#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ile s PHE 2 N 0.00 1.08 0.55 1.12 0.08 -1.26 -4.93 117.98 114.62 1ile s PHE 2 Ca 0.00 0.35 0.05 0.00 0.12 0.00 0.00 56.93 57.46 1ile s PHE 2 Cb 0.00 -3.90 0.04 0.00 -0.57 0.00 0.00 43.02 38.59 1ile s PHE 2 CO 0.00 -3.17 0.42 0.15 -0.10 0.00 0.00 175.22 172.52 1ile s LYS 3 N -5.74 2.25 0.52 0.44 1.02 -1.26 -5.05 119.74 111.93 1ile s LYS 3 Ca 0.73 -2.03 -0.22 0.00 0.02 0.00 0.00 55.97 54.47 1ile s LYS 3 Cb -0.05 -2.11 -0.06 0.00 -0.52 0.00 0.00 37.83 35.09 1ile s LYS 3 CO 0.54 -0.65 1.36 -2.00 -0.92 0.00 0.00 175.35 173.68 1ile s GLU 4 N -4.30 3.29 -0.21 1.68 -6.30 -1.26 -4.95 118.70 106.64 1ile s GLU 4 Ca 0.34 2.24 -0.19 0.00 -2.50 0.00 0.00 54.97 54.86 1ile s GLU 4 Cb -0.02 -2.35 -0.15 0.00 0.00 0.00 0.00 34.13 31.61 1ile s GLU 4 CO 0.21 -1.07 0.05 1.33 0.02 0.00 0.00 175.26 175.81 1ile n VAL 5 N -0.83 1.52 -2.95 3.70 0.24 -1.26 -5.09 118.33 113.65 1ile n VAL 5 Ca 0.09 -0.04 0.01 0.00 -2.04 0.00 0.00 64.34 62.37 1ile n VAL 5 Cb 0.45 -2.08 -0.00 0.00 -1.47 0.00 0.00 33.84 30.73 1ile n VAL 5 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ile n GLY 6 N 1.43 -1.97 3.96 7.63 0.00 -1.26 -4.87 105.19 110.11 1ile n GLY 6 Ca -0.31 -1.38 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 1ile n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ile s GLU 7 N -0.40 2.05 -1.29 1.61 8.01 -1.26 -4.98 118.70 122.44 1ile s GLU 7 Ca 0.00 -0.68 -0.16 0.00 0.01 0.00 0.00 54.97 54.14 1ile s GLU 7 Cb 0.00 -2.29 0.10 0.00 -4.31 0.00 0.00 34.13 27.63 1ile s GLU 7 CO 0.00 -1.21 1.71 -0.35 0.01 0.00 0.00 175.26 175.42 1ile n PRO 8 N -2.77 3.24 -3.10 0.39 -0.04 -1.26 -4.84 135.00 126.62 1ile n PRO 8 Ca 0.10 -3.39 -0.40 0.00 -0.04 0.00 0.00 63.50 59.77 1ile n PRO 8 Cb 0.60 -3.31 -0.01 0.00 -0.04 0.00 0.00 33.50 30.75 1ile n PRO 8 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ile n ASN 9 N 7.06 5.89 -0.28 3.54 5.15 -1.26 -4.93 115.26 130.43 1ile n ASN 9 Ca 0.45 -3.41 -0.05 0.00 -0.60 0.00 0.00 54.58 50.98 1ile n ASN 9 Cb 0.44 -1.16 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1ile n ASN 9 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1ile h PHE 10 N 5.24 -1.11 -0.87 1.20 0.04 -1.88 -2.43 116.94 117.14 1ile h PHE 10 Ca 0.20 0.09 0.22 0.00 2.80 0.00 0.00 57.97 61.28 1ile h PHE 10 Cb 0.63 0.60 -0.13 0.00 2.20 0.00 0.00 35.95 39.24 1ile h PHE 10 CO 0.95 -0.40 0.27 -1.35 -0.60 0.00 0.00 178.31 177.19 1ile h PRO 11 N -0.11 0.26 -0.54 1.51 0.11 -1.86 0.15 132.00 131.52 1ile h PRO 11 Ca 0.26 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.24 1ile h PRO 11 Cb 0.56 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 1ile h PRO 11 CO -0.81 0.17 -0.10 0.87 -0.21 0.00 0.00 178.00 177.92 1ile h LYS 12 N 0.27 1.01 -0.48 1.05 6.56 -1.85 -1.52 116.57 121.60 1ile h LYS 12 Ca 0.54 -0.36 -0.01 0.00 -1.06 0.00 0.00 60.65 59.75 1ile h LYS 12 Cb 1.06 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 32.62 1ile h LYS 12 CO -0.60 1.05 0.25 -0.07 -2.06 0.00 0.00 179.45 178.01 1ile h LEU 13 N 0.90 0.62 -0.69 2.94 3.38 -0.61 -2.31 115.31 119.54 1ile h LEU 13 Ca 0.14 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ile h LEU 13 Cb 0.66 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1ile h LEU 13 CO 0.05 0.55 0.32 -0.33 0.09 0.00 0.00 178.44 179.12 1ile h GLU 14 N 0.64 1.01 0.00 1.13 5.08 -0.69 -0.30 114.58 121.45 1ile h GLU 14 Ca 0.17 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1ile h GLU 14 Cb 0.08 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1ile h GLU 14 CO -0.02 0.80 -0.15 0.93 -1.00 0.00 0.00 179.01 179.57 1ile h GLU 15 N 0.97 0.00 0.36 2.33 5.08 -1.07 -1.63 114.58 120.61 1ile h GLU 15 Ca 0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1ile h GLU 15 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ile h GLU 15 CO -0.03 0.15 -0.17 0.93 -1.00 0.00 0.00 179.01 178.89 1ile h GLU 16 N 0.00 -0.46 -1.01 2.33 5.08 -0.60 -2.87 114.58 117.05 1ile h GLU 16 Ca -0.00 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.62 1ile h GLU 16 Cb 0.40 0.11 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1ile h GLU 16 CO 0.02 -0.31 0.62 0.28 -1.00 0.00 0.00 179.01 178.62 1ile h VAL 17 N -1.07 0.59 0.59 3.13 2.07 -0.96 0.13 116.25 120.73 1ile h VAL 17 Ca -0.05 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1ile h VAL 17 Cb 0.37 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1ile h VAL 17 CO 0.08 0.11 -0.36 0.25 0.02 0.00 0.00 177.57 177.67 1ile h LEU 18 N 0.59 -0.91 -1.30 2.57 5.85 -1.35 0.27 115.31 121.02 1ile h LEU 18 Ca 0.61 0.05 0.22 0.00 0.84 0.00 0.00 57.88 59.61 1ile h LEU 18 Cb 1.19 0.27 -0.09 0.00 0.37 0.00 0.00 40.66 42.40 1ile h LEU 18 CO -0.40 -0.57 0.63 0.00 -0.34 0.00 0.00 178.44 177.76 1ile h ALA 19 N -0.57 2.05 0.24 1.25 0.00 -0.78 0.67 119.26 122.12 1ile h ALA 19 Ca -0.07 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ile h ALA 19 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ile h ALA 19 CO 0.07 -0.41 -0.12 0.35 0.00 0.00 0.00 179.25 179.15 1ile h PHE 20 N 0.51 -0.30 -0.93 0.00 3.57 -0.03 -1.73 116.94 118.04 1ile h PHE 20 Ca 0.55 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.16 1ile h PHE 20 Cb 1.21 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.96 1ile h PHE 20 CO -0.00 0.01 0.56 -1.49 -2.23 0.00 0.00 178.31 175.15 1ile h TRP 21 N -0.61 1.00 -0.50 0.41 6.55 0.13 -1.01 115.95 121.92 1ile h TRP 21 Ca -0.03 0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.74 1ile h TRP 21 Cb 0.44 -0.31 -0.02 0.00 -0.86 0.00 0.00 29.16 28.41 1ile h TRP 21 CO 0.02 0.37 -0.09 -0.22 -1.05 0.00 0.00 178.44 177.46 1ile h LYS 22 N 0.87 0.91 0.47 0.49 3.64 -0.87 -2.65 116.57 119.42 1ile h LYS 22 Ca 0.47 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1ile h LYS 22 Cb 0.51 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1ile h LYS 22 CO -0.28 0.96 -0.22 -0.09 -2.27 0.00 0.00 179.45 177.54 1ile h ARG 23 N 0.82 -0.61 -2.00 1.90 2.43 -0.31 -3.32 114.38 113.29 1ile h ARG 23 Ca 0.14 0.04 -0.72 0.00 -0.81 0.00 0.00 59.98 58.63 1ile h ARG 23 Cb 0.62 0.14 -0.25 0.00 -0.42 0.00 0.00 29.97 30.05 1ile h ARG 23 CO 0.04 -0.40 0.94 -1.91 -1.51 0.00 0.00 179.97 177.13 1ile n GLU 24 N -4.76 2.68 -2.11 0.20 2.13 -0.49 -4.94 120.64 113.35 1ile n GLU 24 Ca -0.08 -3.30 0.00 0.00 0.66 0.00 0.00 57.16 54.44 1ile n GLU 24 Cb 0.25 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.71 1ile n GLU 24 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ile n LYS 25 N -0.27 -0.80 -0.09 5.31 4.01 -1.09 -4.85 118.16 120.38 1ile n LYS 25 Ca 0.53 -0.05 -0.09 0.00 -0.51 0.00 0.00 58.31 58.19 1ile n LYS 25 Cb 0.29 0.10 -0.06 0.00 -0.51 0.00 0.00 35.03 34.85 1ile n LYS 25 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1ile h ILE 26 N 1.01 0.00 -0.68 -0.18 1.08 -1.78 -0.02 117.51 116.95 1ile h ILE 26 Ca 0.00 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.59 1ile h ILE 26 Cb 0.00 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 33.62 1ile h ILE 26 CO 0.00 0.00 -0.32 0.15 -0.69 0.00 0.00 178.15 177.29 1ile h PHE 27 N -0.25 -0.86 -0.16 1.37 3.57 -1.89 0.23 116.94 118.95 1ile h PHE 27 Ca 0.05 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1ile h PHE 27 Cb 0.37 0.48 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 1ile h PHE 27 CO -0.69 -0.38 -0.00 0.37 -2.23 0.00 0.00 178.31 175.38 1ile h GLN 28 N -0.11 0.05 -0.33 1.11 4.15 -1.71 -2.60 115.11 115.66 1ile h GLN 28 Ca 0.27 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.73 1ile h GLN 28 Cb 0.56 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.20 1ile h GLN 28 CO -0.75 0.03 0.08 0.87 -1.93 0.00 0.00 178.83 177.14 1ile h LYS 29 N 0.05 0.20 -0.66 1.69 1.57 0.12 0.14 116.57 119.69 1ile h LYS 29 Ca 0.08 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.97 1ile h LYS 29 Cb 0.10 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 1ile h LYS 29 CO -0.13 0.13 0.18 0.66 -0.57 0.00 0.00 179.45 179.72 1ile h SER 30 N 0.21 0.08 -0.01 0.86 4.64 -0.34 0.78 113.55 119.76 1ile h SER 30 Ca 0.15 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.58 1ile h SER 30 Cb 0.16 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1ile h SER 30 CO -0.19 0.03 -0.04 0.58 -0.87 0.00 0.00 176.83 176.35 1ile h VAL 31 N 0.31 1.47 -0.64 0.95 2.07 -1.15 -3.06 116.25 116.20 1ile h VAL 31 Ca 0.35 -1.45 0.19 0.00 0.82 0.00 0.00 66.70 66.61 1ile h VAL 31 Cb 0.53 2.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.70 1ile h VAL 31 CO -0.41 0.38 0.49 -0.08 0.02 0.00 0.00 177.57 177.97 1ile h GLU 32 N -0.54 0.00 -0.01 1.57 4.81 0.78 -0.83 114.58 120.36 1ile h GLU 32 Ca -0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1ile h GLU 32 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1ile h GLU 32 CO 0.01 0.00 -0.88 -0.91 -0.73 0.00 0.00 179.01 176.50 1ile h ASN 33 N 0.00 0.44 -0.23 1.04 4.21 0.61 -3.20 115.58 118.45 1ile h ASN 33 Ca 0.31 -0.34 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1ile h ASN 33 Cb 1.29 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 1ile h ASN 33 CO -0.00 1.13 0.00 0.54 -1.29 0.00 0.00 177.43 177.81 1ile n ARG 34 N -3.74 1.57 -1.56 0.81 5.12 -0.32 -4.95 116.66 113.58 1ile n ARG 34 Ca -0.05 -0.87 -0.40 0.00 -1.93 0.00 0.00 57.85 54.59 1ile n ARG 34 Cb 0.80 -1.22 0.02 0.00 -1.16 0.00 0.00 32.46 30.91 1ile n ARG 34 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1ile n LYS 35 N 0.19 1.01 0.00 5.56 3.00 -1.21 -0.61 118.16 126.10 1ile n LYS 35 Ca 0.09 0.37 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1ile n LYS 35 Cb 0.21 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.32 1ile n LYS 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ile n GLY 36 N 1.39 2.60 3.96 3.14 0.00 -1.26 -5.01 105.19 110.02 1ile n GLY 36 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1ile n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ile s GLY 37 N -1.96 1.75 -0.05 -0.02 0.00 0.22 -5.00 107.32 102.26 1ile s GLY 37 Ca 0.00 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.06 1ile s GLY 37 CO 0.00 -0.85 1.64 2.56 0.00 0.00 0.00 173.10 176.45 1ile s PRO 38 N -5.23 4.19 0.39 2.90 0.04 -1.26 -4.31 135.00 131.72 1ile s PRO 38 Ca 0.64 2.18 -0.27 0.00 0.04 0.00 0.00 61.00 63.60 1ile s PRO 38 Cb -0.07 -3.95 -0.11 0.00 0.04 0.00 0.00 34.50 30.41 1ile s PRO 38 CO 0.45 -0.83 1.31 -2.13 0.04 0.00 0.00 177.00 175.84 1ile n ARG 39 N 6.99 2.09 -3.78 4.56 3.00 -1.26 -1.33 116.66 126.93 1ile n ARG 39 Ca 0.17 0.74 -0.21 0.00 -0.00 0.00 0.00 57.85 58.55 1ile n ARG 39 Cb 0.43 -2.41 -0.17 0.00 0.00 0.00 0.00 32.46 30.30 1ile n ARG 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1ile s TYR 40 N -1.16 0.42 0.02 -0.14 5.04 0.05 -4.79 117.35 116.79 1ile s TYR 40 Ca 0.58 -0.01 0.08 0.00 -2.44 0.00 0.00 57.07 55.28 1ile s TYR 40 Cb -0.52 -0.63 -0.02 0.00 0.35 0.00 0.00 41.96 41.14 1ile s TYR 40 CO 0.60 -0.25 -0.24 -0.08 -1.34 0.00 0.00 175.55 174.25 1ile s THR 41 N 1.82 1.88 0.12 4.34 -1.32 -1.26 -4.19 115.64 117.03 1ile s THR 41 Ca 0.02 -1.17 0.06 0.00 -1.21 0.00 0.00 61.69 59.39 1ile s THR 41 Cb -0.12 -1.60 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 1ile s THR 41 CO -0.04 0.39 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.93 1ile s VAL 42 N -0.69 1.37 -0.04 5.08 1.01 -1.26 -0.00 120.40 125.87 1ile s VAL 42 Ca 0.09 -1.69 0.05 0.00 0.00 0.00 0.00 61.98 60.43 1ile s VAL 42 Cb -0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1ile s VAL 42 CO 0.01 -0.37 -0.18 -0.31 0.00 0.00 0.00 175.10 174.24 1ile s TYR 43 N -2.01 1.78 -0.27 5.22 2.02 -1.18 -4.86 117.35 118.05 1ile s TYR 43 Ca 0.08 -0.46 -0.10 0.00 -0.37 0.00 0.00 57.07 56.22 1ile s TYR 43 Cb -0.06 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1ile s TYR 43 CO 0.03 -0.13 0.16 -2.00 -1.57 0.00 0.00 175.55 172.04 1ile s GLU 44 N -0.12 3.88 -0.53 -0.62 2.56 -1.26 -4.61 118.70 118.00 1ile s GLU 44 Ca -0.01 -0.36 -0.26 0.00 0.00 0.00 0.00 54.97 54.34 1ile s GLU 44 Cb -0.11 -3.58 -0.05 0.00 2.00 0.00 0.00 34.13 32.40 1ile s GLU 44 CO 0.01 -0.18 2.15 0.20 -0.56 0.00 0.00 175.26 176.88 1ile s GLY 45 N 1.72 -0.09 -0.04 -1.50 0.00 -1.26 -4.84 107.32 101.29 1ile s GLY 45 Ca 0.07 -0.24 -0.38 0.00 0.00 0.00 0.00 44.72 44.18 1ile s GLY 45 CO 0.09 3.79 1.53 -1.55 0.00 0.00 0.00 173.10 176.96 1ile n PRO 46 N 9.06 1.27 -1.95 2.90 -0.04 -1.26 -5.00 135.00 139.98 1ile n PRO 46 Ca 0.29 0.46 -0.15 0.00 -0.04 0.00 0.00 63.50 64.06 1ile n PRO 46 Cb 0.53 -2.14 0.08 0.00 -0.04 0.00 0.00 33.50 31.93 1ile n PRO 46 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1ile n PRO 47 N 3.79 0.19 -3.74 0.54 -0.04 -1.24 -4.29 135.00 130.21 1ile n PRO 47 Ca 0.21 -1.83 -0.21 0.00 -0.04 0.00 0.00 63.50 61.63 1ile n PRO 47 Cb 0.18 -0.42 -0.18 0.00 -0.04 0.00 0.00 33.50 33.05 1ile n PRO 47 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ile s THR 48 N -1.92 0.17 -0.01 0.52 2.01 -1.26 -0.89 115.64 114.26 1ile s THR 48 Ca 0.44 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.62 1ile s THR 48 Cb -0.03 -0.36 -0.25 0.00 0.01 0.00 0.00 72.50 71.88 1ile s THR 48 CO 0.29 0.22 3.53 0.00 -0.69 0.00 0.00 174.62 177.97 1ile n ALA 49 N 5.13 6.27 0.54 7.40 0.00 -1.05 -3.31 120.51 135.49 1ile n ALA 49 Ca -0.07 -1.78 0.06 0.00 0.00 0.00 0.00 53.44 51.64 1ile n ALA 49 Cb 0.50 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 1ile n ALA 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ile n ASN 50 N 2.40 0.89 -4.16 0.00 2.04 -1.19 -1.78 115.26 113.47 1ile n ASN 50 Ca 0.41 -0.95 -0.13 0.00 -0.44 0.00 0.00 54.58 53.47 1ile n ASN 50 Cb 0.89 0.77 -0.10 0.00 -2.53 0.00 0.00 39.78 38.81 1ile n ASN 50 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1ile s GLY 51 N -1.85 1.56 0.07 4.83 0.00 -1.21 -4.90 107.32 105.82 1ile s GLY 51 Ca 0.07 -1.75 0.05 0.00 0.00 0.00 0.00 44.72 43.09 1ile s GLY 51 CO 0.40 -1.44 -0.08 0.48 0.00 0.00 0.00 173.10 172.46 1ile s LEU 52 N -3.20 3.14 0.75 0.66 0.05 -1.26 -4.79 118.68 114.02 1ile s LEU 52 Ca 0.39 -0.27 -0.17 0.00 0.05 0.00 0.00 54.13 54.12 1ile s LEU 52 Cb 0.07 -1.88 -0.13 0.00 -2.05 0.00 0.00 46.19 42.19 1ile s LEU 52 CO 0.13 0.21 -0.34 -0.81 -0.55 0.00 0.00 176.35 174.99 1ile n PRO 53 N 0.99 0.02 -3.77 1.48 -0.04 -1.26 -5.04 135.00 127.38 1ile n PRO 53 Ca -0.14 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 1ile n PRO 53 Cb 0.52 -1.11 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 1ile n PRO 53 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1ile s HIS 54 N -2.00 0.01 0.49 0.54 -3.43 -1.26 -4.93 115.29 104.72 1ile s HIS 54 Ca 0.50 -0.36 -0.22 0.00 -0.80 0.00 0.00 55.06 54.18 1ile s HIS 54 Cb -0.34 0.18 -0.08 0.00 -1.43 0.00 0.00 32.58 30.91 1ile s HIS 54 CO 0.73 -0.74 1.12 1.33 -2.00 0.00 0.00 174.74 175.17 1ile n VAL 55 N -0.23 3.05 0.00 -5.38 0.24 -1.26 0.26 118.33 115.01 1ile n VAL 55 Ca -0.12 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 1ile n VAL 55 Cb 0.63 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.66 1ile n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ile n GLY 56 N 1.05 3.17 0.22 7.63 0.00 -1.26 -4.59 105.19 111.42 1ile n GLY 56 Ca 0.10 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1ile n GLY 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ile h HIS 57 N 0.00 0.88 0.37 1.61 -0.00 -0.60 0.98 115.15 118.38 1ile h HIS 57 Ca 0.00 -0.27 -0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1ile h HIS 57 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 1ile h HIS 57 CO 0.00 1.03 -0.42 0.00 -0.00 0.00 0.00 177.93 178.54 1ile h ALA 58 N 0.70 -0.90 -0.38 2.45 0.00 -1.76 0.70 119.26 120.07 1ile h ALA 58 Ca 0.04 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ile h ALA 58 Cb 0.90 0.63 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 1ile h ALA 58 CO 0.08 -1.05 -0.31 0.37 0.00 0.00 0.00 179.25 178.33 1ile h GLN 59 N -0.83 -0.24 -0.51 0.00 4.15 -1.82 0.52 115.11 116.38 1ile h GLN 59 Ca -0.03 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.50 1ile h GLN 59 Cb 0.75 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.42 1ile h GLN 59 CO -0.10 -0.16 0.10 0.00 -1.93 0.00 0.00 178.83 176.74 1ile h ALA 60 N 0.77 0.58 -0.38 3.38 0.00 -0.58 -1.58 119.26 121.44 1ile h ALA 60 Ca 0.17 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ile h ALA 60 Cb 0.53 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ile h ALA 60 CO -0.52 -0.31 0.06 0.00 0.00 0.00 0.00 179.25 178.48 1ile h ARG 61 N 0.24 0.57 0.40 0.00 -0.00 0.19 -0.93 114.38 114.85 1ile h ARG 61 Ca 0.26 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.98 59.61 1ile h ARG 61 Cb 0.35 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.24 1ile h ARG 61 CO -0.34 0.55 -0.19 0.77 0.00 0.00 0.00 179.97 180.76 1ile h SER 62 N 0.55 -0.45 -0.60 7.04 0.02 0.83 0.27 113.55 121.21 1ile h SER 62 Ca 0.12 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1ile h SER 62 Cb 0.27 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1ile h SER 62 CO 0.00 -0.30 0.34 1.88 -1.14 0.00 0.00 176.83 177.61 1ile h TYR 63 N -0.56 0.82 0.00 3.45 0.05 -1.26 0.16 116.97 119.62 1ile h TYR 63 Ca -0.05 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.62 1ile h TYR 63 Cb 0.43 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1ile h TYR 63 CO -0.04 0.58 -0.45 -0.22 -1.05 0.00 0.00 178.16 176.98 1ile h LYS 64 N 0.81 0.00 0.20 4.88 1.63 -0.97 -3.15 116.57 119.97 1ile h LYS 64 Ca 0.21 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.67 1ile h LYS 64 Cb 0.03 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.67 1ile h LYS 64 CO -0.04 0.45 -1.69 0.22 -3.45 0.00 0.00 179.45 174.94 1ile h ASP 65 N 0.00 0.66 -0.76 4.20 3.58 -0.10 -3.38 116.42 120.62 1ile h ASP 65 Ca -0.00 -0.94 0.18 0.00 0.42 0.00 0.00 57.03 56.69 1ile h ASP 65 Cb 0.92 -0.22 -0.13 0.00 1.72 0.00 0.00 39.33 41.62 1ile h ASP 65 CO 0.06 1.77 0.04 0.25 -2.88 0.00 0.00 179.24 178.48 1ile h LEU 66 N 0.10 -0.28 0.00 2.28 5.85 -0.93 -2.94 115.31 119.39 1ile h LEU 66 Ca -0.33 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1ile h LEU 66 Cb 2.10 0.32 0.00 0.00 0.37 0.00 0.00 40.66 43.46 1ile h LEU 66 CO 0.20 -0.16 -0.00 -0.26 -0.34 0.00 0.00 178.44 177.87 1ile h PHE 67 N 0.13 -0.00 -0.42 1.25 -1.00 -1.72 -1.96 116.94 113.21 1ile h PHE 67 Ca 0.42 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.30 1ile h PHE 67 Cb 0.75 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 1ile h PHE 67 CO -0.39 0.71 0.29 -1.00 -1.61 0.00 0.00 178.31 176.31 1ile h PRO 68 N -0.71 0.14 0.39 1.51 0.13 -1.72 0.35 132.00 132.09 1ile h PRO 68 Ca -0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1ile h PRO 68 Cb 0.71 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1ile h PRO 68 CO 0.00 0.09 -0.19 0.00 -0.23 0.00 0.00 178.00 177.68 1ile h ARG 69 N 0.15 -0.50 -1.11 0.86 3.08 -1.51 0.16 114.38 115.49 1ile h ARG 69 Ca 0.20 0.03 0.31 0.00 0.07 0.00 0.00 59.98 60.59 1ile h ARG 69 Cb 0.59 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.66 1ile h ARG 69 CO -0.03 -0.33 0.74 -0.92 -1.07 0.00 0.00 179.97 178.36 1ile h TYR 70 N -0.58 0.47 -0.02 3.04 3.20 -0.47 0.24 116.97 122.84 1ile h TYR 70 Ca -0.05 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.59 1ile h TYR 70 Cb 0.40 -0.13 0.01 0.00 1.54 0.00 0.00 36.73 38.55 1ile h TYR 70 CO 0.11 0.01 -0.97 0.87 -1.64 0.00 0.00 178.16 176.55 1ile h LYS 71 N 0.25 0.59 -0.07 1.82 1.79 -0.05 -2.76 116.57 118.15 1ile h LYS 71 Ca 0.62 -0.61 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1ile h LYS 71 Cb 1.84 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 32.65 1ile h LYS 71 CO -0.24 1.22 -0.39 1.79 -1.08 0.00 0.00 179.45 180.76 1ile h THR 72 N 0.35 1.30 -0.78 -0.16 1.35 0.24 -1.09 112.91 114.11 1ile h THR 72 Ca -0.10 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 1ile h THR 72 Cb 1.61 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 69.68 1ile h THR 72 CO 0.18 0.42 0.36 0.24 -0.25 0.00 0.00 175.52 176.47 1ile h MET 73 N 0.12 1.13 -0.02 4.72 2.86 -1.26 0.15 114.93 122.62 1ile h MET 73 Ca 0.01 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1ile h MET 73 Cb 0.75 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1ile h MET 73 CO 0.06 0.88 0.00 0.54 1.06 0.00 0.00 176.91 179.45 1ile n ARG 74 N -4.31 0.88 -2.08 1.72 1.74 -0.47 -1.24 116.66 112.91 1ile n ARG 74 Ca 0.07 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.12 1ile n ARG 74 Cb 0.15 -1.01 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1ile n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ile n GLY 75 N 0.37 0.38 3.33 -0.13 0.00 0.51 -4.93 105.19 104.72 1ile n GLY 75 Ca 0.00 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 1ile n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ile s TYR 76 N -3.08 2.12 -0.62 1.61 1.51 -0.99 -4.25 117.35 113.65 1ile s TYR 76 Ca 0.05 -0.40 -0.25 0.00 -1.01 0.00 0.00 57.07 55.46 1ile s TYR 76 Cb -0.01 -1.21 0.05 0.00 -0.11 0.00 0.00 41.96 40.68 1ile s TYR 76 CO 0.15 0.20 1.05 -0.47 -1.11 0.00 0.00 175.55 175.37 1ile s TYR 77 N -0.95 2.63 -0.62 2.71 5.04 -0.44 -4.36 117.35 121.36 1ile s TYR 77 Ca 0.11 -0.12 0.06 0.00 -2.44 0.00 0.00 57.07 54.67 1ile s TYR 77 Cb -0.10 -4.30 0.27 0.00 0.35 0.00 0.00 41.96 38.18 1ile s TYR 77 CO 0.04 -1.61 0.78 0.00 -1.34 0.00 0.00 175.55 173.42 1ile n ALA 78 N 8.03 4.16 -1.39 3.97 0.00 -1.26 -0.77 120.51 133.24 1ile n ALA 78 Ca 0.01 -4.74 -0.33 0.00 0.00 0.00 0.00 53.44 48.39 1ile n ALA 78 Cb 0.47 -0.87 0.07 0.00 0.00 0.00 0.00 19.45 19.12 1ile n ALA 78 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ile s PRO 79 N -2.65 2.50 0.03 0.00 0.04 -1.26 -4.98 135.00 128.68 1ile s PRO 79 Ca 0.42 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1ile s PRO 79 Cb 0.17 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1ile s PRO 79 CO -0.04 -1.49 -0.13 1.03 0.04 0.00 0.00 177.00 176.41 1ile s ARG 80 N -4.26 0.92 0.02 4.56 3.00 -1.26 -4.73 118.95 117.20 1ile s ARG 80 Ca 0.67 -0.69 -0.00 0.00 0.00 0.00 0.00 55.73 55.71 1ile s ARG 80 Cb -0.21 -0.91 -0.02 0.00 0.00 0.00 0.00 34.95 33.81 1ile s ARG 80 CO 0.46 0.23 -0.03 0.50 0.00 0.00 0.00 175.30 176.46 1ile s ARG 81 N -0.99 0.34 0.32 3.54 3.52 -1.26 -2.37 118.95 122.05 1ile s ARG 81 Ca 0.02 -0.66 0.09 0.00 -0.13 0.00 0.00 55.73 55.05 1ile s ARG 81 Cb -0.07 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.38 1ile s ARG 81 CO 0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 175.30 174.44 1ile s ALA 82 N -1.67 3.16 0.22 6.12 0.00 -0.97 -4.68 121.76 123.94 1ile s ALA 82 Ca -0.14 -1.89 -0.17 0.00 0.00 0.00 0.00 51.96 49.75 1ile s ALA 82 Cb -0.08 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1ile s ALA 82 CO -0.02 0.12 0.56 0.20 0.00 0.00 0.00 175.76 176.62 1ile s GLY 83 N -3.69 0.02 -0.03 0.00 0.00 -1.26 0.07 107.32 102.42 1ile s GLY 83 Ca 0.34 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.77 1ile s GLY 83 CO 0.19 -0.29 -0.21 -0.98 0.00 0.00 0.00 173.10 171.81 1ile s TRP 84 N -3.91 1.97 -0.63 1.90 0.52 0.20 -3.71 118.94 115.29 1ile s TRP 84 Ca 0.12 -0.45 -0.17 0.00 0.02 0.00 0.00 56.10 55.62 1ile s TRP 84 Cb -0.02 -1.28 0.13 0.00 -1.15 0.00 0.00 33.47 31.15 1ile s TRP 84 CO 0.01 -0.09 0.65 0.34 0.02 0.00 0.00 176.95 177.88 1ile s ASP 85 N -0.33 6.30 -0.35 2.95 2.15 -0.07 -1.66 116.67 125.66 1ile s ASP 85 Ca 0.04 -1.81 0.09 0.00 0.43 0.00 0.00 52.55 51.29 1ile s ASP 85 Cb -0.10 -2.25 0.74 0.00 -0.30 0.00 0.00 42.92 41.01 1ile s ASP 85 CO 0.01 -0.92 1.84 0.35 -0.17 0.00 0.00 175.17 176.28 1ile n THR 86 N 5.17 3.01 -4.29 1.71 -2.24 -1.26 -4.54 114.28 111.83 1ile n THR 86 Ca -0.06 -1.68 -0.18 0.00 -2.27 0.00 0.00 64.05 59.86 1ile n THR 86 Cb 0.42 -0.38 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 1ile n THR 86 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ile n HIS 87 N -0.32 -0.43 -0.61 4.78 8.25 -1.26 -4.78 115.22 120.85 1ile n HIS 87 Ca 0.45 -2.31 0.00 0.00 -0.26 0.00 0.00 57.72 55.60 1ile n HIS 87 Cb 1.46 0.17 0.00 0.00 1.12 0.00 0.00 29.99 32.74 1ile n HIS 87 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ile n GLY 88 N -0.48 -2.33 0.37 -1.41 0.00 -0.80 -4.16 105.19 96.38 1ile n GLY 88 Ca 0.03 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.63 1ile n GLY 88 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ile h LEU 89 N 0.00 0.71 -0.09 0.99 3.38 -1.95 -0.40 115.31 117.95 1ile h LEU 89 Ca 0.00 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ile h LEU 89 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ile h LEU 89 CO 0.00 0.29 -0.01 -0.65 0.09 0.00 0.00 178.44 178.16 1ile h PRO 90 N 0.72 0.01 0.19 1.13 0.11 -1.98 0.66 132.00 132.84 1ile h PRO 90 Ca 0.53 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.63 1ile h PRO 90 Cb 0.88 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 1ile h PRO 90 CO -0.30 0.01 -0.11 0.28 -0.21 0.00 0.00 178.00 177.67 1ile h VAL 91 N 0.01 0.76 -0.98 3.15 2.07 -1.52 -2.98 116.25 116.77 1ile h VAL 91 Ca 0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.67 1ile h VAL 91 Cb 0.06 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1ile h VAL 91 CO -0.09 0.00 0.61 -0.33 0.02 0.00 0.00 177.57 177.78 1ile h GLU 92 N -0.29 0.98 0.00 1.57 5.08 -0.58 -1.60 114.58 119.74 1ile h GLU 92 Ca -0.02 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1ile h GLU 92 Cb 0.24 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ile h GLU 92 CO 0.02 0.65 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.47 1ile h LEU 93 N 1.01 0.00 0.09 1.33 4.07 0.47 -0.04 115.31 122.24 1ile h LEU 93 Ca 0.47 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 58.21 1ile h LEU 93 Cb 0.40 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1ile h LEU 93 CO -0.24 0.13 -1.08 -0.33 -1.08 0.00 0.00 178.44 175.84 1ile h GLU 94 N 0.00 0.18 0.00 1.13 4.39 -1.23 -3.04 114.58 116.02 1ile h GLU 94 Ca -0.00 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1ile h GLU 94 Cb 0.48 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1ile h GLU 94 CO 0.02 1.15 0.00 0.28 -1.16 0.00 0.00 179.01 179.30 1ile n VAL 95 N -4.13 0.82 0.01 3.13 0.31 -0.80 -1.19 118.33 116.49 1ile n VAL 95 Ca -0.22 0.20 -0.21 0.00 -0.01 0.00 0.00 64.34 64.10 1ile n VAL 95 Cb 0.80 -1.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.58 1ile n VAL 95 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1ile h GLU 96 N 0.00 0.25 0.00 5.55 5.08 -1.05 -3.22 114.58 121.19 1ile h GLU 96 Ca 0.00 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 1ile h GLU 96 Cb 0.14 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1ile h GLU 96 CO 0.00 1.20 -0.24 0.87 -1.00 0.00 0.00 179.01 179.84 1ile h LYS 97 N -0.31 0.00 0.05 2.33 1.57 -1.05 0.55 116.57 119.71 1ile h LYS 97 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 1ile h LYS 97 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.06 1ile h LYS 97 CO 0.06 0.24 -0.02 0.87 -0.57 0.00 0.00 179.45 180.03 1ile h LYS 98 N 0.00 -0.06 0.00 3.15 1.57 -1.29 -3.31 116.57 116.63 1ile h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ile h LYS 98 Cb 0.70 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1ile h LYS 98 CO 0.03 -0.04 0.00 1.28 -0.57 0.00 0.00 179.45 180.15 1ile n LEU 99 N -2.87 0.00 0.00 2.94 4.77 -1.22 -4.80 117.00 115.83 1ile n LEU 99 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1ile n LEU 99 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ile n LEU 99 CO 0.02 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1ile n GLY 100 N -0.75 0.34 3.77 -0.72 0.00 -0.78 -5.02 105.19 102.03 1ile n GLY 100 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ile n GLY 100 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ile s LEU 101 N 0.00 3.60 0.00 0.99 2.01 0.12 -4.96 118.68 120.43 1ile s LEU 101 Ca 0.00 2.10 0.00 0.00 0.01 0.00 0.00 54.13 56.24 1ile s LEU 101 Cb 0.00 -4.57 0.00 0.00 0.01 0.00 0.00 46.19 41.63 1ile s LEU 101 CO 0.00 -1.39 0.14 0.29 1.01 0.00 0.00 176.35 176.40 1ile n LYS 102 N -1.77 1.20 -3.60 1.70 5.02 -1.26 -4.46 118.16 114.99 1ile n LYS 102 Ca 0.11 -0.14 -0.11 0.00 -2.02 0.00 0.00 58.31 56.15 1ile n LYS 102 Cb 0.51 -0.53 -0.05 0.00 -0.02 0.00 0.00 35.03 34.95 1ile n LYS 102 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ile s SER 103 N -0.21 -0.31 0.59 4.39 1.04 -1.26 -5.02 113.70 112.92 1ile s SER 103 Ca 0.00 -0.17 0.29 0.00 0.48 0.00 0.00 55.95 56.55 1ile s SER 103 Cb 0.00 0.49 1.80 0.00 0.10 0.00 0.00 66.02 68.41 1ile s SER 103 CO 0.00 -0.83 2.25 0.11 0.98 0.00 0.00 173.24 175.75 1ile h LYS 104 N 2.45 0.00 -0.15 4.02 1.57 -1.88 0.30 116.57 122.89 1ile h LYS 104 Ca -0.33 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.32 1ile h LYS 104 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ile h LYS 104 CO 0.45 0.00 -0.41 0.00 -0.57 0.00 0.00 179.45 178.92 1ile h ARG 105 N 0.00 0.54 -0.58 3.15 3.08 -1.97 -0.97 114.38 117.62 1ile h ARG 105 Ca -0.00 -0.38 -0.04 0.00 0.07 0.00 0.00 59.98 59.63 1ile h ARG 105 Cb 0.01 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1ile h ARG 105 CO 0.00 1.00 0.20 0.93 -1.07 0.00 0.00 179.97 181.03 1ile h GLU 106 N 0.17 0.89 -0.32 0.04 5.08 -1.44 -0.41 114.58 118.59 1ile h GLU 106 Ca -0.01 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1ile h GLU 106 Cb 1.03 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1ile h GLU 106 CO 0.09 0.79 0.14 0.82 -1.00 0.00 0.00 179.01 179.84 1ile h ILE 107 N 0.82 0.95 0.00 3.13 2.04 -1.00 0.21 117.51 123.66 1ile h ILE 107 Ca 0.19 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1ile h ILE 107 Cb 0.25 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1ile h ILE 107 CO -0.01 0.05 -0.04 -0.33 0.00 0.00 0.00 178.15 177.83 1ile h GLU 108 N 0.29 0.00 0.53 2.37 4.39 -0.71 -2.86 114.58 118.60 1ile h GLU 108 Ca 0.14 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1ile h GLU 108 Cb 0.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1ile h GLU 108 CO -0.12 0.04 -0.26 0.00 -1.16 0.00 0.00 179.01 177.51 1ile h ALA 109 N 1.96 -0.87 -1.15 3.43 0.00 0.10 -3.06 119.26 119.67 1ile h ALA 109 Ca -0.00 -0.16 0.38 0.00 0.00 0.00 0.00 54.91 55.13 1ile h ALA 109 Cb 0.07 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 18.00 1ile h ALA 109 CO 0.00 -0.82 0.71 -0.92 0.00 0.00 0.00 179.25 178.22 1ile h TYR 110 N -0.96 0.70 0.00 0.00 3.20 -0.79 -3.46 116.97 115.66 1ile h TYR 110 Ca -0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1ile h TYR 110 Cb 0.55 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1ile h TYR 110 CO 0.04 -0.19 0.00 0.41 -1.64 0.00 0.00 178.16 176.78 1ile n GLY 111 N -1.42 3.92 0.22 1.82 0.00 -1.09 -4.81 105.19 103.84 1ile n GLY 111 Ca 0.34 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1ile n GLY 111 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ile h ILE 112 N 0.00 0.60 -1.01 -0.61 2.04 -1.76 -0.15 117.51 116.61 1ile h ILE 112 Ca 0.00 -0.60 0.24 0.00 1.00 0.00 0.00 64.86 65.50 1ile h ILE 112 Cb 0.00 0.87 -0.11 0.00 -0.74 0.00 0.00 36.82 36.84 1ile h ILE 112 CO 0.00 0.10 0.62 -0.08 0.00 0.00 0.00 178.15 178.79 1ile h GLU 113 N -0.84 0.55 0.21 2.37 4.81 -1.96 -0.28 114.58 119.43 1ile h GLU 113 Ca -0.05 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1ile h GLU 113 Cb 0.53 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1ile h GLU 113 CO 0.08 0.36 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.53 1ile h ARG 114 N 0.56 -0.27 -0.92 1.92 9.65 -1.85 -2.25 114.38 121.23 1ile h ARG 114 Ca 0.62 0.02 0.25 0.00 -1.10 0.00 0.00 59.98 59.76 1ile h ARG 114 Cb 1.24 0.06 -0.16 0.00 -1.39 0.00 0.00 29.97 29.72 1ile h ARG 114 CO -0.41 -0.18 0.08 0.35 2.80 0.00 0.00 179.97 182.62 1ile h PHE 115 N -0.35 0.06 -0.41 2.20 3.57 -0.30 0.34 116.94 122.05 1ile h PHE 115 Ca -0.03 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ile h PHE 115 Cb 0.21 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1ile h PHE 115 CO 0.12 -0.35 0.21 -0.91 -2.23 0.00 0.00 178.31 175.16 1ile h ASN 116 N 0.07 0.52 -0.45 0.41 2.35 -1.10 -1.00 115.58 116.38 1ile h ASN 116 Ca 0.56 -0.10 0.05 0.00 -0.55 0.00 0.00 56.30 56.25 1ile h ASN 116 Cb 1.13 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 1ile h ASN 116 CO -0.81 0.47 0.30 1.56 -1.65 0.00 0.00 177.43 177.30 1ile h GLN 117 N 0.52 0.41 0.00 0.81 4.20 0.27 0.82 115.11 122.15 1ile h GLN 117 Ca 0.14 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.75 1ile h GLN 117 Cb 0.08 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1ile h GLN 117 CO -0.02 0.27 -0.35 0.00 -0.67 0.00 0.00 178.83 178.07 1ile h ALA 118 N 1.75 1.03 -0.02 3.87 0.00 -0.40 -2.48 119.26 123.00 1ile h ALA 118 Ca 0.19 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ile h ALA 118 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ile h ALA 118 CO -0.05 0.43 -0.18 0.00 0.00 0.00 0.00 179.25 179.45 1ile h ARG 120 N -0.45 0.68 0.20 0.00 2.43 0.15 -2.91 114.38 114.48 1ile h ARG 120 Ca -0.02 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1ile h ARG 120 Cb 0.88 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1ile h ARG 120 CO 0.04 0.45 -0.10 0.93 -1.51 0.00 0.00 179.97 179.78 1ile h GLU 121 N 0.70 -0.26 -1.46 0.20 5.08 -1.49 -3.35 114.58 114.01 1ile h GLU 121 Ca 0.43 0.02 0.44 0.00 -1.00 0.00 0.00 59.36 59.25 1ile h GLU 121 Cb 0.66 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 1ile h GLU 121 CO -0.19 -0.01 1.03 -1.13 -1.00 0.00 0.00 179.01 177.71 1ile n SER 122 N -4.95 0.05 0.19 1.42 3.41 -1.00 -0.97 113.62 111.77 1ile n SER 122 Ca -0.05 0.89 0.04 0.00 -0.26 0.00 0.00 58.87 59.48 1ile n SER 122 Cb 0.19 -0.44 0.35 0.00 -0.26 0.00 0.00 64.21 64.05 1ile n SER 122 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1ile h VAL 123 N 0.00 1.05 -0.02 -3.33 -1.51 -1.69 -3.26 116.25 107.49 1ile h VAL 123 Ca 0.74 -1.48 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 1ile h VAL 123 Cb 2.83 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 33.84 1ile h VAL 123 CO -0.11 0.39 -0.14 0.49 -1.23 0.00 0.00 177.57 176.96 1ile n PHE 124 N -3.73 0.00 -0.30 5.19 3.72 -0.15 -2.52 117.46 119.67 1ile n PHE 124 Ca -0.01 0.00 0.23 0.00 -0.05 0.00 0.00 57.45 57.62 1ile n PHE 124 Cb 0.48 0.00 0.54 0.00 -0.94 0.00 0.00 39.48 39.56 1ile n PHE 124 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1ile h THR 125 N 3.41 0.55 -0.60 4.37 1.35 -1.56 -0.11 112.91 120.32 1ile h THR 125 Ca 0.00 -0.12 -0.38 0.00 -0.55 0.00 0.00 66.41 65.37 1ile h THR 125 Cb 0.80 0.17 -0.23 0.00 -1.73 0.00 0.00 68.15 67.16 1ile h THR 125 CO 0.00 0.06 -0.03 -1.22 -0.25 0.00 0.00 175.52 174.08 1ile n TYR 126 N -4.54 1.97 0.17 4.73 4.02 -0.73 -4.76 117.16 118.02 1ile n TYR 126 Ca 0.24 -2.02 -0.14 0.00 -0.01 0.00 0.00 57.90 55.97 1ile n TYR 126 Cb 0.87 -0.66 -0.07 0.00 -0.02 0.00 0.00 39.34 39.46 1ile n TYR 126 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1ile h GLU 127 N 1.43 -0.43 -0.43 -0.72 4.81 -1.21 -2.14 114.58 115.90 1ile h GLU 127 Ca 0.35 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.60 1ile h GLU 127 Cb 1.58 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 31.04 1ile h GLU 127 CO 0.73 -0.28 0.20 0.87 -0.73 0.00 0.00 179.01 179.80 1ile h LYS 128 N -0.44 0.59 0.00 1.92 1.79 -1.86 -0.85 116.57 117.72 1ile h LYS 128 Ca -0.02 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1ile h LYS 128 Cb 0.38 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1ile h LYS 128 CO 0.01 0.47 0.00 -0.85 -1.08 0.00 0.00 179.45 178.00 1ile n GLU 129 N -4.39 0.05 -0.08 3.15 0.00 -1.11 -2.89 120.64 115.38 1ile n GLU 129 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 57.16 57.14 1ile n GLU 129 Cb 0.13 -1.56 -0.07 0.00 0.00 0.00 0.00 31.44 29.93 1ile n GLU 129 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.13 175.64 1ile h TRP 130 N 0.00 0.00 0.00 -1.84 4.06 -0.53 -3.24 115.95 114.39 1ile h TRP 130 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ile h TRP 130 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1ile h TRP 130 CO 0.00 0.69 0.00 -0.85 -3.56 0.00 0.00 178.44 174.72 1ile n GLU 131 N -4.60 0.67 0.00 0.49 0.28 -0.45 -0.68 120.64 116.35 1ile n GLU 131 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1ile n GLU 131 Cb 0.38 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 32.00 1ile n GLU 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ile n ALA 132 N 0.41 1.39 -0.05 -1.84 0.00 -1.14 -4.51 120.51 114.76 1ile n ALA 132 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ile n ALA 132 Cb 0.25 0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 1ile n ALA 132 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ile h PHE 133 N 0.00 -0.02 -0.66 0.00 3.57 -0.93 -1.80 116.94 117.11 1ile h PHE 133 Ca 0.00 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1ile h PHE 133 Cb 0.37 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.01 1ile h PHE 133 CO 0.00 0.77 0.01 1.15 -2.23 0.00 0.00 178.31 178.01 1ile h THR 134 N -0.90 0.46 -0.24 4.41 2.02 -1.29 -1.90 112.91 115.46 1ile h THR 134 Ca -0.00 -0.04 -0.19 0.00 0.77 0.00 0.00 66.41 66.95 1ile h THR 134 Cb 0.79 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1ile h THR 134 CO 0.00 0.02 -0.58 -0.08 0.37 0.00 0.00 175.52 175.25 1ile h GLU 135 N 0.12 0.78 -0.12 6.66 4.81 -1.79 -1.79 114.58 123.25 1ile h GLU 135 Ca 0.35 -0.52 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1ile h GLU 135 Cb 0.57 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1ile h GLU 135 CO -0.56 1.14 0.01 -0.09 -0.73 0.00 0.00 179.01 178.78 1ile h ARG 136 N 0.59 0.20 -7.36 1.92 9.65 -0.69 -3.39 114.38 115.30 1ile h ARG 136 Ca 0.00 -0.06 -0.50 0.00 -1.10 0.00 0.00 59.98 58.32 1ile h ARG 136 Cb 1.18 -0.02 0.10 0.00 -1.39 0.00 0.00 29.97 29.84 1ile h ARG 136 CO 0.12 0.42 0.36 0.96 2.80 0.00 0.00 179.97 184.63 1ile s ILE 137 N -5.08 3.70 -0.39 1.20 -4.36 -0.77 -4.71 121.20 110.79 1ile s ILE 137 Ca -0.14 0.55 -0.05 0.00 -0.26 0.00 0.00 60.65 60.75 1ile s ILE 137 Cb 0.05 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.45 1ile s ILE 137 CO 0.70 -0.72 3.01 0.00 0.24 0.00 0.00 174.94 178.17 1ile n ALA 138 N -3.25 6.48 -2.45 2.27 0.00 -1.26 -4.79 120.51 117.52 1ile n ALA 138 Ca 0.07 -2.76 -0.39 0.00 0.00 0.00 0.00 53.44 50.37 1ile n ALA 138 Cb 0.54 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 17.71 1ile n ALA 138 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ile s TYR 139 N -0.83 2.48 -0.45 0.00 5.04 -0.67 -4.89 117.35 118.03 1ile s TYR 139 Ca 0.61 -0.84 -0.28 0.00 -2.44 0.00 0.00 57.07 54.12 1ile s TYR 139 Cb 0.35 -4.56 -0.00 0.00 0.35 0.00 0.00 41.96 38.10 1ile s TYR 139 CO -0.15 -1.76 1.59 -1.58 -1.34 0.00 0.00 175.55 172.31 1ile s TRP 140 N 6.02 2.09 -0.02 4.97 0.52 -1.26 -4.59 118.94 126.67 1ile s TRP 140 Ca 0.55 0.63 -0.12 0.00 0.02 0.00 0.00 56.10 57.17 1ile s TRP 140 Cb 0.01 -4.25 0.02 0.00 -1.15 0.00 0.00 33.47 28.10 1ile s TRP 140 CO 0.02 -2.31 0.26 0.54 0.02 0.00 0.00 176.95 175.48 1ile s VAL 141 N 6.53 0.06 -0.20 4.03 0.11 -1.26 -4.88 120.40 124.78 1ile s VAL 141 Ca 0.65 -0.47 -0.29 0.00 -2.93 0.00 0.00 61.98 58.95 1ile s VAL 141 Cb -0.15 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1ile s VAL 141 CO 0.29 -0.26 1.16 -0.62 -3.33 0.00 0.00 175.10 172.35 1ile s ASP 142 N -1.14 7.01 -0.00 3.54 -1.08 -1.00 -4.88 116.67 119.12 1ile s ASP 142 Ca -0.12 1.53 0.03 0.00 -0.52 0.00 0.00 52.55 53.47 1ile s ASP 142 Cb -0.05 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.83 1ile s ASP 142 CO 0.03 -0.73 0.06 -0.11 0.52 0.00 0.00 175.17 174.94 1ile n LEU 143 N 6.51 0.00 0.02 -1.34 0.00 -1.26 -2.30 117.00 118.63 1ile n LEU 143 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 56.01 56.18 1ile n LEU 143 Cb 0.45 0.00 0.42 0.00 0.00 0.00 0.00 43.42 44.30 1ile n LEU 143 CO 0.54 0.00 1.12 1.05 0.00 0.00 0.00 177.39 180.10 1ile h GLU 144 N 0.00 0.49 -1.43 1.96 4.11 -1.99 -2.85 114.58 114.88 1ile h GLU 144 Ca -0.00 -0.04 -0.61 0.00 0.07 0.00 0.00 59.36 58.78 1ile h GLU 144 Cb 0.12 -0.10 -0.39 0.00 0.50 0.00 0.00 28.75 28.88 1ile h GLU 144 CO 0.00 0.36 -0.42 -0.40 0.07 0.00 0.00 179.01 178.62 1ile n ASP 145 N -4.45 5.28 -4.77 3.06 5.75 -1.26 -5.05 116.55 115.11 1ile n ASP 145 Ca 0.02 -3.75 -0.33 0.00 -0.01 0.00 0.00 54.79 50.73 1ile n ASP 145 Cb 0.09 -0.55 0.05 0.00 -1.03 0.00 0.00 41.12 39.68 1ile n ASP 145 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ile s ALA 146 N -3.64 2.48 0.30 2.12 0.00 -1.08 -4.78 121.76 117.16 1ile s ALA 146 Ca 0.50 0.53 0.04 0.00 0.00 0.00 0.00 51.96 53.02 1ile s ALA 146 Cb 0.41 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1ile s ALA 146 CO -0.17 -1.27 0.45 1.52 0.00 0.00 0.00 175.76 176.29 1ile s TYR 147 N -2.37 3.41 -0.08 0.00 -0.85 0.11 -4.92 117.35 112.65 1ile s TYR 147 Ca 0.67 0.08 -0.03 0.00 -0.52 0.00 0.00 57.07 57.27 1ile s TYR 147 Cb -0.20 -1.77 0.04 0.00 0.38 0.00 0.00 41.96 40.41 1ile s TYR 147 CO 0.42 0.23 0.16 0.00 -1.52 0.00 0.00 175.55 174.84 1ile s ALA 148 N -2.14 -0.25 0.51 9.51 0.00 -1.26 0.63 121.76 128.75 1ile s ALA 148 Ca 0.38 0.66 0.31 0.00 0.00 0.00 0.00 51.96 53.31 1ile s ALA 148 Cb -0.09 -0.61 1.67 0.00 0.00 0.00 0.00 23.12 24.09 1ile s ALA 148 CO 0.32 -0.32 1.93 1.79 0.00 0.00 0.00 175.76 179.48 1ile h THR 149 N 6.17 0.00 -0.03 0.00 1.35 -1.70 0.60 112.91 119.31 1ile h THR 149 Ca -0.32 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1ile h THR 149 Cb 1.13 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1ile h THR 149 CO 0.31 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.58 1ile n LEU 150 N -2.77 0.86 -4.75 3.87 -0.00 -1.26 -4.55 117.00 108.40 1ile n LEU 150 Ca -0.02 -0.30 -0.40 0.00 -0.00 0.00 0.00 56.01 55.28 1ile n LEU 150 Cb 0.27 -0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.62 1ile n LEU 150 CO 0.14 0.15 0.61 -1.61 -0.00 0.00 0.00 177.39 176.67 1ile s GLU 151 N -1.97 4.72 0.16 1.47 2.02 0.20 -4.94 118.70 120.35 1ile s GLU 151 Ca 0.40 1.37 -0.29 0.00 0.02 0.00 0.00 54.97 56.47 1ile s GLU 151 Cb 0.20 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 1ile s GLU 151 CO 0.33 0.41 1.55 -1.35 0.02 0.00 0.00 175.26 176.21 1ile h PRO 152 N 4.80 -0.16 -0.88 0.39 0.11 -1.90 0.27 132.00 134.62 1ile h PRO 152 Ca -0.45 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.77 1ile h PRO 152 Cb 1.21 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1ile h PRO 152 CO 0.69 -0.11 0.57 1.79 -0.21 0.00 0.00 178.00 180.74 1ile h THR 153 N -0.17 0.96 0.00 -1.15 1.35 -1.96 0.44 112.91 112.39 1ile h THR 153 Ca 0.16 -0.30 -0.08 0.00 -0.55 0.00 0.00 66.41 65.64 1ile h THR 153 Cb 0.52 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.94 1ile h THR 153 CO -0.79 0.16 -0.38 0.22 -0.25 0.00 0.00 175.52 174.48 1ile h TYR 154 N 0.87 0.00 0.04 4.73 5.03 -0.74 -2.00 116.97 124.89 1ile h TYR 154 Ca 0.41 0.00 -0.23 0.00 2.58 0.00 0.00 58.73 61.49 1ile h TYR 154 Cb 0.42 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.68 1ile h TYR 154 CO -0.00 0.38 -1.08 0.82 -1.32 0.00 0.00 178.16 176.95 1ile h ILE 155 N 0.00 1.64 -0.26 1.81 2.04 0.51 -2.98 117.51 120.27 1ile h ILE 155 Ca -0.00 -3.31 -0.03 0.00 1.00 0.00 0.00 64.86 62.52 1ile h ILE 155 Cb 0.71 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1ile h ILE 155 CO 0.05 0.95 0.06 -0.08 0.00 0.00 0.00 178.15 179.13 1ile h GLU 156 N 0.02 0.43 -0.02 2.37 4.81 0.35 1.00 114.58 123.53 1ile h GLU 156 Ca -0.05 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 1ile h GLU 156 Cb 1.83 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 1ile h GLU 156 CO 0.15 0.53 -0.27 0.77 -0.73 0.00 0.00 179.01 179.46 1ile h SER 157 N 0.25 0.04 0.08 1.04 0.02 -1.47 -0.85 113.55 112.67 1ile h SER 157 Ca 0.08 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1ile h SER 157 Cb 0.29 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1ile h SER 157 CO 0.00 0.31 -0.06 0.40 -1.14 0.00 0.00 176.83 176.34 1ile h ILE 158 N 0.04 0.86 -0.55 3.27 1.08 -1.09 -0.60 117.51 120.52 1ile h ILE 158 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.56 1ile h ILE 158 Cb 0.50 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 35.04 1ile h ILE 158 CO 0.04 0.00 0.18 -0.50 -0.69 0.00 0.00 178.15 177.18 1ile h TRP 159 N -0.15 0.32 -0.54 1.37 4.06 -0.06 0.07 115.95 121.02 1ile h TRP 159 Ca -0.00 0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.08 1ile h TRP 159 Cb 0.14 -0.06 -0.08 0.00 -1.00 0.00 0.00 29.16 28.16 1ile h TRP 159 CO -0.09 0.07 0.10 2.35 -3.56 0.00 0.00 178.44 177.31 1ile h TRP 160 N 0.35 0.15 0.18 0.49 7.01 -0.50 0.13 115.95 123.76 1ile h TRP 160 Ca 0.27 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 1ile h TRP 160 Cb 0.33 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1ile h TRP 160 CO -0.18 -0.03 -0.09 0.66 -2.79 0.00 0.00 178.44 176.01 1ile h SER 161 N 0.23 -0.20 -0.62 2.65 4.64 0.46 -1.90 113.55 118.80 1ile h SER 161 Ca 0.28 -0.04 0.05 0.00 -0.47 0.00 0.00 61.79 61.61 1ile h SER 161 Cb 0.40 0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 1ile h SER 161 CO -0.38 -0.09 0.34 -0.07 -0.87 0.00 0.00 176.83 175.76 1ile h LEU 162 N -0.30 0.50 -1.32 5.97 3.38 0.75 0.59 115.31 124.88 1ile h LEU 162 Ca -0.02 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ile h LEU 162 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ile h LEU 162 CO 0.04 0.33 -0.10 0.50 0.09 0.00 0.00 178.44 179.30 1ile h LYS 163 N 0.64 0.34 0.62 1.13 3.64 -0.81 -0.09 116.57 122.03 1ile h LYS 163 Ca 0.28 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1ile h LYS 163 Cb 0.17 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1ile h LYS 163 CO -0.17 0.45 -0.30 -0.97 -2.27 0.00 0.00 179.45 176.19 1ile h ASN 164 N 0.32 -0.70 -0.75 4.20 -1.24 -0.10 -0.08 115.58 117.24 1ile h ASN 164 Ca 0.07 0.01 0.06 0.00 0.71 0.00 0.00 56.30 57.15 1ile h ASN 164 Cb 0.38 0.18 -0.05 0.00 0.73 0.00 0.00 38.32 39.56 1ile h ASN 164 CO 0.02 -0.48 0.49 -0.07 -1.29 0.00 0.00 177.43 176.10 1ile h LEU 165 N -0.86 0.70 0.62 0.34 3.38 -0.64 -1.78 115.31 117.07 1ile h LEU 165 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1ile h LEU 165 Cb 0.65 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ile h LEU 165 CO 0.14 0.46 -0.30 0.15 0.09 0.00 0.00 178.44 178.98 1ile h PHE 166 N 0.80 -0.77 -1.00 1.13 3.57 -0.81 0.30 116.94 120.16 1ile h PHE 166 Ca 0.32 -0.02 0.28 0.00 3.53 0.00 0.00 57.97 62.08 1ile h PHE 166 Cb 0.22 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1ile h PHE 166 CO -0.00 -0.48 0.71 -0.44 -2.23 0.00 0.00 178.31 175.87 1ile h ASP 167 N -1.02 0.08 -0.23 0.41 5.19 -0.77 1.04 116.42 121.12 1ile h ASP 167 Ca -0.08 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 1ile h ASP 167 Cb 0.64 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1ile h ASP 167 CO 0.14 0.02 0.00 0.54 -3.12 0.00 0.00 179.24 176.82 1ile n ARG 168 N -4.29 1.56 -2.76 3.56 1.74 -0.69 -4.89 116.66 110.88 1ile n ARG 168 Ca 0.21 -0.87 -0.21 0.00 -0.77 0.00 0.00 57.85 56.21 1ile n ARG 168 Cb 1.02 -1.21 0.01 0.00 -1.02 0.00 0.00 32.46 31.27 1ile n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ile n GLY 169 N 0.91 -0.51 0.21 -0.13 0.00 0.36 -4.89 105.19 101.13 1ile n GLY 169 Ca 0.09 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1ile n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ile n LEU 170 N -3.56 1.19 -4.05 0.99 4.77 0.10 -4.86 117.00 111.59 1ile n LEU 170 Ca -0.17 -0.67 -0.32 0.00 -0.03 0.00 0.00 56.01 54.83 1ile n LEU 170 Cb 0.65 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.58 1ile n LEU 170 CO 0.39 0.24 -0.45 -0.22 -1.33 0.00 0.00 177.39 176.02 1ile s LEU 171 N -2.19 3.34 0.11 2.23 2.96 -0.93 0.41 118.68 124.62 1ile s LEU 171 Ca 0.09 -1.38 0.04 0.00 -0.22 0.00 0.00 54.13 52.66 1ile s LEU 171 Cb 0.11 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 1ile s LEU 171 CO 0.44 -0.20 -0.09 -0.72 -1.32 0.00 0.00 176.35 174.45 1ile s TYR 172 N 1.14 1.09 0.08 5.38 1.13 -0.12 -4.66 117.35 121.39 1ile s TYR 172 Ca -0.08 -0.74 -0.11 0.00 -1.41 0.00 0.00 57.07 54.72 1ile s TYR 172 Cb -0.20 -0.59 -0.06 0.00 -1.10 0.00 0.00 41.96 40.02 1ile s TYR 172 CO -0.05 -0.00 0.42 0.50 -2.51 0.00 0.00 175.55 173.90 1ile s ARG 173 N -3.32 3.81 0.15 -3.49 3.52 -1.26 -1.00 118.95 117.35 1ile s ARG 173 Ca 0.10 0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1ile s ARG 173 Cb 0.01 -3.02 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 1ile s ARG 173 CO -0.01 0.57 0.25 -3.47 -0.81 0.00 0.00 175.30 171.83 1ile n ASP 174 N 1.02 -0.71 -3.01 -2.12 2.03 0.57 -4.99 116.55 109.35 1ile n ASP 174 Ca -0.08 -1.70 -0.17 0.00 0.52 0.00 0.00 54.79 53.35 1ile n ASP 174 Cb 0.52 1.24 -0.02 0.00 -0.72 0.00 0.00 41.12 42.15 1ile n ASP 174 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1ile n HIS 175 N -0.22 -1.56 -4.32 -0.67 -0.00 -1.26 -1.46 115.22 105.73 1ile n HIS 175 Ca -0.01 -2.84 -0.29 0.00 -0.00 0.00 0.00 57.72 54.58 1ile n HIS 175 Cb 0.23 0.45 -0.05 0.00 -0.00 0.00 0.00 29.99 30.62 1ile n HIS 175 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 1ile s LYS 176 N -0.50 2.22 0.03 1.57 -2.85 -1.25 -4.69 119.74 114.26 1ile s LYS 176 Ca 0.34 -2.16 -0.30 0.00 -1.00 0.00 0.00 55.97 52.84 1ile s LYS 176 Cb 0.21 -1.82 -0.06 0.00 -2.06 0.00 0.00 37.83 34.10 1ile s LYS 176 CO -0.16 -0.41 1.37 0.08 0.10 0.00 0.00 175.35 176.33 1ile s VAL 177 N -2.79 3.69 0.28 1.79 1.01 -1.26 -3.19 120.40 119.93 1ile s VAL 177 Ca 0.23 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.35 1ile s VAL 177 Cb 0.01 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1ile s VAL 177 CO 0.14 0.02 0.13 0.68 0.00 0.00 0.00 175.10 176.07 1ile s VAL 178 N 2.01 0.41 0.25 2.92 -7.23 -0.65 -4.83 120.40 113.27 1ile s VAL 178 Ca 0.63 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 1ile s VAL 178 Cb -0.32 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 33.96 1ile s VAL 178 CO 0.27 0.00 1.05 -2.84 -0.31 0.00 0.00 175.10 173.27 1ile s PRO 179 N -3.94 4.70 -0.02 4.82 0.02 -1.26 -0.83 135.00 138.49 1ile s PRO 179 Ca 0.37 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1ile s PRO 179 Cb 0.06 -3.23 0.03 0.00 0.02 0.00 0.00 34.50 31.38 1ile s PRO 179 CO 0.15 0.29 0.02 -0.47 -0.33 0.00 0.00 177.00 176.67 1ile s TYR 180 N -1.02 0.10 -0.40 6.54 6.14 0.51 -0.73 117.35 128.49 1ile s TYR 180 Ca 0.44 0.10 -0.21 0.00 0.64 0.00 0.00 57.07 58.05 1ile s TYR 180 Cb -0.30 -0.29 0.01 0.00 0.42 0.00 0.00 41.96 41.80 1ile s TYR 180 CO 0.37 -0.11 0.64 0.00 0.64 0.00 0.00 175.55 177.09 1ile h PRO 182 N 8.70 0.00 -0.04 0.00 0.13 -1.86 0.56 132.00 139.50 1ile h PRO 182 Ca -0.26 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1ile h PRO 182 Cb 1.10 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.24 1ile h PRO 182 CO 0.87 0.57 -0.46 -0.09 -0.23 0.00 0.00 178.00 178.65 1ile h ARG 183 N 0.00 0.38 0.00 0.86 9.65 -1.89 -3.18 114.38 120.21 1ile h ARG 183 Ca -0.01 -0.36 -0.14 0.00 -1.10 0.00 0.00 59.98 58.38 1ile h ARG 183 Cb 1.00 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 1ile h ARG 183 CO 0.07 1.02 -0.66 0.00 2.80 0.00 0.00 179.97 183.20 1ile n GLY 185 N 1.02 -0.09 3.60 0.00 0.00 0.19 -4.84 105.19 105.08 1ile n GLY 185 Ca 0.01 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1ile n GLY 185 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ile s THR 186 N -3.20 0.00 0.67 2.61 -1.32 -0.89 -4.43 115.64 109.09 1ile s THR 186 Ca 0.15 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.52 1ile s THR 186 Cb -0.02 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 1ile s THR 186 CO 0.38 0.00 1.05 -2.16 -2.21 0.00 0.00 174.62 171.68 1ile s PRO 187 N -1.47 3.19 0.46 7.08 0.04 -1.26 -1.27 135.00 141.78 1ile s PRO 187 Ca 0.05 0.76 0.03 0.00 0.04 0.00 0.00 61.00 61.88 1ile s PRO 187 Cb -0.01 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1ile s PRO 187 CO -0.04 -0.87 0.07 -0.51 0.04 0.00 0.00 177.00 175.70 1ile s LEU 188 N -5.36 2.13 0.41 -3.56 1.43 0.09 -4.82 118.68 109.01 1ile s LEU 188 Ca 0.57 -1.68 0.08 0.00 -1.03 0.00 0.00 54.13 52.07 1ile s LEU 188 Cb -0.12 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1ile s LEU 188 CO 0.54 -0.91 0.44 -0.94 0.23 0.00 0.00 176.35 175.71 1ile s SER 189 N -3.74 5.33 0.41 2.29 1.04 -1.26 -4.43 113.70 113.34 1ile s SER 189 Ca 0.15 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 56.09 1ile s SER 189 Cb 0.02 -0.67 0.87 0.00 0.10 0.00 0.00 66.02 66.33 1ile s SER 189 CO 0.09 -0.65 1.99 0.77 0.98 0.00 0.00 173.24 176.42 1ile h SER 190 N 0.91 0.28 -0.06 7.02 4.64 -1.93 -0.23 113.55 124.17 1ile h SER 190 Ca -0.41 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.79 1ile h SER 190 Cb 1.27 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ile h SER 190 CO 0.53 0.32 -0.27 1.12 -0.87 0.00 0.00 176.83 177.67 1ile h HIS 191 N 0.30 0.38 -0.96 4.77 -0.00 -1.94 -1.06 115.15 116.64 1ile h HIS 191 Ca 0.07 -0.17 0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1ile h HIS 191 Cb 0.19 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 27.49 1ile h HIS 191 CO 0.00 0.89 0.63 0.93 -0.00 0.00 0.00 177.93 180.38 1ile h GLU 192 N -0.24 1.18 -0.58 5.12 5.08 -1.76 -1.66 114.58 121.73 1ile h GLU 192 Ca -0.02 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1ile h GLU 192 Cb 0.92 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1ile h GLU 192 CO 0.06 0.78 0.06 0.28 -1.00 0.00 0.00 179.01 179.19 1ile h VAL 193 N 1.22 1.26 -0.82 3.13 2.07 -1.01 -2.27 116.25 119.83 1ile h VAL 193 Ca 0.38 -1.04 0.07 0.00 0.82 0.00 0.00 66.70 66.92 1ile h VAL 193 Cb -0.01 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1ile h VAL 193 CO -0.11 0.38 0.53 0.00 0.02 0.00 0.00 177.57 178.39 1ile h ALA 194 N 0.99 1.64 -0.07 1.67 0.00 -0.29 -1.10 119.26 122.09 1ile h ALA 194 Ca 0.17 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1ile h ALA 194 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ile h ALA 194 CO 0.02 0.23 -0.39 -0.07 0.00 0.00 0.00 179.25 179.04 1ile h LEU 195 N 0.86 0.16 -3.80 0.00 4.07 -0.80 -3.34 115.31 112.46 1ile h LEU 195 Ca 0.36 -0.06 -0.50 0.00 0.08 0.00 0.00 57.88 57.75 1ile h LEU 195 Cb 0.28 -0.04 -0.28 0.00 1.08 0.00 0.00 40.66 41.70 1ile h LEU 195 CO -0.13 0.54 0.29 0.61 -1.08 0.00 0.00 178.44 178.67 1ile n GLY 196 N -0.30 5.45 3.79 0.83 0.00 -0.42 -5.00 105.19 109.55 1ile n GLY 196 Ca -0.01 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.79 1ile n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ile s TYR 197 N -3.54 3.15 -0.27 1.61 1.51 -1.22 -0.55 117.35 118.03 1ile s TYR 197 Ca 0.56 1.61 -0.24 0.00 -1.01 0.00 0.00 57.07 58.00 1ile s TYR 197 Cb 0.46 -3.12 0.07 0.00 -0.11 0.00 0.00 41.96 39.26 1ile s TYR 197 CO 0.03 -0.76 0.72 0.21 -1.11 0.00 0.00 175.55 174.64 1ile s LYS 198 N -2.76 0.82 0.31 -0.62 2.20 -0.29 -4.86 119.74 114.54 1ile s LYS 198 Ca 0.61 1.03 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 1ile s LYS 198 Cb -0.21 0.37 -0.12 0.00 -1.51 0.00 0.00 37.83 36.37 1ile s LYS 198 CO 0.25 -0.11 1.53 -1.91 -0.36 0.00 0.00 175.35 174.76 1ile n GLU 199 N 2.93 2.60 -3.87 4.03 2.13 -1.26 -0.09 120.64 127.10 1ile n GLU 199 Ca -0.15 0.92 -0.09 0.00 0.66 0.00 0.00 57.16 58.50 1ile n GLU 199 Cb 0.56 -2.67 -0.08 0.00 0.27 0.00 0.00 31.44 29.52 1ile n GLU 199 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1ile s ILE 200 N -0.34 0.14 -0.23 6.31 2.07 0.15 -4.86 121.20 124.43 1ile s ILE 200 Ca 0.61 -1.12 -0.10 0.00 -1.41 0.00 0.00 60.65 58.64 1ile s ILE 200 Cb -0.51 -1.19 -0.05 0.00 0.13 0.00 0.00 42.46 40.84 1ile s ILE 200 CO 0.53 -0.62 0.14 -1.58 -1.91 0.00 0.00 174.94 171.50 1ile s GLN 201 N -3.38 4.02 0.11 3.50 2.00 -1.26 -2.01 119.66 122.63 1ile s GLN 201 Ca 0.01 -0.30 0.04 0.00 -2.00 0.00 0.00 55.36 53.12 1ile s GLN 201 Cb 0.03 -3.48 -0.04 0.00 0.80 0.00 0.00 33.01 30.32 1ile s GLN 201 CO -0.08 0.07 -0.11 -0.51 -0.50 0.00 0.00 175.29 174.16 1ile s ASP 202 N 1.02 1.60 -0.06 6.67 1.01 0.99 -5.00 116.67 122.89 1ile s ASP 202 Ca 0.07 -0.85 -0.30 0.00 0.71 0.00 0.00 52.55 52.18 1ile s ASP 202 Cb -0.14 -0.01 -0.02 0.00 1.01 0.00 0.00 42.92 43.77 1ile s ASP 202 CO 0.04 -0.26 1.00 -2.16 0.21 0.00 0.00 175.17 174.00 1ile s PRO 203 N -2.95 4.48 -0.66 8.23 0.04 -1.26 0.13 135.00 143.00 1ile s PRO 203 Ca 0.08 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.36 1ile s PRO 203 Cb -0.02 -3.51 0.14 0.00 0.04 0.00 0.00 34.50 31.15 1ile s PRO 203 CO 0.01 -0.21 0.71 0.45 0.04 0.00 0.00 177.00 177.99 1ile s SER 204 N 1.07 6.35 0.08 6.66 0.15 0.14 -4.01 113.70 124.14 1ile s SER 204 Ca 0.50 -1.86 0.08 0.00 0.70 0.00 0.00 55.95 55.37 1ile s SER 204 Cb -0.19 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1ile s SER 204 CO 0.22 -0.93 -0.20 0.68 1.20 0.00 0.00 173.24 174.22 1ile s VAL 205 N 1.85 2.70 -0.35 4.45 -7.23 -0.60 0.57 120.40 121.80 1ile s VAL 205 Ca 0.13 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1ile s VAL 205 Cb -0.21 -2.18 0.10 0.00 0.56 0.00 0.00 36.38 34.65 1ile s VAL 205 CO 0.01 0.22 0.07 -0.31 -0.31 0.00 0.00 175.10 174.77 1ile s TYR 206 N -1.02 3.70 -0.05 2.82 2.02 -0.45 -1.10 117.35 123.27 1ile s TYR 206 Ca 0.16 -2.83 -0.06 0.00 -0.37 0.00 0.00 57.07 53.97 1ile s TYR 206 Cb -0.10 -2.92 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 1ile s TYR 206 CO 0.07 -0.95 0.19 0.08 -1.57 0.00 0.00 175.55 173.37 1ile s VAL 207 N 0.97 5.42 -0.19 0.71 1.01 0.75 -1.10 120.40 127.97 1ile s VAL 207 Ca 0.09 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1ile s VAL 207 Cb -0.20 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1ile s VAL 207 CO -0.07 0.47 0.14 0.00 0.00 0.00 0.00 175.10 175.63 1ile s ARG 208 N -1.49 4.12 -0.44 2.72 1.70 -0.99 0.23 118.95 124.81 1ile s ARG 208 Ca 0.22 -0.20 -0.05 0.00 -0.47 0.00 0.00 55.73 55.23 1ile s ARG 208 Cb -0.13 -3.40 0.12 0.00 -0.57 0.00 0.00 34.95 30.97 1ile s ARG 208 CO 0.12 0.34 0.26 -0.06 -1.08 0.00 0.00 175.30 174.88 1ile s PHE 209 N 0.23 3.53 0.43 5.89 0.40 0.62 -4.94 117.98 124.15 1ile s PHE 209 Ca 0.09 -2.26 -0.24 0.00 -0.60 0.00 0.00 56.93 53.92 1ile s PHE 209 Cb -0.11 -3.32 -0.08 0.00 0.51 0.00 0.00 43.02 40.02 1ile s PHE 209 CO -0.01 -0.97 1.16 -1.25 0.70 0.00 0.00 175.22 174.84 1ile s PRO 210 N 1.14 3.89 0.41 0.24 0.04 -1.26 0.02 135.00 139.48 1ile s PRO 210 Ca 0.08 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 1ile s PRO 210 Cb -0.24 -2.51 -0.08 0.00 0.04 0.00 0.00 34.50 31.71 1ile s PRO 210 CO -0.03 -0.44 0.82 -0.51 0.04 0.00 0.00 177.00 176.88 1ile s LEU 211 N -2.81 3.86 -0.03 -3.56 2.01 -0.24 -0.72 118.68 117.19 1ile s LEU 211 Ca 0.61 1.30 0.02 0.00 0.01 0.00 0.00 54.13 56.07 1ile s LEU 211 Cb -0.29 -4.17 -0.25 0.00 0.01 0.00 0.00 46.19 41.49 1ile s LEU 211 CO 0.36 -0.38 0.70 0.11 1.01 0.00 0.00 176.35 178.14 1ile h LYS 212 N 1.50 0.15 -2.79 1.70 1.57 -1.86 -3.41 116.57 113.42 1ile h LYS 212 Ca -0.47 -0.26 -0.61 0.00 -1.87 0.00 0.00 60.65 57.43 1ile h LYS 212 Cb 1.18 0.10 -0.41 0.00 0.08 0.00 0.00 32.23 33.18 1ile h LYS 212 CO 0.64 0.92 -0.66 0.39 -0.57 0.00 0.00 179.45 180.16 1ile n GLU 213 N -3.31 1.61 0.12 3.15 -0.58 -1.26 -4.98 120.64 115.39 1ile n GLU 213 Ca -0.19 -4.25 -0.02 0.00 -0.42 0.00 0.00 57.16 52.28 1ile n GLU 213 Cb 1.04 -2.14 0.19 0.00 -0.57 0.00 0.00 31.44 29.96 1ile n GLU 213 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1ile h PRO 214 N 5.20 0.10 0.00 3.49 0.13 -1.81 -3.16 132.00 135.95 1ile h PRO 214 Ca 0.17 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ile h PRO 214 Cb 0.77 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ile h PRO 214 CO 0.67 0.63 0.00 0.36 -0.23 0.00 0.00 178.00 179.42 1ile n LYS 215 N -3.89 0.05 0.02 0.86 -0.00 -0.07 -1.32 118.16 113.81 1ile n LYS 215 Ca -0.02 0.32 0.08 0.00 -0.00 0.00 0.00 58.31 58.70 1ile n LYS 215 Cb 0.57 -1.60 0.35 0.00 -0.00 0.00 0.00 35.03 34.35 1ile n LYS 215 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1ile n LYS 216 N -1.68 0.03 -0.06 -1.58 3.00 -1.19 0.61 118.16 117.28 1ile n LYS 216 Ca 0.03 0.27 0.07 0.00 -0.00 0.00 0.00 58.31 58.68 1ile n LYS 216 Cb 0.16 -1.56 0.11 0.00 0.00 0.00 0.00 35.03 33.74 1ile n LYS 216 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ile n LEU 217 N -1.61 2.29 -3.48 3.14 7.99 -0.68 -4.96 117.00 119.69 1ile n LEU 217 Ca 0.03 -2.80 -0.19 0.00 -0.01 0.00 0.00 56.01 53.04 1ile n LEU 217 Cb 0.19 -0.32 0.06 0.00 -0.11 0.00 0.00 43.42 43.24 1ile n LEU 217 CO 0.15 0.65 0.02 0.61 -1.51 0.00 0.00 177.39 177.31 1ile n GLY 218 N -1.17 -0.65 3.00 -0.72 0.00 0.20 -4.94 105.19 100.92 1ile n GLY 218 Ca 0.12 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.34 1ile n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ile s LEU 219 N -6.18 2.27 -0.16 0.99 1.43 -0.43 -4.93 118.68 111.68 1ile s LEU 219 Ca 0.19 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.57 1ile s LEU 219 Cb -0.04 0.10 -0.11 0.00 0.03 0.00 0.00 46.19 46.17 1ile s LEU 219 CO 0.77 -0.34 0.12 -0.33 0.23 0.00 0.00 176.35 176.80 1ile h GLU 220 N 4.44 0.00 -4.30 1.70 4.39 -1.95 -0.14 114.58 118.72 1ile h GLU 220 Ca -0.32 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 58.91 1ile h GLU 220 Cb 1.20 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.51 1ile h GLU 220 CO 0.44 0.48 -0.79 0.15 -1.16 0.00 0.00 179.01 178.13 1ile s LYS 221 N -2.16 1.29 -0.17 2.33 -0.14 -1.26 -4.75 119.74 114.87 1ile s LYS 221 Ca -0.18 -0.27 -0.15 0.00 -1.36 0.00 0.00 55.97 54.02 1ile s LYS 221 Cb 0.02 -1.13 0.05 0.00 -1.68 0.00 0.00 37.83 35.09 1ile s LYS 221 CO 0.37 -0.02 0.45 0.00 -0.76 0.00 0.00 175.35 175.40 1ile s ALA 222 N 0.77 -1.13 -0.01 5.17 0.00 -1.26 -0.61 121.76 124.69 1ile s ALA 222 Ca -0.13 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.18 1ile s ALA 222 Cb -0.15 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1ile s ALA 222 CO 0.02 -0.22 -0.06 -1.12 0.00 0.00 0.00 175.76 174.38 1ile s SER 223 N 0.41 0.76 0.17 0.00 0.01 0.14 -1.08 113.70 114.11 1ile s SER 223 Ca -0.01 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 1ile s SER 223 Cb -0.04 -0.15 -0.07 0.00 0.21 0.00 0.00 66.02 65.97 1ile s SER 223 CO -0.01 0.05 1.02 -0.76 0.41 0.00 0.00 173.24 173.95 1ile s LEU 224 N 0.08 4.53 -0.29 2.44 1.43 0.10 0.37 118.68 127.34 1ile s LEU 224 Ca -0.01 1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 54.94 1ile s LEU 224 Cb -0.05 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1ile s LEU 224 CO -0.00 -0.09 0.24 -0.22 0.23 0.00 0.00 176.35 176.51 1ile s LEU 225 N -0.46 4.10 0.11 1.79 0.20 0.21 -0.28 118.68 124.36 1ile s LEU 225 Ca 0.47 -0.01 0.03 0.00 0.69 0.00 0.00 54.13 55.30 1ile s LEU 225 Cb -0.27 -2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 43.25 1ile s LEU 225 CO 0.33 -0.12 0.17 -0.63 -0.29 0.00 0.00 176.35 175.82 1ile s ILE 226 N 1.84 4.93 0.03 6.68 1.09 0.14 -4.38 121.20 131.51 1ile s ILE 226 Ca 0.09 -0.71 0.07 0.00 -1.10 0.00 0.00 60.65 58.99 1ile s ILE 226 Cb -0.16 -3.45 -0.02 0.00 -1.06 0.00 0.00 42.46 37.77 1ile s ILE 226 CO 0.11 0.03 -0.20 0.86 -0.10 0.00 0.00 174.94 175.64 1ile s TRP 227 N -1.58 1.72 0.01 3.97 -0.11 -1.26 -0.18 118.94 121.52 1ile s TRP 227 Ca 0.32 -0.36 -0.28 0.00 1.22 0.00 0.00 56.10 57.01 1ile s TRP 227 Cb -0.12 -1.05 0.10 0.00 -1.50 0.00 0.00 33.47 30.90 1ile s TRP 227 CO 0.25 0.05 0.84 -0.08 -4.62 0.00 0.00 176.95 173.39 1ile s THR 228 N -0.71 0.00 -0.01 5.86 -1.32 -0.26 -4.67 115.64 114.54 1ile s THR 228 Ca 0.07 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.56 1ile s THR 228 Cb -0.08 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1ile s THR 228 CO 0.01 0.00 0.88 0.35 -2.21 0.00 0.00 174.62 173.65 1ile n THR 229 N -0.17 0.77 -3.00 5.08 -2.24 -1.26 -1.55 114.28 111.91 1ile n THR 229 Ca -0.11 -0.79 -0.22 0.00 -2.27 0.00 0.00 64.05 60.66 1ile n THR 229 Cb 0.62 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1ile n THR 229 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1ile n THR 230 N -0.42 1.47 -0.35 4.28 5.66 -1.26 -4.40 114.28 119.25 1ile n THR 230 Ca 0.01 -4.94 0.30 0.00 -3.05 0.00 0.00 64.05 56.37 1ile n THR 230 Cb 0.36 -0.75 0.56 0.00 -1.55 0.00 0.00 70.33 68.94 1ile n THR 230 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1ile h PRO 231 N 2.96 0.14 0.00 1.09 0.11 -1.91 0.33 132.00 134.72 1ile h PRO 231 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ile h PRO 231 Cb 0.78 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1ile h PRO 231 CO 0.66 0.09 0.00 -2.67 -0.21 0.00 0.00 178.00 175.87 1ile n TRP 232 N -5.04 0.00 0.25 0.65 4.27 -1.26 -0.32 117.44 115.98 1ile n TRP 232 Ca 0.35 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 54.08 1ile n TRP 232 Cb 1.21 -0.45 -0.04 0.00 -1.36 0.00 0.00 31.31 30.66 1ile n TRP 232 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1ile n THR 233 N -1.45 0.28 -0.28 -1.67 -2.24 0.11 -4.37 114.28 104.65 1ile n THR 233 Ca 0.00 -0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.43 1ile n THR 233 Cb 0.01 -0.03 0.17 0.00 -2.10 0.00 0.00 70.33 68.38 1ile n THR 233 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ile h LEU 234 N 0.00 -0.49 0.00 3.22 3.38 -0.79 1.15 115.31 121.78 1ile h LEU 234 Ca 0.00 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ile h LEU 234 Cb 0.90 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1ile h LEU 234 CO 0.00 -0.24 0.01 -2.65 0.09 0.00 0.00 178.44 175.66 1ile n PRO 235 N -5.42 0.00 -0.03 1.13 -0.02 -1.26 -0.53 135.00 128.87 1ile n PRO 235 Ca 0.15 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.85 1ile n PRO 235 Cb 0.51 -1.51 0.03 0.00 -0.02 0.00 0.00 33.50 32.51 1ile n PRO 235 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ile n GLY 236 N -1.20 1.96 3.76 -1.23 0.00 0.39 -4.83 105.19 104.04 1ile n GLY 236 Ca 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1ile n GLY 236 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ile s ASN 237 N -0.81 6.38 0.00 1.61 2.47 0.31 -4.35 114.94 120.55 1ile s ASN 237 Ca 0.05 2.98 0.00 0.00 0.42 0.00 0.00 52.86 56.30 1ile s ASN 237 Cb 0.03 -2.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1ile s ASN 237 CO 0.03 -0.88 0.38 1.33 -3.72 0.00 0.00 177.10 174.25 1ile n VAL 238 N 1.39 0.05 -3.78 -5.21 0.24 -0.17 -4.92 118.33 105.92 1ile n VAL 238 Ca 0.05 -0.06 0.02 0.00 -2.04 0.00 0.00 64.34 62.31 1ile n VAL 238 Cb 0.38 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 1ile n VAL 238 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ile s ALA 239 N -0.05 -2.39 -0.07 2.33 0.00 -1.23 -2.17 121.76 118.18 1ile s ALA 239 Ca 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1ile s ALA 239 Cb 0.00 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.75 1ile s ALA 239 CO 0.00 -1.10 0.16 0.00 0.00 0.00 0.00 175.76 174.81 1ile s ALA 240 N -2.18 -0.31 -0.02 0.00 0.00 -1.24 -1.63 121.76 116.37 1ile s ALA 240 Ca 0.21 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.86 1ile s ALA 240 Cb 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1ile s ALA 240 CO -0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 175.76 175.51 1ile s ALA 241 N 0.97 2.94 0.05 0.00 0.00 -0.11 0.06 121.76 125.67 1ile s ALA 241 Ca -0.07 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1ile s ALA 241 Cb -0.09 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1ile s ALA 241 CO -0.05 0.59 -0.07 0.14 0.00 0.00 0.00 175.76 176.37 1ile s VAL 242 N -0.91 0.51 -0.26 0.00 -7.23 -0.39 -0.72 120.40 111.40 1ile s VAL 242 Ca 0.15 -1.22 -0.21 0.00 -1.81 0.00 0.00 61.98 58.90 1ile s VAL 242 Cb -0.11 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 1ile s VAL 242 CO 0.05 -0.49 0.64 -2.28 -0.31 0.00 0.00 175.10 172.71 1ile s HIS 243 N -1.82 3.28 0.64 2.82 2.46 -1.25 -0.78 115.29 120.64 1ile s HIS 243 Ca -0.07 0.82 0.15 0.00 0.47 0.00 0.00 55.06 56.43 1ile s HIS 243 Cb -0.07 -2.86 0.65 0.00 -0.13 0.00 0.00 32.58 30.17 1ile s HIS 243 CO -0.01 -0.34 1.31 -1.00 -2.47 0.00 0.00 174.74 172.23 1ile h PRO 244 N 7.91 0.00 -0.42 2.88 0.13 -1.83 -1.51 132.00 139.16 1ile h PRO 244 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1ile h PRO 244 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ile h PRO 244 CO 0.78 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.94 1ile n GLU 245 N -2.89 2.85 -3.81 0.86 1.02 -1.26 -0.27 120.64 117.13 1ile n GLU 245 Ca 0.07 -2.17 -0.30 0.00 -0.02 0.00 0.00 57.16 54.74 1ile n GLU 245 Cb 1.04 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 31.09 1ile n GLU 245 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1ile s TYR 246 N -1.00 3.50 -0.37 -0.32 1.51 -0.57 -4.78 117.35 115.32 1ile s TYR 246 Ca 0.28 0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 56.54 1ile s TYR 246 Cb 0.15 -1.83 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1ile s TYR 246 CO 0.19 0.50 0.26 0.95 -1.11 0.00 0.00 175.55 176.35 1ile s THR 247 N -1.64 5.26 -0.21 -0.71 -4.23 -1.26 -1.65 115.64 111.20 1ile s THR 247 Ca 0.37 -0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.39 1ile s THR 247 Cb -0.12 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.88 1ile s THR 247 CO 0.27 -0.12 0.16 -0.31 -0.54 0.00 0.00 174.62 174.07 1ile s TYR 248 N 1.70 3.38 0.52 3.99 2.02 0.71 -1.83 117.35 127.85 1ile s TYR 248 Ca 0.06 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 57.10 1ile s TYR 248 Cb -0.18 -2.22 0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1ile s TYR 248 CO 0.10 0.19 0.73 0.00 -1.57 0.00 0.00 175.55 175.01 1ile s ALA 249 N 0.65 4.06 -0.21 3.71 0.00 -0.98 -0.75 121.76 128.24 1ile s ALA 249 Ca 0.09 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.63 1ile s ALA 249 Cb -0.12 -1.96 0.04 0.00 0.00 0.00 0.00 23.12 21.08 1ile s ALA 249 CO 0.01 -0.66 -0.15 0.00 0.00 0.00 0.00 175.76 174.96 1ile s ALA 250 N -2.67 2.33 -0.13 0.00 0.00 -0.99 -2.84 121.76 117.45 1ile s ALA 250 Ca 0.57 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.08 1ile s ALA 250 Cb -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1ile s ALA 250 CO 0.37 -0.73 0.08 -0.06 0.00 0.00 0.00 175.76 175.43 1ile s PHE 251 N 1.25 3.38 -0.72 0.00 0.40 -0.10 -0.23 117.98 121.96 1ile s PHE 251 Ca -0.01 0.32 -0.26 0.00 -0.60 0.00 0.00 56.93 56.37 1ile s PHE 251 Cb -0.16 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.47 1ile s PHE 251 CO -0.09 0.50 1.23 -1.14 0.70 0.00 0.00 175.22 176.42 1ile s GLN 252 N -0.60 3.19 -0.21 0.44 0.74 -1.14 0.21 119.66 122.29 1ile s GLN 252 Ca 0.11 -0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.18 1ile s GLN 252 Cb -0.12 -4.18 -0.01 0.00 1.10 0.00 0.00 33.01 29.80 1ile s GLN 252 CO 0.02 -2.07 -0.05 0.14 -0.55 0.00 0.00 175.29 172.78 1ile s VAL 253 N 5.44 3.38 0.00 1.34 -7.23 0.14 -4.79 120.40 118.68 1ile s VAL 253 Ca 0.33 -0.49 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1ile s VAL 253 Cb -0.09 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.32 1ile s VAL 253 CO 0.15 0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 1ile n GLY 254 N 4.66 2.81 2.19 2.32 0.00 -1.26 -1.43 105.19 114.47 1ile n GLY 254 Ca -0.18 0.32 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1ile n GLY 254 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ile n ASP 255 N 7.22 5.90 -3.75 1.61 9.92 -1.26 -5.00 116.55 131.18 1ile n ASP 255 Ca 0.00 -3.76 -0.05 0.00 -0.53 0.00 0.00 54.79 50.45 1ile n ASP 255 Cb 0.00 -0.58 -0.01 0.00 -0.64 0.00 0.00 41.12 39.89 1ile n ASP 255 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 1ile s GLU 256 N -3.69 1.49 -0.11 -1.24 -1.05 -0.52 -4.76 118.70 108.82 1ile s GLU 256 Ca 0.55 -0.84 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 1ile s GLU 256 Cb 0.44 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.61 1ile s GLU 256 CO -0.01 -0.68 -0.12 0.00 0.95 0.00 0.00 175.26 175.40 1ile s ALA 257 N -3.46 2.70 -0.38 -0.84 0.00 0.22 -0.68 121.76 119.31 1ile s ALA 257 Ca 0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 1ile s ALA 257 Cb -0.03 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.90 1ile s ALA 257 CO 0.05 0.33 0.24 -0.51 0.00 0.00 0.00 175.76 175.87 1ile s LEU 258 N 0.05 4.82 -0.13 0.00 1.43 0.13 0.23 118.68 125.21 1ile s LEU 258 Ca -0.04 -0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 51.99 1ile s LEU 258 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1ile s LEU 258 CO 0.04 -0.38 0.54 -0.63 0.23 0.00 0.00 176.35 176.15 1ile s ILE 259 N 1.62 5.13 -0.01 -0.59 1.01 0.16 -0.92 121.20 127.60 1ile s ILE 259 Ca 0.04 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.46 1ile s ILE 259 Cb -0.19 -3.87 0.10 0.00 0.01 0.00 0.00 42.46 38.51 1ile s ILE 259 CO 0.08 0.26 1.02 -1.48 0.00 0.00 0.00 174.94 174.82 1ile s LEU 260 N 0.99 -0.24 0.05 2.97 2.34 -1.13 -0.62 118.68 123.05 1ile s LEU 260 Ca 0.28 -0.11 -0.35 0.00 0.06 0.00 0.00 54.13 54.01 1ile s LEU 260 Cb -0.16 1.85 -0.14 0.00 -0.56 0.00 0.00 46.19 47.18 1ile s LEU 260 CO 0.11 -0.57 1.63 1.21 -1.06 0.00 0.00 176.35 177.67 1ile n GLU 261 N -0.30 1.92 -1.90 1.48 0.00 -0.36 -2.32 120.64 119.18 1ile n GLU 261 Ca -0.06 0.70 -0.42 0.00 0.00 0.00 0.00 57.16 57.37 1ile n GLU 261 Cb 0.61 -2.46 -0.03 0.00 0.00 0.00 0.00 31.44 29.56 1ile n GLU 261 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1ile s GLU 262 N 1.83 4.19 0.00 5.31 2.12 -0.76 -1.03 118.70 130.36 1ile s GLU 262 Ca 0.85 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.56 1ile s GLU 262 Cb -0.75 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.25 1ile s GLU 262 CO 0.45 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1ile n GLY 263 N 3.92 2.86 0.28 -1.50 0.00 -1.26 -4.68 105.19 104.80 1ile n GLY 263 Ca 0.15 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.29 1ile n GLY 263 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ile h LEU 264 N 0.00 0.74 -0.38 0.99 -0.00 -1.77 0.37 115.31 115.26 1ile h LEU 264 Ca 0.00 -0.20 -0.09 0.00 -0.00 0.00 0.00 57.88 57.59 1ile h LEU 264 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.45 1ile h LEU 264 CO 0.00 0.85 -0.11 1.23 -0.00 0.00 0.00 178.44 180.41 1ile h GLY 265 N 0.97 0.80 2.00 0.83 0.00 -1.36 0.14 103.07 106.46 1ile h GLY 265 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1ile h GLY 265 CO 0.03 0.62 0.00 3.21 0.00 0.00 0.00 176.54 180.40 1ile h ARG 266 N 0.54 0.00 0.00 4.80 3.08 -1.62 -0.34 114.38 120.84 1ile h ARG 266 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ile h ARG 266 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1ile h ARG 266 CO 0.04 0.00 -0.01 0.87 -1.07 0.00 0.00 179.97 179.80 1ile h LYS 267 N 0.00 0.00 0.13 0.04 1.57 0.15 -1.57 116.57 116.89 1ile h LYS 267 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ile h LYS 267 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1ile h LYS 267 CO 0.00 0.00 -0.06 1.37 -0.57 0.00 0.00 179.45 180.19 1ile h LEU 268 N -0.96 -0.15 -0.82 2.94 8.10 -0.97 -3.33 115.31 120.12 1ile h LEU 268 Ca 0.00 -0.31 -0.00 0.00 0.11 0.00 0.00 57.88 57.67 1ile h LEU 268 Cb 0.01 0.04 -0.04 0.00 -0.44 0.00 0.00 40.66 40.23 1ile h LEU 268 CO 0.00 0.44 0.50 -0.07 -4.11 0.00 0.00 178.44 175.20 1ile h LEU 269 N -0.96 0.97 0.00 0.17 3.38 -1.29 -3.48 115.31 114.10 1ile h LEU 269 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1ile h LEU 269 Cb 0.46 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ile h LEU 269 CO 0.03 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1ile n GLY 270 N -1.23 3.32 3.61 0.83 0.00 -1.10 -4.85 105.19 105.78 1ile n GLY 270 Ca 0.08 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1ile n GLY 270 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ile s GLU 271 N -5.26 3.64 0.00 1.61 2.02 -0.60 -2.43 118.70 117.67 1ile s GLU 271 Ca 0.00 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.23 1ile s GLU 271 Cb 0.00 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.20 1ile s GLU 271 CO 0.00 -1.48 0.00 0.41 0.02 0.00 0.00 175.26 174.21 1ile n GLY 272 N 4.91 2.90 3.60 -1.39 0.00 -1.26 -5.08 105.19 108.87 1ile n GLY 272 Ca 0.18 -0.36 -0.53 0.00 0.00 0.00 0.00 46.02 45.30 1ile n GLY 272 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ile n THR 273 N 0.00 0.04 -1.85 2.61 -1.04 -1.02 -4.78 114.28 108.24 1ile n THR 273 Ca 0.00 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1ile n THR 273 Cb 0.00 -0.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.67 1ile n THR 273 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ile s GLN 274 N 0.88 4.18 -0.20 -2.82 0.00 -1.26 -4.97 119.66 115.46 1ile s GLN 274 Ca 0.87 2.46 -0.10 0.00 -0.00 0.00 0.00 55.36 58.59 1ile s GLN 274 Cb -1.00 -3.20 -0.05 0.00 0.00 0.00 0.00 33.01 28.76 1ile s GLN 274 CO 0.50 -0.69 0.14 0.08 0.00 0.00 0.00 175.29 175.33 1ile s VAL 275 N 1.41 5.40 0.00 3.63 1.01 -1.26 -2.90 120.40 127.69 1ile s VAL 275 Ca 0.73 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1ile s VAL 275 Cb -0.46 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1ile s VAL 275 CO 0.32 0.42 0.00 0.18 0.00 0.00 0.00 175.10 176.02 1ile n LEU 276 N 3.64 0.00 0.00 3.92 4.77 0.67 -4.98 117.00 125.02 1ile n LEU 276 Ca -0.16 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.71 1ile n LEU 276 Cb 0.52 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.69 1ile n LEU 276 CO 0.37 0.00 0.34 0.29 -1.33 0.00 0.00 177.39 177.06 1ile n LYS 277 N 0.00 -0.44 -3.62 3.23 5.02 -1.26 -4.82 118.16 116.27 1ile n LYS 277 Ca 0.00 -0.85 -0.04 0.00 -2.02 0.00 0.00 58.31 55.40 1ile n LYS 277 Cb 0.00 -0.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.43 1ile n LYS 277 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ile s THR 278 N -2.06 -0.13 0.20 -0.18 2.01 -1.26 -2.36 115.64 111.86 1ile s THR 278 Ca 0.30 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.32 1ile s THR 278 Cb -0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1ile s THR 278 CO 0.21 0.00 0.02 -0.36 -0.69 0.00 0.00 174.62 173.80 1ile s PHE 279 N 1.70 1.31 0.14 4.92 0.40 0.07 -4.95 117.98 121.58 1ile s PHE 279 Ca -0.09 -1.05 -0.02 0.00 -0.60 0.00 0.00 56.93 55.18 1ile s PHE 279 Cb -0.05 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.76 1ile s PHE 279 CO -0.18 -0.23 0.19 -2.30 0.70 0.00 0.00 175.22 173.41 1ile n PRO 280 N -0.31 0.02 0.06 0.24 -0.02 -1.26 -0.20 135.00 133.53 1ile n PRO 280 Ca -0.05 -0.36 -0.03 0.00 -2.02 0.00 0.00 63.50 61.05 1ile n PRO 280 Cb 0.64 -0.18 -0.01 0.00 -0.02 0.00 0.00 33.50 33.92 1ile n PRO 280 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ile h GLY 281 N -0.22 -0.20 1.47 -1.23 0.00 0.32 -3.15 103.07 100.05 1ile h GLY 281 Ca -0.06 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ile h GLY 281 CO 0.05 -0.07 0.27 1.70 0.00 0.00 0.00 176.54 178.48 1ile h LYS 282 N -0.45 0.00 -0.77 4.80 3.64 -1.75 0.24 116.57 122.29 1ile h LYS 282 Ca -0.02 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.54 1ile h LYS 282 Cb 0.15 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.84 1ile h LYS 282 CO 0.03 0.00 0.08 0.00 -2.27 0.00 0.00 179.45 177.30 1ile h ALA 283 N 1.47 0.91 0.00 5.00 0.00 -1.83 -2.41 119.26 122.40 1ile h ALA 283 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1ile h ALA 283 Cb 0.53 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1ile h ALA 283 CO -0.00 -0.41 -0.62 -0.07 0.00 0.00 0.00 179.25 178.15 1ile h LEU 284 N 0.16 0.00 0.00 0.00 3.38 -0.60 -3.48 115.31 114.77 1ile h LEU 284 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1ile h LEU 284 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1ile h LEU 284 CO -0.63 0.62 0.00 1.21 0.09 0.00 0.00 178.44 179.73 1ile n GLU 285 N -3.46 0.00 0.00 1.13 4.07 -0.91 -2.14 120.64 119.33 1ile n GLU 285 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ile n GLU 285 Cb 0.70 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.08 1ile n GLU 285 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ile n GLY 286 N 0.00 0.00 3.40 8.31 0.00 -1.24 -3.49 105.19 112.17 1ile n GLY 286 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 1ile n GLY 286 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ile n LEU 287 N -0.14 1.85 -4.78 0.99 4.77 -0.91 -4.42 117.00 114.36 1ile n LEU 287 Ca 0.00 0.47 -0.34 0.00 -0.03 0.00 0.00 56.01 56.11 1ile n LEU 287 Cb 0.00 -1.19 0.03 0.00 -2.33 0.00 0.00 43.42 39.93 1ile n LEU 287 CO 0.00 -0.74 0.75 -2.16 -1.33 0.00 0.00 177.39 173.91 1ile s PRO 288 N 6.15 3.07 0.30 3.23 0.04 -1.26 0.22 135.00 146.76 1ile s PRO 288 Ca 1.12 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 63.53 1ile s PRO 288 Cb -0.99 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1ile s PRO 288 CO 0.53 -1.04 0.48 1.52 0.04 0.00 0.00 177.00 178.52 1ile s TYR 289 N -2.15 0.76 -0.23 0.56 -0.85 0.75 -3.11 117.35 113.08 1ile s TYR 289 Ca 0.68 -1.07 -0.02 0.00 -0.52 0.00 0.00 57.07 56.14 1ile s TYR 289 Cb -0.21 0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.19 1ile s TYR 289 CO 0.35 -1.09 -0.06 0.99 -1.52 0.00 0.00 175.55 174.22 1ile s THR 290 N -3.41 3.03 0.61 -3.49 2.01 0.10 -4.71 115.64 109.79 1ile s THR 290 Ca 0.27 -0.77 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 1ile s THR 290 Cb -0.00 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 1ile s THR 290 CO 0.15 0.34 1.04 -2.16 -0.69 0.00 0.00 174.62 173.30 1ile s PRO 291 N 1.40 3.35 0.29 4.92 0.04 -1.26 -4.28 135.00 139.45 1ile s PRO 291 Ca 0.03 1.07 0.09 0.00 0.04 0.00 0.00 61.00 62.23 1ile s PRO 291 Cb -0.15 -2.04 0.44 0.00 0.04 0.00 0.00 34.50 32.78 1ile s PRO 291 CO -0.05 -0.78 1.67 -1.00 0.04 0.00 0.00 177.00 176.88 1ile h PRO 292 N 0.17 0.08 -2.15 0.56 0.13 -1.92 -3.34 132.00 125.54 1ile h PRO 292 Ca -0.46 -0.05 -0.57 0.00 -0.87 0.00 0.00 66.00 64.05 1ile h PRO 292 Cb 1.21 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.93 1ile h PRO 292 CO 0.58 0.59 -0.74 0.66 -0.23 0.00 0.00 178.00 178.86 1ile n TYR 293 N -3.92 3.38 -1.33 1.56 4.02 -1.26 -5.07 117.16 114.53 1ile n TYR 293 Ca -0.02 -3.87 -0.54 0.00 -0.01 0.00 0.00 57.90 53.47 1ile n TYR 293 Cb 0.54 -0.44 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 1ile n TYR 293 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1ile n PRO 294 N -0.19 0.00 -4.64 -0.72 -0.02 -1.26 -4.89 135.00 123.28 1ile n PRO 294 Ca 0.30 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 1ile n PRO 294 Cb 0.46 -1.22 -0.12 0.00 -0.02 0.00 0.00 33.50 32.61 1ile n PRO 294 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1ile s GLN 295 N 3.01 2.55 -0.59 -0.52 -1.52 -1.26 -5.04 119.66 116.29 1ile s GLN 295 Ca 0.88 -0.69 -0.26 0.00 -1.95 0.00 0.00 55.36 53.34 1ile s GLN 295 Cb -1.22 -2.47 -0.06 0.00 -0.22 0.00 0.00 33.01 29.05 1ile s GLN 295 CO 0.64 0.62 2.21 0.00 -0.25 0.00 0.00 175.29 178.51 1ile s ALA 296 N -0.86 1.69 0.37 6.09 0.00 -1.26 -4.95 121.76 122.83 1ile s ALA 296 Ca 0.14 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.79 1ile s ALA 296 Cb -0.11 -4.37 -0.01 0.00 0.00 0.00 0.00 23.12 18.63 1ile s ALA 296 CO 0.04 -4.48 0.47 -0.51 0.00 0.00 0.00 175.76 171.28 1ile s LEU 297 N 11.40 3.80 -0.15 0.00 1.43 -1.26 -5.05 118.68 128.85 1ile s LEU 297 Ca 0.86 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.57 1ile s LEU 297 Cb -0.14 -2.62 -0.07 0.00 0.03 0.00 0.00 46.19 43.39 1ile s LEU 297 CO 0.21 -0.53 -0.19 -1.84 0.23 0.00 0.00 176.35 174.22 1ile n GLU 298 N -1.67 0.33 -5.22 1.70 0.00 -1.26 -4.96 120.64 109.57 1ile n GLU 298 Ca 0.02 0.13 -0.31 0.00 0.00 0.00 0.00 57.16 57.00 1ile n GLU 298 Cb 0.59 -1.10 -0.17 0.00 0.00 0.00 0.00 31.44 30.76 1ile n GLU 298 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1ile s LYS 299 N -2.28 2.74 0.00 3.44 1.02 -1.26 -5.10 119.74 118.29 1ile s LYS 299 Ca -0.21 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1ile s LYS 299 Cb 0.08 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1ile s LYS 299 CO 0.29 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1ile n GLY 300 N 3.23 -0.47 2.60 -3.33 0.00 -1.26 -4.40 105.19 101.55 1ile n GLY 300 Ca -0.18 -1.44 -0.02 0.00 0.00 0.00 0.00 46.02 44.38 1ile n GLY 300 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ile n TYR 301 N 9.00 -1.95 -4.42 1.61 4.01 -0.92 -4.90 117.16 119.58 1ile n TYR 301 Ca 0.00 0.03 -0.21 0.00 -0.16 0.00 0.00 57.90 57.56 1ile n TYR 301 Cb 0.00 -1.06 -0.10 0.00 -0.31 0.00 0.00 39.34 37.86 1ile n TYR 301 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 1ile s PHE 302 N -2.07 1.91 0.56 -0.72 -0.12 -1.26 -0.18 117.98 116.10 1ile s PHE 302 Ca 0.04 -0.81 -0.17 0.00 -0.05 0.00 0.00 56.93 55.93 1ile s PHE 302 Cb -0.02 -1.15 -0.05 0.00 -0.63 0.00 0.00 43.02 41.16 1ile s PHE 302 CO 0.05 0.15 1.06 0.08 -0.05 0.00 0.00 175.22 176.51 1ile s VAL 303 N -3.15 3.70 0.18 -2.49 1.01 0.13 -3.69 120.40 116.09 1ile s VAL 303 Ca 0.31 0.91 0.01 0.00 0.00 0.00 0.00 61.98 63.21 1ile s VAL 303 Cb 0.06 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 1ile s VAL 303 CO 0.13 -0.38 0.03 -0.69 0.00 0.00 0.00 175.10 174.18 1ile s VAL 304 N -2.23 0.58 -0.13 2.92 1.01 0.11 -3.61 120.40 119.05 1ile s VAL 304 Ca 0.66 -1.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.66 1ile s VAL 304 Cb -0.17 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1ile s VAL 304 CO 0.31 -0.38 -0.12 -0.76 0.00 0.00 0.00 175.10 174.14 1ile s LEU 305 N -3.18 2.79 -0.13 3.92 1.43 -1.26 -1.26 118.68 120.99 1ile s LEU 305 Ca 0.27 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1ile s LEU 305 Cb 0.07 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.72 1ile s LEU 305 CO 0.05 0.18 0.28 0.00 0.23 0.00 0.00 176.35 177.09 1ile s ALA 306 N 0.24 -0.63 0.47 4.21 0.00 0.04 -4.89 121.76 121.21 1ile s ALA 306 Ca -0.08 1.04 0.26 0.00 0.00 0.00 0.00 51.96 53.18 1ile s ALA 306 Cb -0.15 -0.86 1.30 0.00 0.00 0.00 0.00 23.12 23.41 1ile s ALA 306 CO 0.05 -0.43 1.80 0.38 0.00 0.00 0.00 175.76 177.57 1ile h ASP 307 N 7.72 0.24 1.04 0.00 2.03 -1.98 -3.15 116.42 122.32 1ile h ASP 307 Ca -0.27 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 1ile h ASP 307 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1ile h ASP 307 CO 0.25 0.05 -0.15 0.00 -1.03 0.00 0.00 179.24 178.35 1ile n TYR 308 N -4.43 0.33 -1.51 4.15 4.11 -1.26 -4.89 117.16 113.66 1ile n TYR 308 Ca 0.24 0.10 -0.52 0.00 -0.00 0.00 0.00 57.90 57.72 1ile n TYR 308 Cb 1.00 -0.61 -0.07 0.00 -0.00 0.00 0.00 39.34 39.66 1ile n TYR 308 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1ile n VAL 309 N -1.79 0.25 -1.29 -3.48 0.31 -1.19 -4.91 118.33 106.23 1ile n VAL 309 Ca 0.06 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.88 1ile n VAL 309 Cb 0.38 -1.58 0.23 0.00 -0.91 0.00 0.00 33.84 31.95 1ile n VAL 309 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1ile s SER 310 N 6.31 1.37 -0.02 4.52 1.04 -1.26 -4.78 113.70 120.88 1ile s SER 310 Ca 1.06 0.50 0.12 0.00 0.48 0.00 0.00 55.95 58.11 1ile s SER 310 Cb -0.88 -0.67 0.21 0.00 0.10 0.00 0.00 66.02 64.77 1ile s SER 310 CO 0.52 -3.83 1.09 0.00 0.98 0.00 0.00 173.24 172.00 1ile n GLN 311 N -4.55 0.16 -0.04 4.02 10.64 -1.26 -4.64 117.38 121.71 1ile n GLN 311 Ca 0.14 -1.60 -0.04 0.00 -1.83 0.00 0.00 57.00 53.67 1ile n GLN 311 Cb 0.60 -0.43 -0.06 0.00 -0.86 0.00 0.00 30.24 29.49 1ile n GLN 311 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1ile n GLU 312 N 0.04 2.38 -4.79 2.61 0.00 -1.26 -4.86 120.64 114.76 1ile n GLU 312 Ca 0.04 0.01 -0.25 0.00 0.00 0.00 0.00 57.16 56.96 1ile n GLU 312 Cb 0.87 -1.19 -0.16 0.00 0.00 0.00 0.00 31.44 30.96 1ile n GLU 312 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1ile s ASP 313 N -4.08 2.00 0.08 4.31 1.01 -1.26 -5.05 116.67 113.67 1ile s ASP 313 Ca -0.05 -0.31 0.00 0.00 0.71 0.00 0.00 52.55 52.89 1ile s ASP 313 Cb 0.02 -0.35 0.00 0.00 1.01 0.00 0.00 42.92 43.61 1ile s ASP 313 CO 0.30 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.47 1ile n GLY 314 N 2.85 0.94 0.63 0.21 0.00 -1.26 -4.65 105.19 103.92 1ile n GLY 314 Ca -0.16 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.43 1ile n GLY 314 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ile n THR 315 N 0.00 0.13 0.00 2.61 -2.24 -1.26 -4.90 114.28 108.61 1ile n THR 315 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1ile n THR 315 Cb 0.00 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.01 1ile n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ile n GLY 316 N 3.03 1.11 3.38 3.38 0.00 -1.26 -1.22 105.19 113.60 1ile n GLY 316 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1ile n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ile s ILE 317 N -0.89 3.80 -0.22 -0.61 1.01 -1.26 -4.44 121.20 118.58 1ile s ILE 317 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 1ile s ILE 317 Cb 0.00 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.74 1ile s ILE 317 CO 0.00 0.39 -0.09 -0.69 0.00 0.00 0.00 174.94 174.55 1ile s VAL 318 N 1.47 2.81 0.33 2.92 1.01 0.10 -4.13 120.40 124.92 1ile s VAL 318 Ca 0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 1ile s VAL 318 Cb -0.15 -2.33 -0.12 0.00 0.00 0.00 0.00 36.38 33.78 1ile s VAL 318 CO -0.00 0.35 1.39 1.57 0.00 0.00 0.00 175.10 178.41 1ile n HIS 319 N 4.69 2.52 -3.91 5.22 -0.00 -1.26 -0.93 115.22 121.55 1ile n HIS 319 Ca -0.18 0.48 -0.34 0.00 0.46 0.00 0.00 57.72 58.14 1ile n HIS 319 Cb 0.49 -2.47 -0.13 0.00 -0.12 0.00 0.00 29.99 27.75 1ile n HIS 319 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1ile s GLN 320 N -1.59 1.98 -0.61 1.57 2.00 -0.65 -4.86 119.66 117.50 1ile s GLN 320 Ca 0.57 -1.66 -0.02 0.00 -2.00 0.00 0.00 55.36 52.26 1ile s GLN 320 Cb -0.55 -3.31 0.16 0.00 0.80 0.00 0.00 33.01 30.11 1ile s GLN 320 CO 0.60 -0.87 0.42 0.00 -0.50 0.00 0.00 175.29 174.93 1ile s ALA 321 N 1.10 3.54 -1.26 1.58 0.00 -1.26 -1.00 121.76 124.45 1ile s ALA 321 Ca 0.04 -3.23 0.00 0.00 0.00 0.00 0.00 51.96 48.77 1ile s ALA 321 Cb -0.21 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1ile s ALA 321 CO -0.05 -2.08 0.63 -0.35 0.00 0.00 0.00 175.76 173.92 1ile n PRO 322 N 3.51 0.00 0.00 0.00 -0.04 -1.26 -1.59 135.00 135.62 1ile n PRO 322 Ca 0.07 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 1ile n PRO 322 Cb 0.38 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.21 1ile n PRO 322 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ile n ALA 323 N -1.13 4.00 -1.45 0.55 0.00 -1.26 -4.29 120.51 116.92 1ile n ALA 323 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.04 1ile n ALA 323 Cb 0.04 -0.58 0.12 0.00 0.00 0.00 0.00 19.45 19.03 1ile n ALA 323 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ile n PHE 324 N -1.24 0.00 -3.63 0.00 3.72 -0.62 -1.91 117.46 113.78 1ile n PHE 324 Ca 0.03 -0.89 -0.12 0.00 -0.05 0.00 0.00 57.45 56.43 1ile n PHE 324 Cb 0.26 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 1ile n PHE 324 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ile s GLY 325 N -2.55 -0.40 0.01 1.37 0.00 -1.21 -4.68 107.32 99.86 1ile s GLY 325 Ca 0.28 2.30 -0.20 0.00 0.00 0.00 0.00 44.72 47.10 1ile s GLY 325 CO -0.01 1.84 1.14 0.00 0.00 0.00 0.00 173.10 176.08 1ile h ALA 326 N 4.89 0.11 -0.35 3.20 0.00 -1.90 -2.38 119.26 122.84 1ile h ALA 326 Ca -0.29 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 1ile h ALA 326 Cb 1.17 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ile h ALA 326 CO 0.08 0.30 0.10 0.93 0.00 0.00 0.00 179.25 180.65 1ile h GLU 327 N -0.09 0.55 -0.85 0.00 3.07 -1.97 -0.59 114.58 114.69 1ile h GLU 327 Ca -0.05 -0.13 0.19 0.00 -0.50 0.00 0.00 59.36 58.87 1ile h GLU 327 Cb 1.17 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.94 1ile h GLU 327 CO 0.10 0.59 0.56 -0.44 -1.40 0.00 0.00 179.01 178.42 1ile h ASP 328 N 0.41 0.37 0.71 1.42 5.19 -1.89 0.37 116.42 123.01 1ile h ASP 328 Ca 0.11 0.03 -0.22 0.00 -0.62 0.00 0.00 57.03 56.33 1ile h ASP 328 Cb 0.28 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 1ile h ASP 328 CO -0.00 0.17 -1.00 0.25 -3.12 0.00 0.00 179.24 175.54 1ile h LEU 329 N 0.38 0.22 0.55 1.55 6.46 -0.84 -2.94 115.31 120.70 1ile h LEU 329 Ca 0.43 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1ile h LEU 329 Cb 1.08 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 40.95 1ile h LEU 329 CO -0.15 1.09 -0.27 -0.33 -0.62 0.00 0.00 178.44 178.16 1ile h GLU 330 N 0.07 -0.72 -0.67 1.25 5.08 0.13 -2.52 114.58 117.20 1ile h GLU 330 Ca -0.06 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 1ile h GLU 330 Cb 1.69 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 1ile h GLU 330 CO 0.15 -0.43 0.48 1.15 -1.00 0.00 0.00 179.01 179.36 1ile h THR 331 N -0.88 0.69 -0.40 1.13 2.02 -1.43 0.11 112.91 114.14 1ile h THR 331 Ca -0.08 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1ile h THR 331 Cb 0.62 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1ile h THR 331 CO 0.13 0.01 -0.14 0.00 0.37 0.00 0.00 175.52 175.88 1ile h ALA 332 N 1.67 0.56 -0.73 6.16 0.00 -1.30 -2.40 119.26 123.21 1ile h ALA 332 Ca 0.32 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ile h ALA 332 Cb 1.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1ile h ALA 332 CO -0.02 0.47 0.34 0.00 0.00 0.00 0.00 179.25 180.04 1ile h ARG 333 N 0.62 1.06 0.68 0.00 2.47 -0.38 -0.86 114.38 117.97 1ile h ARG 333 Ca 0.10 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1ile h ARG 333 Cb 0.68 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1ile h ARG 333 CO 0.05 0.84 -0.49 0.28 0.56 0.00 0.00 179.97 181.20 1ile h VAL 334 N 1.03 0.03 -0.25 2.04 2.07 -1.27 -3.02 116.25 116.88 1ile h VAL 334 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1ile h VAL 334 Cb 0.13 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1ile h VAL 334 CO -0.03 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.34 1ile n TYR 335 N -5.60 0.85 -2.38 1.57 4.02 -0.92 -4.90 117.16 109.80 1ile n TYR 335 Ca -0.14 -0.30 -0.11 0.00 -0.01 0.00 0.00 57.90 57.34 1ile n TYR 335 Cb 0.48 -0.25 -0.01 0.00 -0.02 0.00 0.00 39.34 39.54 1ile n TYR 335 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ile n GLY 336 N 0.33 -0.40 3.80 2.72 0.00 -0.45 -4.93 105.19 106.25 1ile n GLY 336 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1ile n GLY 336 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ile s LEU 337 N -5.45 3.26 0.64 0.99 1.43 -0.47 -4.86 118.68 114.22 1ile s LEU 337 Ca 0.00 1.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.84 1ile s LEU 337 Cb 0.00 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.75 1ile s LEU 337 CO 0.00 -1.49 0.91 -2.16 0.23 0.00 0.00 176.35 173.84 1ile s PRO 338 N -4.59 2.33 -0.35 1.29 0.04 -1.26 -4.74 135.00 127.72 1ile s PRO 338 Ca 0.61 -0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.04 1ile s PRO 338 Cb -0.16 -2.31 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1ile s PRO 338 CO 0.48 -1.02 0.20 -1.17 0.04 0.00 0.00 177.00 175.52 1ile s LEU 339 N -5.04 4.52 -0.52 -3.56 2.96 -1.26 -4.84 118.68 110.94 1ile s LEU 339 Ca 0.59 -0.78 -0.20 0.00 -0.22 0.00 0.00 54.13 53.52 1ile s LEU 339 Cb -0.10 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.61 1ile s LEU 339 CO 0.42 -0.31 0.67 -0.76 -1.32 0.00 0.00 176.35 175.05 1ile s LEU 340 N 1.60 4.89 -1.20 -0.68 1.43 -1.26 -4.98 118.68 118.48 1ile s LEU 340 Ca 0.03 -0.88 -0.12 0.00 -1.03 0.00 0.00 54.13 52.13 1ile s LEU 340 Cb -0.18 -2.48 0.20 0.00 0.03 0.00 0.00 46.19 43.76 1ile s LEU 340 CO 0.07 -0.95 1.44 0.29 0.23 0.00 0.00 176.35 177.42 1ile n LYS 341 N 6.35 3.50 -0.03 1.70 4.76 -1.26 -4.58 118.16 128.61 1ile n LYS 341 Ca -0.06 -3.97 0.08 0.00 -2.87 0.00 0.00 58.31 51.49 1ile n LYS 341 Cb 0.45 -2.89 0.39 0.00 -1.84 0.00 0.00 35.03 31.14 1ile n LYS 341 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ile n THR 342 N 3.84 0.08 -3.91 -0.18 -2.24 -1.26 -4.80 114.28 105.82 1ile n THR 342 Ca 0.34 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1ile n THR 342 Cb 0.40 -0.05 -0.15 0.00 -2.10 0.00 0.00 70.33 68.44 1ile n THR 342 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ile s VAL 343 N -1.92 0.09 0.88 2.28 1.01 -1.26 -0.78 120.40 120.70 1ile s VAL 343 Ca 0.24 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1ile s VAL 343 Cb 0.12 -0.13 0.13 0.00 0.00 0.00 0.00 36.38 36.50 1ile s VAL 343 CO 0.19 0.06 1.24 1.51 0.00 0.00 0.00 175.10 178.10 1ile s ASP 344 N 0.38 3.90 0.00 3.32 1.47 -0.37 -4.93 116.67 120.44 1ile s ASP 344 Ca -0.03 0.57 0.00 0.00 1.18 0.00 0.00 52.55 54.27 1ile s ASP 344 Cb -0.06 -0.87 0.01 0.00 -0.34 0.00 0.00 42.92 41.66 1ile s ASP 344 CO -0.01 -2.27 0.89 -0.62 0.68 0.00 0.00 175.17 173.84 1ile n GLU 345 N -3.52 0.00 -0.14 2.11 1.02 -1.26 -1.59 120.64 117.26 1ile n GLU 345 Ca 0.11 0.38 0.08 0.00 -0.02 0.00 0.00 57.16 57.71 1ile n GLU 345 Cb 0.60 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.67 1ile n GLU 345 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ile n GLU 346 N -1.38 2.09 -0.78 3.49 1.02 -1.26 -4.77 120.64 119.06 1ile n GLU 346 Ca 0.00 -1.92 0.00 0.00 -0.02 0.00 0.00 57.16 55.22 1ile n GLU 346 Cb 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1ile n GLU 346 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ile n GLY 347 N 0.97 0.57 3.63 0.62 0.00 -0.62 -4.73 105.19 105.62 1ile n GLY 347 Ca 0.14 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1ile n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ile s LYS 348 N -0.81 4.00 0.74 1.61 1.02 -1.26 0.11 119.74 125.15 1ile s LYS 348 Ca 0.00 -0.31 -0.16 0.00 0.02 0.00 0.00 55.97 55.52 1ile s LYS 348 Cb 0.00 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1ile s LYS 348 CO 0.00 0.08 0.61 1.28 -0.92 0.00 0.00 175.35 176.39 1ile n LEU 349 N 4.20 1.27 -0.00 3.17 7.99 0.57 -1.24 117.00 132.96 1ile n LEU 349 Ca -0.15 0.58 0.01 0.00 -0.01 0.00 0.00 56.01 56.44 1ile n LEU 349 Cb 0.52 -1.25 -0.01 0.00 -0.11 0.00 0.00 43.42 42.56 1ile n LEU 349 CO 0.35 -2.94 -0.49 0.18 -1.51 0.00 0.00 177.39 172.98 1ile n LEU 350 N -0.68 0.00 -4.66 2.23 4.77 0.04 -1.01 117.00 117.70 1ile n LEU 350 Ca 0.10 -0.03 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1ile n LEU 350 Cb 0.50 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1ile n LEU 350 CO 0.50 0.00 1.22 -0.69 -1.33 0.00 0.00 177.39 177.09 1ile s VAL 351 N -2.05 3.96 0.07 4.08 1.01 -1.26 -4.52 120.40 121.69 1ile s VAL 351 Ca -0.00 1.16 -0.07 0.00 0.00 0.00 0.00 61.98 63.07 1ile s VAL 351 Cb 0.01 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1ile s VAL 351 CO 0.06 -0.13 0.49 1.21 0.00 0.00 0.00 175.10 176.73 1ile n GLU 352 N 6.91 -0.09 0.27 2.72 4.07 -1.26 0.10 120.64 133.37 1ile n GLU 352 Ca 0.16 0.48 0.17 0.00 -0.06 0.00 0.00 57.16 57.91 1ile n GLU 352 Cb 0.44 -0.72 0.91 0.00 -0.06 0.00 0.00 31.44 32.02 1ile n GLU 352 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1ile h PRO 353 N 0.00 0.00 0.00 5.31 0.13 -2.03 -3.07 132.00 132.34 1ile h PRO 353 Ca 0.10 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1ile h PRO 353 Cb 0.17 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.21 1ile h PRO 353 CO -0.31 0.00 -0.52 1.19 -0.23 0.00 0.00 178.00 178.13 1ile n PHE 354 N -3.72 0.00 -1.52 1.56 3.01 0.12 -5.07 117.46 111.84 1ile n PHE 354 Ca -0.01 -0.62 -0.46 0.00 1.01 0.00 0.00 57.45 57.37 1ile n PHE 354 Cb 0.18 -0.13 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 1ile n PHE 354 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1ile n LYS 355 N -0.40 1.44 0.00 -1.08 4.81 0.05 -2.16 118.16 120.83 1ile n LYS 355 Ca 0.09 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1ile n LYS 355 Cb 0.80 -2.86 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1ile n LYS 355 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ile n GLY 356 N 6.18 1.86 3.80 3.14 0.00 -0.18 -4.96 105.19 115.03 1ile n GLY 356 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 1ile n GLY 356 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ile s LEU 357 N 0.00 3.76 0.26 0.99 1.43 -0.92 -4.72 118.68 119.49 1ile s LEU 357 Ca 0.00 1.91 -0.30 0.00 -1.03 0.00 0.00 54.13 54.71 1ile s LEU 357 Cb 0.00 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1ile s LEU 357 CO 0.00 -0.87 1.00 -0.47 0.23 0.00 0.00 176.35 176.24 1ile s TYR 358 N -2.09 3.82 0.42 0.29 5.04 -1.26 -0.32 117.35 123.26 1ile s TYR 358 Ca 0.66 1.83 0.19 0.00 -2.44 0.00 0.00 57.07 57.32 1ile s TYR 358 Cb -0.16 -3.10 1.12 0.00 0.35 0.00 0.00 41.96 40.17 1ile s TYR 358 CO 0.24 0.06 1.84 0.27 -1.34 0.00 0.00 175.55 176.62 1ile h PHE 359 N 3.99 0.52 -0.02 4.97 -5.15 0.42 -0.07 116.94 121.60 1ile h PHE 359 Ca -0.46 0.02 -0.22 0.00 -0.20 0.00 0.00 57.97 57.10 1ile h PHE 359 Cb 1.20 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.22 1ile h PHE 359 CO 0.60 0.12 -0.91 0.00 -2.00 0.00 0.00 178.31 176.12 1ile h ARG 360 N 0.37 0.48 0.00 6.09 2.47 -1.91 -3.05 114.38 118.83 1ile h ARG 360 Ca 0.50 -0.49 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1ile h ARG 360 Cb 1.30 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.75 1ile h ARG 360 CO -0.19 1.13 -0.11 0.93 0.56 0.00 0.00 179.97 182.29 1ile h GLU 361 N 0.29 0.00 -0.32 0.04 3.07 -1.60 -3.25 114.58 112.81 1ile h GLU 361 Ca -0.08 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.64 1ile h GLU 361 Cb 1.54 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.44 1ile h GLU 361 CO 0.16 0.11 -0.35 0.00 -1.40 0.00 0.00 179.01 177.54 1ile h ALA 362 N 1.89 0.48 -1.02 3.43 0.00 -0.96 -3.01 119.26 120.06 1ile h ALA 362 Ca -0.00 -0.43 0.35 0.00 0.00 0.00 0.00 54.91 54.83 1ile h ALA 362 Cb 0.89 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 1ile h ALA 362 CO 0.01 0.54 0.58 -0.91 0.00 0.00 0.00 179.25 179.48 1ile h ASN 363 N 0.58 0.45 -0.29 0.00 2.35 -1.58 0.79 115.58 117.87 1ile h ASN 363 Ca 0.05 0.20 0.02 0.00 -0.55 0.00 0.00 56.30 56.02 1ile h ASN 363 Cb 0.93 0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 1ile h ASN 363 CO 0.08 -0.21 0.14 -0.09 -1.65 0.00 0.00 177.43 175.70 1ile h ARG 364 N 0.23 0.28 -0.00 0.81 2.43 -1.72 -0.95 114.38 115.45 1ile h ARG 364 Ca 0.77 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.92 1ile h ARG 364 Cb 1.88 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 1ile h ARG 364 CO -0.63 0.19 -0.01 0.00 -1.51 0.00 0.00 179.97 178.01 1ile h ALA 365 N 1.16 0.01 -0.65 2.80 0.00 0.44 -2.69 119.26 120.32 1ile h ALA 365 Ca 0.12 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ile h ALA 365 Cb 0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 1ile h ALA 365 CO -0.09 -0.21 0.35 0.82 0.00 0.00 0.00 179.25 180.12 1ile h ILE 366 N -0.54 0.95 -0.02 0.00 2.04 -1.09 0.15 117.51 118.99 1ile h ILE 366 Ca 0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1ile h ILE 366 Cb 0.56 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1ile h ILE 366 CO 0.00 0.12 -0.08 -0.07 0.00 0.00 0.00 178.15 178.12 1ile h LEU 367 N 0.65 0.02 0.49 1.44 4.07 -1.19 -0.53 115.31 120.25 1ile h LEU 367 Ca 0.30 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.23 1ile h LEU 367 Cb 0.21 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1ile h LEU 367 CO -0.19 0.11 -0.23 -0.09 -1.08 0.00 0.00 178.44 176.95 1ile h ARG 368 N 0.03 -0.63 -0.51 1.13 2.43 -0.42 -2.34 114.38 114.07 1ile h ARG 368 Ca 0.01 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1ile h ARG 368 Cb 0.16 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 29.78 1ile h ARG 368 CO 0.01 -0.42 -0.44 0.22 -1.51 0.00 0.00 179.97 177.83 1ile h ASP 369 N -0.83 -1.54 -0.83 -3.80 3.58 -0.76 -0.79 116.42 111.45 1ile h ASP 369 Ca -0.07 0.22 0.17 0.00 0.42 0.00 0.00 57.03 57.77 1ile h ASP 369 Cb 0.50 0.65 -0.10 0.00 1.72 0.00 0.00 39.33 42.10 1ile h ASP 369 CO 0.11 -0.25 0.36 -0.07 -2.88 0.00 0.00 179.24 176.51 1ile h LEU 370 N -0.18 0.35 -0.93 2.28 3.38 -1.19 0.36 115.31 119.38 1ile h LEU 370 Ca 0.08 0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1ile h LEU 370 Cb 0.40 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1ile h LEU 370 CO -0.57 0.10 -0.19 -0.09 0.09 0.00 0.00 178.44 177.77 1ile h ARG 371 N 0.47 0.56 -0.31 1.13 2.43 -0.62 -1.40 114.38 116.64 1ile h ARG 371 Ca 0.47 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 59.32 1ile h ARG 371 Cb 0.78 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1ile h ARG 371 CO -0.44 0.73 -0.31 0.78 -1.51 0.00 0.00 179.97 179.21 1ile h GLY 372 N 0.98 0.73 -0.51 2.80 0.00 0.93 -2.02 103.07 105.98 1ile h GLY 372 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1ile h GLY 372 CO 0.04 0.61 0.00 0.54 0.00 0.00 0.00 176.54 177.73 1ile n ARG 373 N -4.07 1.10 -2.45 4.80 1.74 0.08 -4.85 116.66 113.01 1ile n ARG 373 Ca -0.01 -0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 56.83 1ile n ARG 373 Cb 0.47 -1.23 -0.01 0.00 -1.02 0.00 0.00 32.46 30.68 1ile n ARG 373 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ile n GLY 374 N 0.34 -0.50 0.87 -0.13 0.00 -0.76 -4.84 105.19 100.17 1ile n GLY 374 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1ile n GLY 374 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ile n LEU 375 N -2.82 2.99 -3.97 0.99 -0.00 -0.56 -4.90 117.00 108.73 1ile n LEU 375 Ca -0.15 -3.97 -0.31 0.00 -0.00 0.00 0.00 56.01 51.58 1ile n LEU 375 Cb 0.61 -0.47 -0.15 0.00 -0.00 0.00 0.00 43.42 43.41 1ile n LEU 375 CO 0.18 1.48 -0.34 -0.22 -0.00 0.00 0.00 177.39 178.49 1ile s LEU 376 N -3.19 4.15 0.00 1.47 1.98 -1.22 -2.34 118.68 119.54 1ile s LEU 376 Ca 0.40 -1.99 -0.24 0.00 -2.89 0.00 0.00 54.13 49.41 1ile s LEU 376 Cb 0.38 -1.47 -0.14 0.00 0.66 0.00 0.00 46.19 45.62 1ile s LEU 376 CO -0.06 -0.37 1.06 0.15 -1.89 0.00 0.00 176.35 175.24 1ile h PHE 377 N 7.72 -0.70 -3.67 5.38 3.04 -1.46 -3.47 116.94 123.77 1ile h PHE 377 Ca -0.07 -0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.71 1ile h PHE 377 Cb 1.02 0.23 -0.21 0.00 2.56 0.00 0.00 35.95 39.55 1ile h PHE 377 CO 0.45 -0.39 -0.57 0.21 -2.02 0.00 0.00 178.31 175.99 1ile s LYS 378 N -4.44 0.40 -0.04 1.11 2.20 -1.18 -4.99 119.74 112.80 1ile s LYS 378 Ca -0.13 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1ile s LYS 378 Cb 0.01 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1ile s LYS 378 CO 0.42 -0.09 -0.06 -2.00 -0.36 0.00 0.00 175.35 173.26 1ile s GLU 379 N -1.31 0.95 0.14 4.03 2.12 -1.26 -1.33 118.70 122.04 1ile s GLU 379 Ca -0.14 -0.18 0.02 0.00 0.36 0.00 0.00 54.97 55.04 1ile s GLU 379 Cb -0.08 -0.90 -0.01 0.00 0.26 0.00 0.00 34.13 33.40 1ile s GLU 379 CO 0.01 -0.03 0.14 0.39 -0.54 0.00 0.00 175.26 175.23 1ile n GLU 380 N 3.86 0.20 -4.07 4.30 1.02 0.19 -4.98 120.64 121.16 1ile n GLU 380 Ca -0.24 -1.37 -0.25 0.00 -0.02 0.00 0.00 57.16 55.28 1ile n GLU 380 Cb 0.52 1.16 -0.17 0.00 -0.02 0.00 0.00 31.44 32.93 1ile n GLU 380 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ile s SER 381 N -1.98 1.87 -0.18 1.62 0.15 -1.26 0.28 113.70 114.21 1ile s SER 381 Ca 0.16 -0.25 -0.15 0.00 0.70 0.00 0.00 55.95 56.41 1ile s SER 381 Cb 0.01 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 1ile s SER 381 CO 0.11 -0.09 0.34 -0.47 1.20 0.00 0.00 173.24 174.34 1ile s TYR 382 N 1.42 3.43 -0.18 3.44 5.04 0.35 -4.75 117.35 126.09 1ile s TYR 382 Ca -0.01 0.61 -0.02 0.00 -2.44 0.00 0.00 57.07 55.21 1ile s TYR 382 Cb -0.13 -2.42 -0.00 0.00 0.35 0.00 0.00 41.96 39.75 1ile s TYR 382 CO -0.04 0.13 -0.10 -1.17 -1.34 0.00 0.00 175.55 173.03 1ile s LEU 383 N 0.81 2.67 0.13 6.97 1.98 -1.26 -0.01 118.68 129.98 1ile s LEU 383 Ca 0.18 -0.43 -0.25 0.00 -2.89 0.00 0.00 54.13 50.74 1ile s LEU 383 Cb -0.14 -1.64 0.07 0.00 0.66 0.00 0.00 46.19 45.14 1ile s LEU 383 CO 0.06 0.05 0.90 -1.38 -1.89 0.00 0.00 176.35 174.09 1ile s HIS 384 N 1.07 -0.20 0.37 5.38 -3.43 -0.85 -4.99 115.29 112.64 1ile s HIS 384 Ca -0.00 -0.08 -0.25 0.00 -0.80 0.00 0.00 55.06 53.94 1ile s HIS 384 Cb -0.15 0.62 -0.09 0.00 -1.43 0.00 0.00 32.58 31.53 1ile s HIS 384 CO -0.02 -0.81 1.02 -1.54 -2.00 0.00 0.00 174.74 171.39 1ile s SER 385 N -2.83 6.94 -0.12 7.38 1.04 -1.26 0.30 113.70 125.15 1ile s SER 385 Ca 0.10 1.98 -0.26 0.00 0.48 0.00 0.00 55.95 58.25 1ile s SER 385 Cb -0.02 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.58 1ile s SER 385 CO -0.00 -0.36 0.62 -0.47 0.98 0.00 0.00 173.24 174.01 1ile s TYR 386 N -1.65 -0.62 0.34 5.02 6.14 0.87 -4.86 117.35 122.60 1ile s TYR 386 Ca 0.55 1.25 -0.29 0.00 0.64 0.00 0.00 57.07 59.22 1ile s TYR 386 Cb -0.21 0.31 -0.11 0.00 0.42 0.00 0.00 41.96 42.37 1ile s TYR 386 CO 0.27 -0.48 1.55 -1.25 0.64 0.00 0.00 175.55 176.27 1ile s PRO 387 N -0.63 4.10 0.10 4.97 0.04 -1.26 -1.14 135.00 141.19 1ile s PRO 387 Ca -0.07 2.60 0.03 0.00 0.04 0.00 0.00 61.00 63.59 1ile s PRO 387 Cb -0.02 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1ile s PRO 387 CO 0.06 -0.60 -0.08 -1.01 0.04 0.00 0.00 177.00 175.41 1ile s HIS 388 N -0.64 0.96 0.09 0.56 3.76 0.29 -0.79 115.29 119.52 1ile s HIS 388 Ca 0.58 -0.78 -0.37 0.00 -0.15 0.00 0.00 55.06 54.34 1ile s HIS 388 Cb -0.48 -0.54 -0.17 0.00 1.11 0.00 0.00 32.58 32.51 1ile s HIS 388 CO 0.57 -0.07 1.24 0.00 -0.85 0.00 0.00 174.74 175.63 1ile n TRP 390 N 2.11 0.00 0.00 0.00 4.27 -1.26 -4.15 117.44 118.41 1ile n TRP 390 Ca 0.18 -0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.79 1ile n TRP 390 Cb 0.18 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.13 1ile n TRP 390 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1ile n ARG 391 N -0.92 0.00 -1.67 -2.67 5.12 -1.26 -4.96 116.66 110.30 1ile n ARG 391 Ca 0.23 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.79 1ile n ARG 391 Cb 0.12 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.50 1ile n ARG 391 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ile n SER 393 N -2.10 4.16 -4.73 0.00 7.64 -1.26 -3.97 113.62 113.36 1ile n SER 393 Ca 0.15 -3.33 -0.42 0.00 1.01 0.00 0.00 58.87 56.29 1ile n SER 393 Cb 0.49 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.96 1ile n SER 393 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ile s THR 394 N -3.05 2.32 0.12 0.44 -4.23 -1.26 -4.41 115.64 105.56 1ile s THR 394 Ca 0.51 0.25 -0.35 0.00 -1.18 0.00 0.00 61.69 60.92 1ile s THR 394 Cb 0.42 -3.16 -0.15 0.00 1.34 0.00 0.00 72.50 70.95 1ile s THR 394 CO 0.10 0.03 1.49 -2.65 -0.54 0.00 0.00 174.62 173.05 1ile n PRO 395 N 3.03 1.73 -1.77 3.99 -0.02 -1.26 -0.72 135.00 139.98 1ile n PRO 395 Ca 0.11 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.91 1ile n PRO 395 Cb 0.38 -2.34 0.05 0.00 -0.02 0.00 0.00 33.50 31.57 1ile n PRO 395 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ile s LEU 396 N 0.83 2.92 -0.02 2.45 2.96 0.03 -4.74 118.68 123.10 1ile s LEU 396 Ca 0.82 1.28 -0.03 0.00 -0.22 0.00 0.00 54.13 55.98 1ile s LEU 396 Cb -0.80 -4.10 0.01 0.00 0.50 0.00 0.00 46.19 41.80 1ile s LEU 396 CO 0.42 -1.41 0.08 0.00 -1.32 0.00 0.00 176.35 174.12 1ile s MET 397 N -5.24 0.14 0.08 1.98 0.23 -0.76 -4.92 119.30 110.81 1ile s MET 397 Ca 0.58 0.02 -0.28 0.00 -1.03 0.00 0.00 55.69 54.98 1ile s MET 397 Cb -0.12 0.06 -0.06 0.00 -1.53 0.00 0.00 34.83 33.18 1ile s MET 397 CO 0.53 -0.02 0.88 0.71 -2.03 0.00 0.00 175.02 175.09 1ile s TYR 398 N -0.17 3.78 -0.21 3.16 2.02 -1.26 -0.37 117.35 124.30 1ile s TYR 398 Ca -0.02 1.67 -0.19 0.00 -0.37 0.00 0.00 57.07 58.15 1ile s TYR 398 Cb -0.02 -2.96 0.05 0.00 -0.40 0.00 0.00 41.96 38.64 1ile s TYR 398 CO 0.00 0.23 0.56 -0.47 -1.57 0.00 0.00 175.55 174.30 1ile s TYR 399 N -0.01 -0.62 -0.20 2.71 5.04 -0.01 -4.42 117.35 119.84 1ile s TYR 399 Ca 0.44 1.50 -0.26 0.00 -2.44 0.00 0.00 57.07 56.31 1ile s TYR 399 Cb -0.22 0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.29 1ile s TYR 399 CO 0.27 -0.30 0.86 0.00 -1.34 0.00 0.00 175.55 175.05 1ile s ALA 400 N 0.31 3.58 0.23 3.97 0.00 -0.80 -1.64 121.76 127.42 1ile s ALA 400 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 1ile s ALA 400 Cb -0.04 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ile s ALA 400 CO 0.01 -0.80 0.65 -0.08 0.00 0.00 0.00 175.76 175.54 1ile s THR 401 N 2.52 0.00 0.51 0.00 -1.32 -1.19 -4.96 115.64 111.21 1ile s THR 401 Ca 0.38 -0.72 -0.22 0.00 -1.21 0.00 0.00 61.69 59.92 1ile s THR 401 Cb -0.16 -1.68 -0.06 0.00 -1.51 0.00 0.00 72.50 69.09 1ile s THR 401 CO 0.10 -0.02 1.25 -0.70 -2.21 0.00 0.00 174.62 173.05 1ile s GLU 402 N -3.87 3.39 -0.18 7.08 2.12 -1.26 -3.85 118.70 122.13 1ile s GLU 402 Ca 0.09 1.98 -0.28 0.00 0.36 0.00 0.00 54.97 57.12 1ile s GLU 402 Cb -0.04 -2.28 0.09 0.00 0.26 0.00 0.00 34.13 32.17 1ile s GLU 402 CO 0.00 -0.91 0.82 0.45 -0.54 0.00 0.00 175.26 175.08 1ile s SER 403 N -1.21 -0.59 -0.12 -1.70 0.15 -0.54 -4.98 113.70 104.71 1ile s SER 403 Ca 0.69 0.89 -0.04 0.00 0.70 0.00 0.00 55.95 58.19 1ile s SER 403 Cb -0.34 0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1ile s SER 403 CO 0.40 -0.37 0.03 0.26 1.20 0.00 0.00 173.24 174.76 1ile s TRP 404 N -0.46 3.23 0.27 3.44 0.52 -1.26 -0.32 118.94 124.37 1ile s TRP 404 Ca -0.03 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.28 1ile s TRP 404 Cb -0.02 -1.88 -0.06 0.00 -1.15 0.00 0.00 33.47 30.36 1ile s TRP 404 CO 0.03 0.40 0.06 -0.06 0.02 0.00 0.00 176.95 177.40 1ile s PHE 405 N -0.54 1.69 -0.17 -1.98 0.40 -0.17 -0.97 117.98 116.24 1ile s PHE 405 Ca 0.10 -1.04 0.00 0.00 -0.60 0.00 0.00 56.93 55.38 1ile s PHE 405 Cb -0.12 -1.03 0.01 0.00 0.51 0.00 0.00 43.02 42.39 1ile s PHE 405 CO 0.02 -0.15 -0.16 0.42 0.70 0.00 0.00 175.22 176.05 1ile s ILE 406 N -3.52 2.49 -0.42 0.64 1.01 -0.65 -0.94 121.20 119.80 1ile s ILE 406 Ca 0.35 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 60.16 1ile s ILE 406 Cb 0.08 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 1ile s ILE 406 CO 0.13 0.51 1.65 0.29 0.00 0.00 0.00 174.94 177.52 1ile n LYS 407 N 4.38 1.12 0.30 2.79 5.02 0.17 -2.68 118.16 129.25 1ile n LYS 407 Ca -0.20 -0.90 0.19 0.00 -2.02 0.00 0.00 58.31 55.38 1ile n LYS 407 Cb 0.51 -2.12 0.89 0.00 -0.02 0.00 0.00 35.03 34.29 1ile n LYS 407 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1ile h ASN 408 N 6.48 0.00 0.98 4.39 -0.00 -1.89 -1.23 115.58 124.31 1ile h ASN 408 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.54 1ile h ASN 408 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.52 1ile h ASN 408 CO 1.06 0.02 0.00 0.71 -0.00 0.00 0.00 177.43 179.21 1ile h THR 409 N 0.00 0.00 0.00 6.14 1.35 -1.86 0.88 112.91 119.41 1ile h THR 409 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1ile h THR 409 Cb 0.30 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1ile h THR 409 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 1ile n LEU 410 N -3.07 0.00 -0.01 3.87 4.77 -0.47 -1.08 117.00 121.02 1ile n LEU 410 Ca 0.00 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1ile n LEU 410 Cb 0.30 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1ile n LEU 410 CO 0.27 -0.26 0.42 0.49 -1.33 0.00 0.00 177.39 176.98 1ile n PHE 411 N -1.35 0.00 -0.33 -1.77 3.01 0.28 -4.89 117.46 112.42 1ile n PHE 411 Ca 0.03 -0.36 0.27 0.00 1.01 0.00 0.00 57.45 58.41 1ile n PHE 411 Cb 0.07 -0.04 0.52 0.00 -0.01 0.00 0.00 39.48 40.02 1ile n PHE 411 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1ile h LYS 412 N 0.00 0.13 0.07 -1.08 3.64 -0.90 0.53 116.57 118.96 1ile h LYS 412 Ca 0.00 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.09 1ile h LYS 412 Cb 0.67 -0.03 0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1ile h LYS 412 CO 0.00 0.09 -1.16 -0.44 -2.27 0.00 0.00 179.45 175.67 1ile h ASP 413 N 0.14 0.89 -0.13 4.20 5.19 -1.90 -3.23 116.42 121.57 1ile h ASP 413 Ca 0.78 -0.77 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1ile h ASP 413 Cb 1.93 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 41.16 1ile h ASP 413 CO -0.71 1.58 0.08 -0.08 -3.12 0.00 0.00 179.24 176.99 1ile h GLU 414 N 0.33 0.18 -0.95 3.56 4.57 -1.33 -2.20 114.58 118.75 1ile h GLU 414 Ca -0.16 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.15 1ile h GLU 414 Cb 1.82 -0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 30.30 1ile h GLU 414 CO 0.22 0.17 0.60 -0.07 -1.18 0.00 0.00 179.01 178.75 1ile h LEU 415 N 0.14 0.75 -0.56 1.64 3.38 -1.35 0.27 115.31 119.57 1ile h LEU 415 Ca 0.05 0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1ile h LEU 415 Cb 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ile h LEU 415 CO -0.01 0.36 -0.70 0.40 0.09 0.00 0.00 178.44 178.59 1ile h ILE 416 N 0.78 1.46 0.32 1.22 2.04 -1.53 -2.10 117.51 119.71 1ile h ILE 416 Ca 0.49 -2.42 -0.02 0.00 1.00 0.00 0.00 64.86 63.91 1ile h ILE 416 Cb 0.71 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1ile h ILE 416 CO -0.25 0.68 -0.16 -0.09 0.00 0.00 0.00 178.15 178.34 1ile h ARG 417 N 0.00 -0.42 -0.34 2.37 2.43 0.10 -3.11 114.38 115.42 1ile h ARG 417 Ca -0.01 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1ile h ARG 417 Cb 1.26 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 1ile h ARG 417 CO 0.09 -0.12 0.02 -0.91 -1.51 0.00 0.00 179.97 177.54 1ile h ASN 418 N -0.72 0.48 -0.01 -3.80 2.35 -1.18 0.12 115.58 112.82 1ile h ASN 418 Ca -0.04 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1ile h ASN 418 Cb 0.49 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1ile h ASN 418 CO 0.07 0.54 0.03 -1.13 -1.65 0.00 0.00 177.43 175.29 1ile h ASN 419 N 0.50 0.00 0.00 5.81 -0.73 -1.36 0.96 115.58 120.76 1ile h ASN 419 Ca 0.11 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.12 1ile h ASN 419 Cb 0.30 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 1ile h ASN 419 CO 0.01 0.00 -0.53 1.56 -0.37 0.00 0.00 177.43 178.10 1ile h GLN 420 N 0.00 0.57 -0.59 6.67 1.08 -0.89 -3.21 115.11 118.74 1ile h GLN 420 Ca 0.01 -0.35 -0.07 0.00 -1.45 0.00 0.00 58.65 56.79 1ile h GLN 420 Cb 0.07 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1ile h GLN 420 CO -0.00 0.96 0.11 0.93 -0.95 0.00 0.00 178.83 179.88 1ile h GLU 421 N 0.44 0.97 -6.74 1.46 5.08 -0.83 -3.45 114.58 111.51 1ile h GLU 421 Ca 0.01 -0.25 -0.57 0.00 -1.00 0.00 0.00 59.36 57.55 1ile h GLU 421 Cb 1.07 -0.12 0.12 0.00 0.50 0.00 0.00 28.75 30.32 1ile h GLU 421 CO 0.10 0.91 0.39 -0.89 -1.00 0.00 0.00 179.01 178.53 1ile n ILE 422 N -4.32 2.37 -3.35 3.13 5.41 -1.15 -4.95 119.36 116.50 1ile n ILE 422 Ca 0.03 -0.50 -0.45 0.00 1.00 0.00 0.00 62.75 62.83 1ile n ILE 422 Cb 0.26 -1.43 -0.07 0.00 -0.71 0.00 0.00 39.64 37.70 1ile n ILE 422 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1ile s HIS 423 N -1.18 3.24 -0.25 1.39 5.65 -0.67 -5.02 115.29 118.44 1ile s HIS 423 Ca 0.60 -1.05 -0.21 0.00 0.25 0.00 0.00 55.06 54.65 1ile s HIS 423 Cb -0.55 -3.43 -0.02 0.00 -1.18 0.00 0.00 32.58 27.41 1ile s HIS 423 CO 0.59 -0.89 0.67 -1.58 -0.65 0.00 0.00 174.74 172.88 1ile s TRP 424 N 1.67 3.29 0.03 3.88 0.52 -1.26 -1.40 118.94 125.67 1ile s TRP 424 Ca 0.04 0.89 -0.12 0.00 0.02 0.00 0.00 56.10 56.92 1ile s TRP 424 Cb -0.26 -2.88 -0.06 0.00 -1.15 0.00 0.00 33.47 29.11 1ile s TRP 424 CO 0.05 -0.34 1.19 0.28 0.02 0.00 0.00 176.95 178.16 1ile h VAL 425 N 5.41 0.00 -2.69 4.03 2.07 -0.52 -2.92 116.25 121.62 1ile h VAL 425 Ca -0.26 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.69 1ile h VAL 425 Cb 1.12 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1ile h VAL 425 CO 0.79 0.00 1.18 -2.84 0.02 0.00 0.00 177.57 176.72 1ile s PRO 426 N -3.98 3.69 0.22 1.57 0.02 -1.26 -4.79 135.00 130.47 1ile s PRO 426 Ca -0.06 1.68 -0.09 0.00 0.02 0.00 0.00 61.00 62.55 1ile s PRO 426 Cb 0.01 -4.09 0.19 0.00 0.02 0.00 0.00 34.50 30.64 1ile s PRO 426 CO 0.20 -1.42 1.87 -1.35 -0.33 0.00 0.00 177.00 175.97 1ile h PRO 427 N 11.34 0.97 -0.65 5.54 0.11 -1.93 -3.15 132.00 144.23 1ile h PRO 427 Ca -0.35 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ile h PRO 427 Cb 1.16 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ile h PRO 427 CO 1.00 0.64 0.00 -2.39 -0.21 0.00 0.00 178.00 177.05 1ile n HIS 428 N -4.58 0.00 0.09 0.65 1.44 -1.26 -2.66 115.22 108.90 1ile n HIS 428 Ca 0.08 -0.03 0.03 0.00 -2.01 0.00 0.00 57.72 55.80 1ile n HIS 428 Cb 0.05 -0.05 -0.05 0.00 0.12 0.00 0.00 29.99 30.06 1ile n HIS 428 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1ile n ILE 429 N 0.53 0.00 0.15 0.61 5.41 -1.19 -3.33 119.36 121.54 1ile n ILE 429 Ca 0.00 -0.21 -0.13 0.00 1.00 0.00 0.00 62.75 63.40 1ile n ILE 429 Cb 0.07 0.53 -0.08 0.00 -0.71 0.00 0.00 39.64 39.44 1ile n ILE 429 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ile h LYS 430 N 0.00 -0.38 0.02 0.38 3.64 -1.75 0.19 116.57 118.66 1ile h LYS 430 Ca 0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ile h LYS 430 Cb 0.28 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1ile h LYS 430 CO 0.00 -0.07 -0.01 0.93 -2.27 0.00 0.00 179.45 178.03 1ile h GLU 431 N -0.71 -0.02 0.00 1.90 3.07 -1.81 -0.09 114.58 116.91 1ile h GLU 431 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1ile h GLU 431 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1ile h GLU 431 CO 0.07 0.23 0.00 0.41 -1.40 0.00 0.00 179.01 178.32 1ile n GLY 432 N 1.67 -2.81 0.26 -3.84 0.00 -1.21 -2.05 105.19 97.21 1ile n GLY 432 Ca -0.03 -0.22 0.24 0.00 0.00 0.00 0.00 46.02 46.01 1ile n GLY 432 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ile n ARG 433 N 0.00 -0.03 -0.05 1.61 3.00 -1.25 -1.05 116.66 118.89 1ile n ARG 433 Ca 0.00 0.87 -0.04 0.00 -0.00 0.00 0.00 57.85 58.67 1ile n ARG 433 Cb 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 32.46 30.73 1ile n ARG 433 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 1ile n TYR 434 N -4.24 0.00 -0.05 -0.14 9.36 0.65 -4.33 117.16 118.41 1ile n TYR 434 Ca 0.26 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.37 1ile n TYR 434 Cb 0.94 -0.57 -0.05 0.00 -0.63 0.00 0.00 39.34 39.03 1ile n TYR 434 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ile h GLY 435 N 2.46 0.29 0.38 2.98 0.00 0.04 -2.55 103.07 106.67 1ile h GLY 435 Ca -0.29 -0.16 0.09 0.00 0.00 0.00 0.00 47.33 46.97 1ile h GLY 435 CO 0.02 0.15 0.15 -2.09 0.00 0.00 0.00 176.54 174.77 1ile h GLU 436 N 0.12 0.29 -0.37 4.80 4.57 -0.50 0.11 114.58 123.60 1ile h GLU 436 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ile h GLU 436 Cb 0.20 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 1ile h GLU 436 CO -0.00 0.19 0.24 2.35 -1.18 0.00 0.00 179.01 180.61 1ile h TRP 437 N 0.30 0.47 -0.39 0.92 7.01 -1.71 -1.12 115.95 121.44 1ile h TRP 437 Ca 0.27 0.01 -0.13 0.00 2.11 0.00 0.00 58.89 61.15 1ile h TRP 437 Cb 0.34 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 1ile h TRP 437 CO -0.20 0.30 -0.25 -0.07 -2.79 0.00 0.00 178.44 175.43 1ile h LEU 438 N 0.51 0.89 -2.47 0.65 3.38 -0.44 -2.83 115.31 115.00 1ile h LEU 438 Ca 0.14 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1ile h LEU 438 Cb -0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 1ile h LEU 438 CO -0.03 1.12 -0.02 0.11 0.09 0.00 0.00 178.44 179.71 1ile h LYS 439 N 0.65 0.00 -0.26 1.13 1.57 0.16 -1.71 116.57 118.11 1ile h LYS 439 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1ile h LYS 439 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1ile h LYS 439 CO 0.07 0.02 -0.01 0.09 -0.57 0.00 0.00 179.45 179.05 1ile n ASN 440 N -3.66 3.44 -4.41 0.86 5.03 -0.99 -5.05 115.26 110.48 1ile n ASN 440 Ca -0.03 -3.19 -0.40 0.00 0.87 0.00 0.00 54.58 51.84 1ile n ASN 440 Cb 0.11 -0.55 0.02 0.00 -1.02 0.00 0.00 39.78 38.33 1ile n ASN 440 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1ile n LEU 441 N -0.74 -0.62 -3.98 3.41 0.00 -0.65 -4.99 117.00 109.43 1ile n LEU 441 Ca 0.24 0.80 -0.09 0.00 0.00 0.00 0.00 56.01 56.96 1ile n LEU 441 Cb 0.90 -1.07 -0.11 0.00 0.00 0.00 0.00 43.42 43.14 1ile n LEU 441 CO 0.15 -3.37 -0.36 -0.69 0.00 0.00 0.00 177.39 173.12 1ile s VAL 442 N -1.66 0.11 0.38 1.96 1.01 -1.26 -4.94 120.40 116.00 1ile s VAL 442 Ca 0.64 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1ile s VAL 442 Cb -0.54 -0.26 -0.12 0.00 0.00 0.00 0.00 36.38 35.46 1ile s VAL 442 CO 0.59 -0.49 0.89 0.47 0.00 0.00 0.00 175.10 176.56 1ile n ASP 443 N 1.63 0.71 -4.57 3.32 8.00 -1.26 -4.79 116.55 119.59 1ile n ASP 443 Ca -0.24 1.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.89 1ile n ASP 443 Cb 0.55 -1.27 -0.06 0.00 -0.02 0.00 0.00 41.12 40.32 1ile n ASP 443 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1ile s TRP 444 N -1.25 3.13 -0.62 1.24 -0.00 -1.09 -4.79 118.94 115.54 1ile s TRP 444 Ca 0.62 0.37 -0.26 0.00 -0.00 0.00 0.00 56.10 56.83 1ile s TRP 444 Cb -0.62 -3.25 -0.02 0.00 -0.00 0.00 0.00 33.47 29.58 1ile s TRP 444 CO 0.58 -0.69 1.87 0.00 -0.00 0.00 0.00 176.95 178.70 1ile s ALA 445 N 2.86 2.15 -0.08 5.86 0.00 -1.26 -1.64 121.76 129.65 1ile s ALA 445 Ca 0.27 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 1ile s ALA 445 Cb -0.14 -4.32 -0.03 0.00 0.00 0.00 0.00 23.12 18.63 1ile s ALA 445 CO 0.16 -3.94 0.22 1.25 0.00 0.00 0.00 175.76 173.45 1ile h LEU 446 N 16.51 -0.16 -9.67 0.00 5.85 -1.40 -3.41 115.31 123.03 1ile h LEU 446 Ca -0.24 0.01 -0.58 0.00 0.84 0.00 0.00 57.88 57.90 1ile h LEU 446 Cb 1.16 0.04 0.13 0.00 0.37 0.00 0.00 40.66 42.36 1ile h LEU 446 CO 1.22 0.30 0.18 -1.54 -0.34 0.00 0.00 178.44 178.26 1ile n SER 447 N -4.84 1.27 -3.87 1.25 3.41 -1.10 -2.30 113.62 107.45 1ile n SER 447 Ca -0.02 1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 59.44 1ile n SER 447 Cb 0.08 -1.37 -0.15 0.00 -0.26 0.00 0.00 64.21 62.51 1ile n SER 447 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ile s ARG 448 N -2.10 0.35 -1.17 4.33 1.81 0.18 -4.66 118.95 117.69 1ile s ARG 448 Ca 0.64 -0.03 -0.10 0.00 -1.72 0.00 0.00 55.73 54.53 1ile s ARG 448 Cb -0.54 -0.43 0.23 0.00 -0.45 0.00 0.00 34.95 33.77 1ile s ARG 448 CO 0.56 -0.04 1.39 0.09 -0.68 0.00 0.00 175.30 176.61 1ile n ASN 449 N 3.64 5.50 -1.51 0.23 3.02 -1.26 -0.73 115.26 124.15 1ile n ASN 449 Ca -0.21 -3.08 -0.04 0.00 -0.03 0.00 0.00 54.58 51.22 1ile n ASN 449 Cb 0.54 -1.44 -0.01 0.00 -0.61 0.00 0.00 39.78 38.25 1ile n ASN 449 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ile n ARG 450 N 3.65 0.27 -0.00 3.52 5.12 -1.26 -4.65 116.66 123.31 1ile n ARG 450 Ca 0.31 -0.58 0.01 0.00 -1.93 0.00 0.00 57.85 55.66 1ile n ARG 450 Cb 0.39 0.44 -0.02 0.00 -1.16 0.00 0.00 32.46 32.11 1ile n ARG 450 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1ile n TYR 451 N -0.12 0.00 -3.97 -1.55 4.02 -1.26 -4.67 117.16 109.61 1ile n TYR 451 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.59 1ile n TYR 451 Cb 0.10 -0.05 -0.15 0.00 -0.02 0.00 0.00 39.34 39.22 1ile n TYR 451 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 1ile s TRP 452 N -2.13 2.66 -2.39 -0.72 -0.00 -1.26 -4.55 118.94 110.56 1ile s TRP 452 Ca -0.01 -1.98 0.00 0.00 -0.00 0.00 0.00 56.10 54.12 1ile s TRP 452 Cb 0.01 -1.76 0.00 0.00 -0.00 0.00 0.00 33.47 31.72 1ile s TRP 452 CO 0.08 -0.82 0.00 0.41 -0.00 0.00 0.00 176.95 176.62 1ile n GLY 453 N 4.59 -1.39 3.67 5.86 0.00 -1.26 -1.91 105.19 114.76 1ile n GLY 453 Ca -0.11 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1ile n GLY 453 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ile s THR 454 N -2.88 4.75 0.46 2.61 2.01 -1.26 -4.54 115.64 116.79 1ile s THR 454 Ca 0.00 2.01 -0.24 0.00 0.31 0.00 0.00 61.69 63.76 1ile s THR 454 Cb 0.00 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.14 1ile s THR 454 CO 0.00 -0.07 1.34 -2.84 -0.69 0.00 0.00 174.62 172.37 1ile s PRO 455 N 2.50 3.65 -0.23 4.92 0.02 -1.26 -0.60 135.00 144.00 1ile s PRO 455 Ca 0.46 2.22 -0.29 0.00 0.02 0.00 0.00 61.00 63.41 1ile s PRO 455 Cb -0.17 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.79 1ile s PRO 455 CO 0.13 -0.78 1.15 -1.17 -0.33 0.00 0.00 177.00 176.01 1ile s LEU 456 N -2.85 4.09 0.00 -5.54 2.96 -0.88 -4.76 118.68 111.69 1ile s LEU 456 Ca 0.62 1.43 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1ile s LEU 456 Cb -0.39 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.76 1ile s LEU 456 CO 0.50 -0.77 0.26 -0.81 -1.32 0.00 0.00 176.35 174.21 1ile n PRO 457 N 6.60 0.33 -3.83 0.98 -0.04 -1.26 -4.61 135.00 133.17 1ile n PRO 457 Ca 0.13 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.24 1ile n PRO 457 Cb 0.46 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1ile n PRO 457 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ile s ILE 458 N 0.02 5.07 -0.09 0.52 1.01 -1.26 -1.23 121.20 125.25 1ile s ILE 458 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 1ile s ILE 458 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1ile s ILE 458 CO 0.00 0.42 0.00 0.26 0.00 0.00 0.00 174.94 175.62 1ile s TRP 459 N 0.60 3.17 -0.09 3.97 0.51 0.28 -0.43 118.94 126.96 1ile s TRP 459 Ca 0.06 0.19 0.02 0.00 -2.12 0.00 0.00 56.10 54.24 1ile s TRP 459 Cb -0.12 -1.80 -0.02 0.00 -0.81 0.00 0.00 33.47 30.72 1ile s TRP 459 CO 0.01 0.46 -0.14 0.08 -0.51 0.00 0.00 176.95 176.85 1ile s VAL 460 N -0.84 3.06 -0.43 4.03 1.01 -1.12 -1.14 120.40 124.97 1ile s VAL 460 Ca 0.13 -0.69 -0.27 0.00 0.00 0.00 0.00 61.98 61.14 1ile s VAL 460 Cb -0.11 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1ile s VAL 460 CO 0.02 0.56 1.97 0.00 0.00 0.00 0.00 175.10 177.66 1ile h GLN 462 N 14.92 0.00 0.00 0.00 4.15 -0.98 -3.31 115.11 129.89 1ile h GLN 462 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1ile h GLN 462 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1ile h GLN 462 CO 1.10 0.00 0.00 0.00 -1.93 0.00 0.00 178.83 178.00 1ile n ALA 463 N -2.04 1.81 -1.00 3.38 0.00 -1.26 -5.07 120.51 116.33 1ile n ALA 463 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ile n ALA 463 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.69 1ile n ALA 463 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ile n GLY 465 N 2.21 -3.12 0.00 0.00 0.00 -1.26 -4.90 105.19 98.12 1ile n GLY 465 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1ile n GLY 465 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ile n LYS 466 N 0.00 0.00 0.00 1.61 5.02 -1.26 -4.05 118.16 119.48 1ile n LYS 466 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ile n LYS 466 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ile n LYS 466 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1ile n GLU 467 N 0.00 0.00 -3.89 1.97 0.00 -1.24 -4.47 120.64 113.01 1ile n GLU 467 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.06 1ile n GLU 467 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 1ile n GLU 467 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1ile s GLU 468 N 0.00 0.59 -0.12 3.44 2.02 -0.29 -4.98 118.70 119.36 1ile s GLU 468 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.39 1ile s GLU 468 Cb 0.00 0.24 0.01 0.00 0.10 0.00 0.00 34.13 34.48 1ile s GLU 468 CO 0.00 -0.15 -0.20 0.00 0.02 0.00 0.00 175.26 174.92 1ile s ALA 469 N -2.27 2.07 -0.06 5.21 0.00 -1.26 -0.55 121.76 124.89 1ile s ALA 469 Ca -0.08 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.68 1ile s ALA 469 Cb -0.03 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1ile s ALA 469 CO -0.03 0.02 0.71 0.42 0.00 0.00 0.00 175.76 176.88 1ile s ILE 470 N 0.77 5.04 -1.53 0.00 1.09 -0.36 -4.88 121.20 121.33 1ile s ILE 470 Ca -0.09 1.46 0.16 0.00 -1.10 0.00 0.00 60.65 61.07 1ile s ILE 470 Cb -0.16 -4.05 0.02 0.00 -1.06 0.00 0.00 42.46 37.21 1ile s ILE 470 CO 0.00 0.25 0.87 0.61 -0.10 0.00 0.00 174.94 176.57 1ile n GLY 471 N 3.10 -0.01 3.51 6.18 0.00 -1.26 -4.63 105.19 112.08 1ile n GLY 471 Ca -0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 1ile n GLY 471 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ile s SER 472 N -1.79 -0.55 0.57 1.61 1.04 -1.26 -2.70 113.70 110.60 1ile s SER 472 Ca 0.14 0.45 0.25 0.00 0.48 0.00 0.00 55.95 57.26 1ile s SER 472 Cb 0.13 0.49 1.63 0.00 0.10 0.00 0.00 66.02 68.36 1ile s SER 472 CO 0.37 -0.62 2.22 -0.26 0.98 0.00 0.00 173.24 175.92 1ile h PHE 473 N 2.62 0.00 0.33 5.02 0.04 -1.95 -0.03 116.94 122.97 1ile h PHE 473 Ca -0.26 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.49 1ile h PHE 473 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1ile h PHE 473 CO 0.32 0.00 -0.16 0.37 -0.60 0.00 0.00 178.31 178.24 1ile h GLN 474 N 0.00 -0.43 0.71 1.51 5.75 -1.99 0.31 115.11 120.97 1ile h GLN 474 Ca 0.00 0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1ile h GLN 474 Cb 0.02 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1ile h GLN 474 CO -0.00 -0.22 -0.49 0.93 -2.65 0.00 0.00 178.83 176.40 1ile h GLU 475 N -0.54 -1.10 -0.80 1.69 5.08 -1.71 -2.30 114.58 114.89 1ile h GLU 475 Ca -0.05 0.08 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 1ile h GLU 475 Cb 0.40 0.25 -0.15 0.00 0.50 0.00 0.00 28.75 29.75 1ile h GLU 475 CO 0.07 -0.74 -0.18 1.25 -1.00 0.00 0.00 179.01 178.42 1ile h LEU 476 N -1.15 -0.72 -0.72 1.33 6.46 -0.91 0.41 115.31 120.02 1ile h LEU 476 Ca -0.09 0.24 0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1ile h LEU 476 Cb 0.94 0.49 -0.05 0.00 -0.73 0.00 0.00 40.66 41.30 1ile h LEU 476 CO 0.06 -0.26 0.43 0.50 -0.62 0.00 0.00 178.44 178.55 1ile h LYS 477 N 0.01 0.78 -0.21 1.25 1.63 -0.25 -1.45 116.57 118.33 1ile h LYS 477 Ca 0.39 -0.05 -0.16 0.00 -0.85 0.00 0.00 60.65 59.98 1ile h LYS 477 Cb 0.61 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 1ile h LYS 477 CO -0.82 0.52 -0.53 0.00 -3.45 0.00 0.00 179.45 175.17 1ile h ALA 478 N 1.35 0.69 0.00 5.00 0.00 0.31 -3.24 119.26 123.38 1ile h ALA 478 Ca 0.31 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1ile h ALA 478 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1ile h ALA 478 CO -0.16 0.68 -0.71 0.00 0.00 0.00 0.00 179.25 179.06 1ile h ARG 479 N 0.46 0.00 -6.82 0.00 2.47 -0.73 -3.47 114.38 106.29 1ile h ARG 479 Ca 0.01 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.17 1ile h ARG 479 Cb 1.07 0.00 0.14 0.00 -1.65 0.00 0.00 29.97 29.53 1ile h ARG 479 CO 0.10 0.71 0.31 0.00 0.56 0.00 0.00 179.97 181.65 1ile n ALA 480 N -2.30 0.70 -0.00 0.04 0.00 -0.57 -3.16 120.51 115.22 1ile n ALA 480 Ca 0.01 0.14 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ile n ALA 480 Cb 0.79 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.06 1ile n ALA 480 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ile h THR 481 N 1.29 0.00 -3.73 0.00 1.35 -0.28 -3.46 112.91 108.08 1ile h THR 481 Ca -0.48 -0.08 -0.49 0.00 -0.55 0.00 0.00 66.41 64.81 1ile h THR 481 Cb 1.33 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 1ile h THR 481 CO 0.55 0.00 0.24 -0.54 -0.25 0.00 0.00 175.52 175.53 1ile s LYS 482 N -1.11 4.48 0.45 4.72 -0.14 -1.26 -5.02 119.74 121.86 1ile s LYS 482 Ca -0.00 1.16 -0.25 0.00 -1.36 0.00 0.00 55.97 55.52 1ile s LYS 482 Cb 0.00 -2.91 -0.08 0.00 -1.68 0.00 0.00 37.83 33.17 1ile s LYS 482 CO 0.00 0.37 1.32 -1.25 -0.76 0.00 0.00 175.35 175.03 1ile s PRO 483 N -1.88 3.73 0.69 -1.68 0.04 -1.26 -4.89 135.00 129.75 1ile s PRO 483 Ca 0.46 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.52 1ile s PRO 483 Cb -0.19 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.76 1ile s PRO 483 CO 0.24 -0.69 1.18 -0.51 0.04 0.00 0.00 177.00 177.25 1ile s LEU 484 N -2.76 3.40 0.68 -3.56 1.43 -1.26 -4.99 118.68 111.62 1ile s LEU 484 Ca 0.61 2.26 -0.17 0.00 -1.03 0.00 0.00 54.13 55.81 1ile s LEU 484 Cb -0.39 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.26 1ile s LEU 484 CO 0.49 -1.97 1.24 -2.16 0.23 0.00 0.00 176.35 174.18 1ile s PRO 485 N -3.85 2.41 0.15 1.29 0.04 -1.26 -4.93 135.00 128.86 1ile s PRO 485 Ca 0.73 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 63.41 1ile s PRO 485 Cb -0.27 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1ile s PRO 485 CO 0.42 -1.65 1.60 0.93 0.04 0.00 0.00 177.00 178.33 1ile h GLU 486 N 0.20 -0.30 -3.78 4.56 5.08 -2.06 -3.16 114.58 115.11 1ile h GLU 486 Ca -0.49 0.02 -0.75 0.00 -1.00 0.00 0.00 59.36 57.14 1ile h GLU 486 Cb 1.31 0.07 -0.29 0.00 0.50 0.00 0.00 28.75 30.34 1ile h GLU 486 CO 0.52 -0.20 -0.11 -2.14 -1.00 0.00 0.00 179.01 176.08 1ile s PRO 487 N -5.98 3.14 -0.33 2.33 0.02 -1.26 -5.05 135.00 127.87 1ile s PRO 487 Ca -0.15 -2.42 -0.29 0.00 0.02 0.00 0.00 61.00 58.16 1ile s PRO 487 Cb 0.12 -4.14 -0.01 0.00 0.02 0.00 0.00 34.50 30.49 1ile s PRO 487 CO 0.67 -1.24 1.61 0.12 -0.33 0.00 0.00 177.00 177.82 1ile s PHE 488 N 0.20 2.11 -0.45 6.54 5.36 -1.20 -4.98 117.98 125.56 1ile s PHE 488 Ca 0.16 0.63 -0.14 0.00 -0.96 0.00 0.00 56.93 56.63 1ile s PHE 488 Cb -0.15 -4.14 0.07 0.00 -0.34 0.00 0.00 43.02 38.45 1ile s PHE 488 CO -0.06 -2.58 0.35 0.34 -1.46 0.00 0.00 175.22 171.81 1ile s ASP 489 N 4.80 6.00 -0.09 6.13 2.15 -1.26 -4.95 116.67 129.45 1ile s ASP 489 Ca 0.71 -1.36 -0.03 0.00 0.43 0.00 0.00 52.55 52.30 1ile s ASP 489 Cb -0.20 -2.12 -0.13 0.00 -0.30 0.00 0.00 42.92 40.17 1ile s ASP 489 CO 0.32 -0.60 2.08 -0.81 -0.17 0.00 0.00 175.17 175.98 1ile n PRO 490 N 5.12 1.11 -4.44 4.34 -0.04 -1.26 -4.43 135.00 135.40 1ile n PRO 490 Ca -0.12 -0.60 -0.26 0.00 -0.04 0.00 0.00 63.50 62.48 1ile n PRO 490 Cb 0.44 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.96 1ile n PRO 490 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1ile s HIS 491 N 2.15 2.30 0.00 0.54 3.76 -1.26 -4.54 115.29 118.25 1ile s HIS 491 Ca 0.34 -0.34 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1ile s HIS 491 Cb 0.15 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.76 1ile s HIS 491 CO -0.00 0.59 0.00 -2.13 -0.85 0.00 0.00 174.74 172.35 1ile n ARG 492 N -0.10 0.00 0.03 1.40 3.00 -1.26 -1.80 116.66 117.93 1ile n ARG 492 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.63 1ile n ARG 492 Cb 0.58 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 32.95 1ile n ARG 492 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1ile h PRO 493 N 0.00 -0.06 -0.06 -0.14 0.11 -1.93 -3.21 132.00 126.71 1ile h PRO 493 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 1ile h PRO 493 Cb 0.00 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1ile h PRO 493 CO 0.00 0.25 -0.42 1.88 -0.21 0.00 0.00 178.00 179.50 1ile h TYR 494 N -0.38 0.14 0.00 0.65 0.05 -1.64 -2.93 116.97 112.87 1ile h TYR 494 Ca -0.01 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 1ile h TYR 494 Cb 0.34 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1ile h TYR 494 CO 0.03 0.52 -0.24 -0.39 -1.05 0.00 0.00 178.16 177.03 1ile h VAL 495 N 0.10 0.52 0.00 -2.88 -1.51 -1.43 -3.03 116.25 108.02 1ile h VAL 495 Ca 0.01 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.19 1ile h VAL 495 Cb 0.78 1.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1ile h VAL 495 CO 0.06 0.24 0.00 0.47 -1.23 0.00 0.00 177.57 177.11 1ile n ASP 496 N -3.30 0.00 -1.26 4.19 8.00 -1.10 -2.59 116.55 120.48 1ile n ASP 496 Ca 0.01 0.16 0.08 0.00 0.71 0.00 0.00 54.79 55.75 1ile n ASP 496 Cb 0.50 -0.36 0.30 0.00 -0.02 0.00 0.00 41.12 41.54 1ile n ASP 496 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ile n GLN 497 N -1.36 3.59 -3.64 -1.24 1.13 -1.14 -4.84 117.38 109.88 1ile n GLN 497 Ca 0.09 -2.83 -0.38 0.00 -1.94 0.00 0.00 57.00 51.94 1ile n GLN 497 Cb 0.21 -1.89 -0.11 0.00 0.11 0.00 0.00 30.24 28.55 1ile n GLN 497 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1ile s VAL 498 N -2.36 5.01 -0.09 5.09 1.01 -1.07 -5.02 120.40 122.96 1ile s VAL 498 Ca 0.45 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1ile s VAL 498 Cb 0.33 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1ile s VAL 498 CO 0.15 0.27 -0.11 -1.61 0.00 0.00 0.00 175.10 173.79 1ile s GLU 499 N 1.71 2.99 0.12 2.72 2.02 -1.26 -4.32 118.70 122.69 1ile s GLU 499 Ca 0.07 -0.65 0.05 0.00 0.02 0.00 0.00 54.97 54.47 1ile s GLU 499 Cb -0.16 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 1ile s GLU 499 CO 0.09 0.44 0.01 -0.51 0.02 0.00 0.00 175.26 175.31 1ile s LEU 500 N -0.23 3.46 -0.44 1.80 1.43 -0.83 0.51 118.68 124.38 1ile s LEU 500 Ca 0.02 -0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 1ile s LEU 500 Cb -0.13 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.96 1ile s LEU 500 CO 0.03 0.14 1.09 0.00 0.23 0.00 0.00 176.35 177.84 1ile s ALA 501 N -1.45 3.24 -0.20 4.21 0.00 -1.19 0.12 121.76 126.49 1ile s ALA 501 Ca 0.27 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.52 1ile s ALA 501 Cb -0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.15 1ile s ALA 501 CO 0.19 -2.05 2.12 0.00 0.00 0.00 0.00 175.76 176.02 1ile h ALA 503 N 14.15 3.13 0.00 0.00 0.00 -1.92 0.56 119.26 135.18 1ile h ALA 503 Ca -0.41 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ile h ALA 503 Cb 1.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ile h ALA 503 CO 0.97 -1.51 0.26 0.00 0.00 0.00 0.00 179.25 178.97 1ile n GLY 505 N -1.28 0.54 0.00 0.00 0.00 0.19 -5.00 105.19 99.64 1ile n GLY 505 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ile n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ile n GLY 506 N 0.00 1.35 3.94 -0.02 0.00 -1.03 -4.83 105.19 104.61 1ile n GLY 506 Ca 0.00 -1.98 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 1ile n GLY 506 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ile s THR 507 N 1.31 5.32 -0.04 2.61 2.01 -1.26 0.18 115.64 125.77 1ile s THR 507 Ca 0.00 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.37 1ile s THR 507 Cb 0.00 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 1ile s THR 507 CO 0.00 -0.11 -0.20 -0.04 -0.69 0.00 0.00 174.62 173.58 1ile s MET 508 N -3.28 1.89 -0.10 4.92 1.00 0.33 -0.35 119.30 123.70 1ile s MET 508 Ca 0.35 -0.71 0.02 0.00 0.00 0.00 0.00 55.69 55.34 1ile s MET 508 Cb -0.11 -1.69 0.02 0.00 0.00 0.00 0.00 34.83 33.05 1ile s MET 508 CO 0.29 0.34 -0.14 1.03 0.00 0.00 0.00 175.02 176.54 1ile s ARG 509 N -0.19 2.10 0.73 2.03 0.52 -0.71 -1.97 118.95 121.46 1ile s ARG 509 Ca 0.01 -0.52 -0.16 0.00 -0.52 0.00 0.00 55.73 54.54 1ile s ARG 509 Cb -0.11 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1ile s ARG 509 CO 0.01 -0.07 0.85 2.89 0.02 0.00 0.00 175.30 179.01 1ile n ARG 510 N 4.20 0.41 -0.92 3.54 1.85 -1.26 -2.80 116.66 121.68 1ile n ARG 510 Ca -0.19 0.19 -0.29 0.00 -1.00 0.00 0.00 57.85 56.56 1ile n ARG 510 Cb 0.51 -2.12 0.22 0.00 -1.05 0.00 0.00 32.46 30.02 1ile n ARG 510 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1ile s VAL 511 N -1.88 1.84 -0.06 8.89 -7.23 0.43 -4.85 120.40 117.53 1ile s VAL 511 Ca 0.71 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.85 1ile s VAL 511 Cb -0.34 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1ile s VAL 511 CO 0.53 0.00 0.15 1.55 -0.31 0.00 0.00 175.10 177.02 1ile h PRO 512 N -2.40 -0.11 0.00 4.82 0.13 -1.92 -3.47 132.00 129.04 1ile h PRO 512 Ca -0.54 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ile h PRO 512 Cb 1.33 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1ile h PRO 512 CO 0.48 -0.07 0.00 0.66 -0.23 0.00 0.00 178.00 178.84 1ile n TYR 513 N -4.24 0.00 -4.15 1.56 4.01 -1.26 -4.69 117.16 108.39 1ile n TYR 513 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 1ile n TYR 513 Cb 0.04 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.97 1ile n TYR 513 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1ile s VAL 514 N 0.00 0.76 0.58 -0.72 1.01 0.09 -2.07 120.40 120.05 1ile s VAL 514 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 61.98 60.21 1ile s VAL 514 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 1ile s VAL 514 CO 0.00 -0.63 1.03 -0.63 0.00 0.00 0.00 175.10 174.87 1ile s ILE 515 N -2.62 4.18 0.33 2.22 1.09 0.23 0.50 121.20 127.15 1ile s ILE 515 Ca 0.04 0.98 -0.29 0.00 -1.10 0.00 0.00 60.65 60.28 1ile s ILE 515 Cb -0.02 -3.55 -0.11 0.00 -1.06 0.00 0.00 42.46 37.72 1ile s ILE 515 CO -0.02 -0.66 1.41 -0.62 -0.10 0.00 0.00 174.94 174.96 1ile s ASP 516 N -3.11 6.57 0.37 3.58 2.15 -0.97 -4.64 116.67 120.61 1ile s ASP 516 Ca 0.61 2.84 0.05 0.00 0.43 0.00 0.00 52.55 56.47 1ile s ASP 516 Cb -0.13 -2.65 0.73 0.00 -0.30 0.00 0.00 42.92 40.57 1ile s ASP 516 CO 0.38 -0.71 1.99 -0.37 -0.17 0.00 0.00 175.17 176.29 1ile h VAL 517 N 3.12 1.08 0.00 1.11 -1.51 -1.93 -1.94 116.25 116.17 1ile h VAL 517 Ca -0.49 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1ile h VAL 517 Cb 1.23 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 1ile h VAL 517 CO 0.68 0.14 0.00 -0.50 -1.23 0.00 0.00 177.57 176.66 1ile h TRP 518 N 0.75 0.00 0.03 5.19 4.06 -1.98 -0.32 115.95 123.69 1ile h TRP 518 Ca 0.26 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.08 1ile h TRP 518 Cb 0.10 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1ile h TRP 518 CO -0.00 0.00 -0.52 -0.92 -3.56 0.00 0.00 178.44 173.44 1ile h TYR 519 N 0.00 0.46 -0.30 0.49 5.03 -1.72 -1.99 116.97 118.95 1ile h TYR 519 Ca 0.00 -0.27 0.07 0.00 2.58 0.00 0.00 58.73 61.10 1ile h TYR 519 Cb 0.06 -0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.23 1ile h TYR 519 CO 0.00 1.12 -0.16 -0.44 -1.32 0.00 0.00 178.16 177.36 1ile h ASP 520 N -0.32 -0.53 -0.72 -2.11 3.32 -1.15 -0.23 116.42 114.68 1ile h ASP 520 Ca -0.07 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1ile h ASP 520 Cb 1.29 0.29 -0.04 0.00 0.22 0.00 0.00 39.33 41.08 1ile h ASP 520 CO 0.10 -0.19 0.47 0.28 -1.72 0.00 0.00 179.24 178.18 1ile h SER 521 N -0.12 0.81 0.71 6.45 0.02 -1.53 -2.57 113.55 117.32 1ile h SER 521 Ca 0.16 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1ile h SER 521 Cb 0.36 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1ile h SER 521 CO -0.37 0.58 -0.35 1.23 -1.14 0.00 0.00 176.83 176.78 1ile h GLY 522 N 0.96 0.00 2.00 -3.77 0.00 -0.57 -2.78 103.07 98.90 1ile h GLY 522 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1ile h GLY 522 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.47 1ile n ALA 523 N -2.32 2.15 -0.29 3.60 0.00 -0.17 -4.21 120.51 119.27 1ile n ALA 523 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1ile n ALA 523 Cb 0.46 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1ile n ALA 523 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ile n MET 524 N -2.10 -0.26 -0.45 0.00 1.56 -1.05 0.11 117.12 114.93 1ile n MET 524 Ca 0.05 1.09 0.39 0.00 -0.27 0.00 0.00 57.70 58.96 1ile n MET 524 Cb 0.37 -1.61 0.67 0.00 2.15 0.00 0.00 33.22 34.79 1ile n MET 524 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1ile h PRO 525 N 0.00 0.02 0.00 2.12 0.11 -1.83 1.00 132.00 133.41 1ile h PRO 525 Ca 0.17 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1ile h PRO 525 Cb 0.35 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1ile h PRO 525 CO -0.69 0.01 -1.19 1.97 -0.21 0.00 0.00 178.00 177.90 1ile n PHE 526 N -4.79 0.00 -0.09 0.65 -1.74 -0.45 -4.61 117.46 106.44 1ile n PHE 526 Ca 0.40 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 57.19 1ile n PHE 526 Cb 1.52 -0.10 -0.03 0.00 1.52 0.00 0.00 39.48 42.39 1ile n PHE 526 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1ile h ALA 527 N 0.32 0.38 -0.77 1.98 0.00 0.28 -1.98 119.26 119.47 1ile h ALA 527 Ca -0.02 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ile h ALA 527 Cb 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1ile h ALA 527 CO 0.00 -0.02 0.51 0.66 0.00 0.00 0.00 179.25 180.41 1ile h SER 528 N 0.32 0.85 -4.00 0.00 4.64 -1.11 -3.39 113.55 110.87 1ile h SER 528 Ca 0.10 -0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.92 1ile h SER 528 Cb 0.19 -0.20 0.07 0.00 -0.31 0.00 0.00 62.40 62.15 1ile h SER 528 CO -0.01 0.60 0.28 -0.76 -0.87 0.00 0.00 176.83 176.07 1ile s LEU 529 N -9.86 3.01 -0.41 5.97 1.43 -1.09 -4.89 118.68 112.85 1ile s LEU 529 Ca -0.11 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1ile s LEU 529 Cb 0.18 -3.58 0.24 0.00 0.03 0.00 0.00 46.19 43.07 1ile s LEU 529 CO 0.78 -1.29 2.10 1.57 0.23 0.00 0.00 176.35 179.75 1ile n HIS 530 N -2.82 1.89 0.00 0.29 -0.00 -1.26 -4.85 115.22 108.47 1ile n HIS 530 Ca 0.06 -2.18 0.00 0.00 -0.00 0.00 0.00 57.72 55.60 1ile n HIS 530 Cb 0.58 -1.10 0.00 0.00 -0.00 0.00 0.00 29.99 29.47 1ile n HIS 530 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 1ile n TYR 531 N 0.15 0.00 -0.05 1.57 9.36 -0.77 -1.26 117.16 126.17 1ile n TYR 531 Ca 0.39 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.52 1ile n TYR 531 Cb 0.58 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.27 1ile n TYR 531 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1ile h PRO 532 N 0.00 0.21 0.00 2.98 0.11 -1.91 -2.58 132.00 130.81 1ile h PRO 532 Ca 0.00 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1ile h PRO 532 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 1ile h PRO 532 CO 0.00 0.14 -0.29 0.74 -0.21 0.00 0.00 178.00 178.38 1ile h PHE 533 N 0.21 0.00 0.00 0.65 -1.00 -1.75 -3.45 116.94 111.60 1ile h PHE 533 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1ile h PHE 533 Cb 0.04 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.60 1ile h PHE 533 CO -0.11 0.29 0.00 0.39 -1.61 0.00 0.00 178.31 177.27 1ile n GLU 534 N -3.68 0.00 -0.44 1.51 1.02 -0.39 -4.98 120.64 113.69 1ile n GLU 534 Ca -0.01 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.90 1ile n GLU 534 Cb 0.40 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.76 1ile n GLU 534 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ile n HIS 535 N 0.00 0.00 0.39 -0.32 8.25 -1.23 -4.66 115.22 117.64 1ile n HIS 535 Ca 0.00 -0.39 -0.18 0.00 -0.26 0.00 0.00 57.72 56.89 1ile n HIS 535 Cb 0.00 -0.62 -0.09 0.00 1.12 0.00 0.00 29.99 30.40 1ile n HIS 535 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1ile h GLU 536 N 8.62 -0.92 -0.41 -0.41 4.22 -1.87 0.15 114.58 123.96 1ile h GLU 536 Ca 0.13 0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.64 1ile h GLU 536 Cb 0.43 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ile h GLU 536 CO 1.38 -0.61 0.26 1.05 -2.18 0.00 0.00 179.01 178.91 1ile h GLU 537 N -0.99 0.52 -0.06 1.92 9.09 -1.94 -0.17 114.58 122.95 1ile h GLU 537 Ca -0.10 -0.03 0.01 0.00 0.05 0.00 0.00 59.36 59.29 1ile h GLU 537 Cb 0.74 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.71 1ile h GLU 537 CO 0.16 0.34 -0.03 0.28 0.05 0.00 0.00 179.01 179.82 1ile h VAL 538 N 0.54 0.91 -0.45 -1.06 2.07 -1.90 -0.86 116.25 115.50 1ile h VAL 538 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1ile h VAL 538 Cb -0.05 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1ile h VAL 538 CO -0.04 0.00 0.19 0.15 0.02 0.00 0.00 177.57 177.89 1ile h PHE 539 N -0.02 0.34 -0.80 1.57 3.57 -0.39 0.26 116.94 121.45 1ile h PHE 539 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1ile h PHE 539 Cb 0.07 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1ile h PHE 539 CO -0.13 0.14 0.51 0.00 -2.23 0.00 0.00 178.31 176.60 1ile h ARG 540 N 0.38 1.08 -0.11 1.11 3.08 -0.61 1.10 114.38 120.40 1ile h ARG 540 Ca 0.20 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 1ile h ARG 540 Cb 0.16 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1ile h ARG 540 CO -0.18 0.74 -0.34 0.93 -1.07 0.00 0.00 179.97 180.05 1ile h GLU 541 N 1.10 0.23 -0.28 0.04 5.08 -0.50 -3.26 114.58 116.98 1ile h GLU 541 Ca 0.29 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1ile h GLU 541 Cb -0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1ile h GLU 541 CO -0.06 0.55 0.00 -1.13 -1.00 0.00 0.00 179.01 177.37 1ile n SER 542 N -4.09 2.73 0.00 1.42 3.41 0.02 -4.94 113.62 112.18 1ile n SER 542 Ca -0.01 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1ile n SER 542 Cb 0.43 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ile n SER 542 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1ile n PHE 543 N 0.51 0.00 -1.57 7.33 7.35 0.37 -4.28 117.46 127.18 1ile n PHE 543 Ca 0.10 0.00 -0.51 0.00 -0.76 0.00 0.00 57.45 56.29 1ile n PHE 543 Cb 0.40 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.16 1ile n PHE 543 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1ile n PRO 544 N 0.00 1.45 -1.84 -7.13 -0.02 -1.26 -4.85 135.00 121.35 1ile n PRO 544 Ca 0.00 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1ile n PRO 544 Cb 0.00 -2.50 0.05 0.00 -0.02 0.00 0.00 33.50 31.02 1ile n PRO 544 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ile s ALA 545 N 5.85 2.43 -0.07 3.55 0.00 -0.73 -4.77 121.76 128.03 1ile s ALA 545 Ca 1.02 0.89 0.13 0.00 0.00 0.00 0.00 51.96 54.00 1ile s ALA 545 Cb -0.81 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 18.83 1ile s ALA 545 CO 0.52 -1.33 1.31 -0.44 0.00 0.00 0.00 175.76 175.81 1ile h ASP 546 N 0.47 0.00 -5.07 0.00 5.19 -0.76 0.13 116.42 116.38 1ile h ASP 546 Ca -0.49 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.84 1ile h ASP 546 Cb 1.29 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.64 1ile h ASP 546 CO 0.54 0.67 -0.19 0.12 -3.12 0.00 0.00 179.24 177.25 1ile s PHE 547 N -2.87 -0.13 -0.12 4.55 5.36 -1.12 -0.85 117.98 122.80 1ile s PHE 547 Ca 0.02 -0.08 -0.29 0.00 -0.96 0.00 0.00 56.93 55.62 1ile s PHE 547 Cb 0.08 0.14 0.07 0.00 -0.34 0.00 0.00 43.02 42.97 1ile s PHE 547 CO 0.78 -0.57 0.70 0.96 -1.46 0.00 0.00 175.22 175.62 1ile s ILE 548 N -3.04 0.00 -0.08 3.12 -4.36 -0.55 -3.09 121.20 113.20 1ile s ILE 548 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.34 1ile s ILE 548 Cb 0.01 -1.00 0.04 0.00 1.25 0.00 0.00 42.46 42.76 1ile s ILE 548 CO -0.06 0.00 0.16 0.00 0.24 0.00 0.00 174.94 175.28 1ile s ALA 549 N -0.73 -0.25 0.38 2.27 0.00 -1.26 -1.64 121.76 120.53 1ile s ALA 549 Ca -0.08 0.66 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1ile s ALA 549 Cb -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1ile s ALA 549 CO 0.07 -0.32 0.66 -1.21 0.00 0.00 0.00 175.76 174.96 1ile s GLU 550 N 1.63 2.15 0.57 0.00 0.41 -1.11 -4.82 118.70 117.53 1ile s GLU 550 Ca -0.04 -1.63 -0.18 0.00 -0.41 0.00 0.00 54.97 52.70 1ile s GLU 550 Cb -0.12 0.55 -0.04 0.00 -1.78 0.00 0.00 34.13 32.74 1ile s GLU 550 CO -0.06 -0.96 1.10 0.20 -0.49 0.00 0.00 175.26 175.05 1ile s GLY 551 N -3.17 2.41 0.36 -1.39 0.00 -1.26 -2.45 107.32 101.82 1ile s GLY 551 Ca 0.23 0.65 0.06 0.00 0.00 0.00 0.00 44.72 45.66 1ile s GLY 551 CO 0.16 0.99 1.94 1.19 0.00 0.00 0.00 173.10 177.39 1ile h ILE 552 N 0.83 1.00 0.00 0.90 6.09 -1.82 -0.48 117.51 124.03 1ile h ILE 552 Ca -0.49 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.74 1ile h ILE 552 Cb 1.24 0.17 0.00 0.00 0.47 0.00 0.00 36.82 38.70 1ile h ILE 552 CO 0.57 0.14 0.00 -0.90 -3.07 0.00 0.00 178.15 174.89 1ile n ASP 553 N -4.49 0.00 -0.28 2.19 5.68 -1.26 -1.43 116.55 116.96 1ile n ASP 553 Ca 0.12 -0.06 0.15 0.00 -0.50 0.00 0.00 54.79 54.49 1ile n ASP 553 Cb 0.26 -0.05 0.67 0.00 -1.14 0.00 0.00 41.12 40.86 1ile n ASP 553 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ile n GLN 554 N -1.05 1.33 0.22 0.11 1.13 -0.19 -3.19 117.38 115.73 1ile n GLN 554 Ca 0.03 -0.56 0.15 0.00 -1.94 0.00 0.00 57.00 54.68 1ile n GLN 554 Cb 0.02 -1.49 0.67 0.00 0.11 0.00 0.00 30.24 29.55 1ile n GLN 554 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1ile h THR 555 N 1.36 0.00 -0.16 5.09 1.35 -1.46 0.12 112.91 119.20 1ile h THR 555 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1ile h THR 555 Cb 0.32 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1ile h THR 555 CO 0.00 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.81 1ile n ARG 556 N -2.65 1.65 0.00 4.72 5.12 -1.19 -4.34 116.66 119.97 1ile n ARG 556 Ca 0.00 -1.67 0.00 0.00 -1.93 0.00 0.00 57.85 54.25 1ile n ARG 556 Cb 0.21 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1ile n ARG 556 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ile n GLY 557 N 0.86 2.57 0.31 -0.13 0.00 0.37 -4.71 105.19 104.47 1ile n GLY 557 Ca 0.11 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1ile n GLY 557 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1ile h TRP 558 N 0.00 0.74 0.48 1.61 7.01 -1.92 -1.03 115.95 122.84 1ile h TRP 558 Ca 0.00 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 1ile h TRP 558 Cb 0.00 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.85 1ile h TRP 558 CO 0.00 0.08 -0.46 0.74 -2.79 0.00 0.00 178.44 176.02 1ile h PHE 559 N 0.53 -1.25 -0.73 2.65 0.04 -1.84 -0.61 116.94 115.73 1ile h PHE 559 Ca 0.52 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.42 1ile h PHE 559 Cb 0.86 0.48 -0.09 0.00 2.20 0.00 0.00 35.95 39.41 1ile h PHE 559 CO -0.10 -0.62 0.31 -0.97 -0.60 0.00 0.00 178.31 176.33 1ile h ASN 560 N -0.94 0.33 1.28 2.17 -0.73 -1.39 -0.23 115.58 116.08 1ile h ASN 560 Ca -0.05 0.09 -0.07 0.00 1.87 0.00 0.00 56.30 58.14 1ile h ASN 560 Cb 0.82 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 1ile h ASN 560 CO -0.05 0.16 -0.35 0.77 -0.37 0.00 0.00 177.43 177.59 1ile h SER 561 N 0.49 0.00 0.14 1.15 4.64 -1.09 -1.78 113.55 117.11 1ile h SER 561 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.70 1ile h SER 561 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1ile h SER 561 CO -0.36 0.35 -0.07 -0.07 -0.87 0.00 0.00 176.83 175.81 1ile h LEU 562 N 0.00 -0.16 0.25 5.97 3.38 0.08 -2.05 115.31 122.77 1ile h LEU 562 Ca -0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1ile h LEU 562 Cb 1.08 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1ile h LEU 562 CO 0.05 0.31 -0.52 -0.74 0.09 0.00 0.00 178.44 177.63 1ile h HIS 563 N -0.69 -1.47 -0.63 1.13 2.76 -1.05 0.32 115.15 115.51 1ile h HIS 563 Ca -0.02 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 1ile h HIS 563 Cb 0.51 0.61 -0.08 0.00 1.55 0.00 0.00 27.41 30.00 1ile h HIS 563 CO 0.07 -0.62 0.21 1.96 -1.30 0.00 0.00 177.93 178.26 1ile h GLN 564 N -0.83 0.36 -0.20 5.26 4.20 -1.42 0.90 115.11 123.38 1ile h GLN 564 Ca -0.02 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1ile h GLN 564 Cb 0.80 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 1ile h GLN 564 CO -0.21 0.24 -0.36 -0.07 -0.67 0.00 0.00 178.83 177.76 1ile h LEU 565 N 0.38 0.44 -0.19 1.46 4.07 -0.85 -2.05 115.31 118.57 1ile h LEU 565 Ca 0.33 -0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1ile h LEU 565 Cb 0.45 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1ile h LEU 565 CO -0.35 0.77 0.12 1.23 -1.08 0.00 0.00 178.44 179.13 1ile h GLY 566 N 1.10 0.27 0.80 0.83 0.00 0.20 -1.80 103.07 104.46 1ile h GLY 566 Ca 0.04 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1ile h GLY 566 CO 0.06 0.11 -0.36 -2.08 0.00 0.00 0.00 176.54 174.27 1ile h VAL 567 N 0.24 1.38 -0.03 4.60 2.07 -0.68 -0.53 116.25 123.30 1ile h VAL 567 Ca 0.07 -1.67 -0.12 0.00 0.82 0.00 0.00 66.70 65.80 1ile h VAL 567 Cb 0.00 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1ile h VAL 567 CO -0.01 0.50 -0.53 0.24 0.02 0.00 0.00 177.57 177.78 1ile h MET 568 N 0.04 0.08 0.00 1.57 2.07 -1.34 0.13 114.93 117.48 1ile h MET 568 Ca -0.01 -0.05 -0.19 0.00 -2.07 0.00 0.00 59.70 57.38 1ile h MET 568 Cb 0.98 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.68 1ile h MET 568 CO 0.08 0.59 -2.11 1.28 1.07 0.00 0.00 176.91 177.82 1ile n LEU 569 N -3.91 0.10 0.00 1.22 4.77 -0.68 -4.63 117.00 113.87 1ile n LEU 569 Ca -0.02 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1ile n LEU 569 Cb 0.55 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.88 1ile n LEU 569 CO 0.42 0.25 0.06 0.49 -1.33 0.00 0.00 177.39 177.27 1ile n PHE 570 N -2.56 0.00 -3.58 -1.77 3.72 -0.49 -5.02 117.46 107.76 1ile n PHE 570 Ca -0.18 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.02 1ile n PHE 570 Cb 0.87 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.47 1ile n PHE 570 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ile n GLY 571 N 0.01 -0.43 3.37 1.37 0.00 0.45 -4.92 105.19 105.05 1ile n GLY 571 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 1ile n GLY 571 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ile s SER 572 N -4.22 -0.40 0.53 1.61 0.15 -0.56 -4.87 113.70 105.93 1ile s SER 572 Ca 0.07 0.20 -0.22 0.00 0.70 0.00 0.00 55.95 56.70 1ile s SER 572 Cb -0.02 0.46 -0.06 0.00 -1.71 0.00 0.00 66.02 64.69 1ile s SER 572 CO 0.78 -0.65 1.24 -0.38 1.20 0.00 0.00 173.24 175.43 1ile n ILE 573 N 0.62 3.51 0.09 6.45 2.08 -1.26 -2.25 119.36 128.61 1ile n ILE 573 Ca -0.19 -0.50 0.11 0.00 0.56 0.00 0.00 62.75 62.73 1ile n ILE 573 Cb 0.59 -1.51 -0.16 0.00 -0.75 0.00 0.00 39.64 37.81 1ile n ILE 573 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ile n ALA 574 N -1.01 2.99 -3.67 -1.39 0.00 -1.26 -4.54 120.51 111.64 1ile n ALA 574 Ca 0.10 -0.52 -0.14 0.00 0.00 0.00 0.00 53.44 52.88 1ile n ALA 574 Cb 0.44 -0.75 -0.13 0.00 0.00 0.00 0.00 19.45 19.01 1ile n ALA 574 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ile s PHE 575 N -3.46 -0.41 0.20 0.00 -0.12 -1.26 -1.78 117.98 111.15 1ile s PHE 575 Ca -0.06 0.95 0.17 0.00 -0.05 0.00 0.00 56.93 57.93 1ile s PHE 575 Cb 0.14 -0.05 0.62 0.00 -0.63 0.00 0.00 43.02 43.11 1ile s PHE 575 CO 0.90 -0.35 1.72 0.87 -0.05 0.00 0.00 175.22 178.31 1ile h LYS 576 N 8.26 0.00 -3.42 1.99 1.57 -0.87 -3.43 116.57 120.66 1ile h LYS 576 Ca -0.15 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 1ile h LYS 576 Cb 1.11 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.17 1ile h LYS 576 CO 0.14 0.42 -0.55 -0.80 -0.57 0.00 0.00 179.45 178.09 1ile s ASN 577 N -6.54 -0.11 -0.02 0.86 0.01 -0.03 -1.67 114.94 107.44 1ile s ASN 577 Ca -0.00 0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 52.31 1ile s ASN 577 Cb 0.11 0.27 0.01 0.00 0.41 0.00 0.00 41.25 42.05 1ile s ASN 577 CO 0.70 -0.10 0.06 -0.69 -1.51 0.00 0.00 177.10 175.56 1ile s VAL 578 N -0.18 0.01 -0.11 1.60 1.01 -0.49 -1.48 120.40 120.76 1ile s VAL 578 Ca -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1ile s VAL 578 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 1ile s VAL 578 CO 0.00 -0.03 -0.18 -0.63 0.00 0.00 0.00 175.10 174.26 1ile s ILE 579 N -0.08 2.61 -0.25 2.22 1.01 -0.65 0.32 121.20 126.38 1ile s ILE 579 Ca -0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 1ile s ILE 579 Cb -0.01 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.43 1ile s ILE 579 CO 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 174.94 175.45 1ile s HIS 581 N 1.38 3.41 0.00 0.00 -3.43 -1.03 -3.67 115.29 111.96 1ile s HIS 581 Ca 0.02 0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.49 1ile s HIS 581 Cb -0.16 -1.73 0.00 0.00 -1.43 0.00 0.00 32.58 29.26 1ile s HIS 581 CO -0.03 0.58 0.00 0.41 -2.00 0.00 0.00 174.74 173.69 1ile n GLY 582 N 0.49 -1.90 3.66 -1.38 0.00 0.89 -3.01 105.19 103.95 1ile n GLY 582 Ca -0.07 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 1ile n GLY 582 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ile s LEU 583 N 0.00 3.28 -0.85 0.99 2.01 -1.24 -4.84 118.68 118.03 1ile s LEU 583 Ca 0.00 -0.46 -0.16 0.00 0.01 0.00 0.00 54.13 53.52 1ile s LEU 583 Cb 0.00 -1.90 0.19 0.00 0.01 0.00 0.00 46.19 44.49 1ile s LEU 583 CO 0.00 0.06 0.88 -0.63 1.01 0.00 0.00 176.35 177.67 1ile s ILE 584 N -1.89 5.30 1.20 -0.59 -1.09 -1.26 -0.97 121.20 121.91 1ile s ILE 584 Ca 0.28 -2.12 -0.17 0.00 -2.23 0.00 0.00 60.65 56.41 1ile s ILE 584 Cb -0.08 -4.57 0.29 0.00 -1.58 0.00 0.00 42.46 36.51 1ile s ILE 584 CO 0.19 -1.18 1.04 -0.76 -1.23 0.00 0.00 174.94 172.99 1ile s LEU 585 N 1.08 0.46 1.25 2.97 1.43 0.18 -4.08 118.68 121.96 1ile s LEU 585 Ca 0.22 1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.18 1ile s LEU 585 Cb -0.09 -2.84 0.30 0.00 0.03 0.00 0.00 46.19 43.59 1ile s LEU 585 CO -0.08 -4.25 1.04 -0.62 0.23 0.00 0.00 176.35 172.66 1ile s ASP 586 N -3.23 0.48 0.67 2.29 2.15 -0.34 -2.22 116.67 116.46 1ile s ASP 586 Ca 0.68 0.89 0.29 0.00 0.43 0.00 0.00 52.55 54.84 1ile s ASP 586 Cb -0.17 -1.30 1.58 0.00 -0.30 0.00 0.00 42.92 42.73 1ile s ASP 586 CO 0.59 -4.43 1.89 -0.08 -0.17 0.00 0.00 175.17 172.98 1ile h GLU 587 N -2.78 0.00 -1.00 4.34 4.22 -1.88 -2.98 114.58 114.50 1ile h GLU 587 Ca -0.48 0.00 0.01 0.00 0.08 0.00 0.00 59.36 58.97 1ile h GLU 587 Cb 1.32 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 1ile h GLU 587 CO 0.38 0.00 -0.40 0.15 -2.18 0.00 0.00 179.01 176.96 1ile s LYS 588 N -4.10 0.62 0.00 1.92 -0.14 -1.26 -4.69 119.74 112.09 1ile s LYS 588 Ca -0.03 0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.93 1ile s LYS 588 Cb 0.09 0.21 0.00 0.00 -1.68 0.00 0.00 37.83 36.45 1ile s LYS 588 CO 0.27 -1.08 0.00 0.41 -0.76 0.00 0.00 175.35 174.19 1ile n GLY 589 N 5.18 0.82 3.73 -3.33 0.00 -1.20 -4.95 105.19 105.43 1ile n GLY 589 Ca 0.06 -0.01 -0.66 0.00 0.00 0.00 0.00 46.02 45.41 1ile n GLY 589 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ile n GLN 590 N 0.00 0.19 -1.53 1.61 6.02 -1.26 -3.60 117.38 118.81 1ile n GLN 590 Ca 0.00 0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.79 1ile n GLN 590 Cb 0.00 -1.60 -0.11 0.00 1.02 0.00 0.00 30.24 29.55 1ile n GLN 590 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ile n LYS 591 N 4.04 0.45 -1.20 -1.09 4.76 -1.26 -1.20 118.16 122.67 1ile n LYS 591 Ca 0.30 -0.26 -0.51 0.00 -2.87 0.00 0.00 58.31 54.96 1ile n LYS 591 Cb -0.02 -2.58 -0.09 0.00 -1.84 0.00 0.00 35.03 30.50 1ile n LYS 591 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1ile n MET 592 N 8.05 0.00 -3.79 1.97 0.00 -1.26 -4.93 117.12 117.17 1ile n MET 592 Ca 0.53 0.00 -0.11 0.00 -0.00 0.00 0.00 57.70 58.12 1ile n MET 592 Cb 0.31 -1.20 -0.08 0.00 0.00 0.00 0.00 33.22 32.26 1ile n MET 592 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1ile s SER 593 N 3.64 -0.08 0.20 6.12 0.15 -1.26 -4.93 113.70 117.53 1ile s SER 593 Ca 0.90 -0.21 -0.10 0.00 0.70 0.00 0.00 55.95 57.25 1ile s SER 593 Cb -1.20 0.33 0.27 0.00 -1.71 0.00 0.00 66.02 63.70 1ile s SER 593 CO 0.59 -0.57 1.73 0.07 1.20 0.00 0.00 173.24 176.27 1ile h LYS 594 N 3.42 0.34 0.02 5.44 2.10 -1.94 -1.40 116.57 124.55 1ile h LYS 594 Ca -0.31 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 1ile h LYS 594 Cb 1.19 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1ile h LYS 594 CO 0.46 0.23 -0.05 0.66 -2.00 0.00 0.00 179.45 178.75 1ile h SER 595 N 0.35 -0.14 0.00 7.07 4.64 -1.98 -1.21 113.55 122.29 1ile h SER 595 Ca 0.30 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ile h SER 595 Cb 0.39 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1ile h SER 595 CO -0.32 -0.05 0.21 0.50 -0.87 0.00 0.00 176.83 176.30 1ile h LYS 596 N -0.07 0.00 0.00 4.77 3.11 -1.91 -3.44 116.57 119.03 1ile h LYS 596 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ile h LYS 596 Cb 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1ile h LYS 596 CO -0.02 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.03 1ile n GLY 597 N -1.23 0.70 0.12 5.01 0.00 -0.46 -4.86 105.19 104.47 1ile n GLY 597 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ile n GLY 597 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ile n ASN 598 N -0.02 0.17 -4.59 1.61 6.94 -1.19 -4.82 115.26 113.36 1ile n ASN 598 Ca 0.00 -1.37 -0.41 0.00 -0.02 0.00 0.00 54.58 52.78 1ile n ASN 598 Cb 0.01 -0.08 -0.03 0.00 -2.36 0.00 0.00 39.78 37.32 1ile n ASN 598 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1ile s VAL 599 N -1.76 3.21 -0.63 3.53 -7.23 -1.26 -4.70 120.40 111.57 1ile s VAL 599 Ca 0.00 0.20 -0.24 0.00 -1.81 0.00 0.00 61.98 60.13 1ile s VAL 599 Cb 0.00 -3.34 0.05 0.00 0.56 0.00 0.00 36.38 33.65 1ile s VAL 599 CO 0.00 -0.25 1.00 -0.69 -0.31 0.00 0.00 175.10 174.84 1ile s VAL 600 N 8.55 4.27 0.27 1.32 1.01 -1.26 -5.01 120.40 129.54 1ile s VAL 600 Ca 0.89 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 62.54 1ile s VAL 600 Cb -0.24 -4.66 -0.10 0.00 0.00 0.00 0.00 36.38 31.38 1ile s VAL 600 CO 0.31 -1.39 1.23 -0.62 0.00 0.00 0.00 175.10 174.64 1ile s ASP 601 N 3.39 6.98 0.54 3.32 -1.08 -1.26 -4.44 116.67 124.11 1ile s ASP 601 Ca 0.27 2.45 0.34 0.00 -0.52 0.00 0.00 52.55 55.09 1ile s ASP 601 Cb -0.14 -2.63 1.42 0.00 -1.46 0.00 0.00 42.92 40.10 1ile s ASP 601 CO 0.14 -0.40 1.99 1.55 0.52 0.00 0.00 175.17 178.97 1ile h PRO 602 N 4.14 0.00 -0.20 4.34 0.13 -1.92 -3.05 132.00 135.43 1ile h PRO 602 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1ile h PRO 602 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1ile h PRO 602 CO 0.69 0.00 -0.22 -1.49 -0.23 0.00 0.00 178.00 176.75 1ile h TRP 603 N 0.00 0.39 -0.39 1.56 4.06 -1.98 0.01 115.95 119.61 1ile h TRP 603 Ca 0.00 -0.07 0.05 0.00 2.06 0.00 0.00 58.89 60.93 1ile h TRP 603 Cb 0.46 -0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 28.47 1ile h TRP 603 CO 0.00 0.56 0.11 -0.44 -3.56 0.00 0.00 178.44 175.11 1ile h ASP 604 N 0.33 0.08 -0.03 -3.49 3.32 -1.93 -1.92 116.42 112.77 1ile h ASP 604 Ca 0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1ile h ASP 604 Cb 0.57 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.18 1ile h ASP 604 CO 0.04 0.08 -0.00 0.40 -1.72 0.00 0.00 179.24 178.03 1ile h ILE 605 N 0.25 1.28 0.00 0.35 1.08 -1.57 -2.92 117.51 115.98 1ile h ILE 605 Ca 0.18 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1ile h ILE 605 Cb 0.19 1.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1ile h ILE 605 CO -0.21 0.23 0.00 0.16 -0.69 0.00 0.00 178.15 177.63 1ile h ILE 606 N -0.28 0.00 -0.02 -0.67 3.07 -0.85 0.13 117.51 118.88 1ile h ILE 606 Ca 0.01 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.22 1ile h ILE 606 Cb 0.37 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 1ile h ILE 606 CO 0.00 0.00 -0.41 -2.11 -1.05 0.00 0.00 178.15 174.58 1ile n ARG 607 N -2.97 1.38 0.00 0.16 1.85 -0.74 -1.20 116.66 115.14 1ile n ARG 607 Ca -0.01 -1.09 0.02 0.00 -1.00 0.00 0.00 57.85 55.77 1ile n ARG 607 Cb 0.16 -1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.09 1ile n ARG 607 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ile n LYS 608 N 0.13 5.24 0.00 2.89 5.02 -0.93 -4.79 118.16 125.73 1ile n LYS 608 Ca 0.09 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ile n LYS 608 Cb 0.47 -0.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 1ile n LYS 608 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ile n PHE 609 N -1.06 0.00 0.00 2.13 3.01 0.39 -4.99 117.46 116.95 1ile n PHE 609 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1ile n PHE 609 Cb 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1ile n PHE 609 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ile n GLY 610 N 0.21 1.77 0.25 1.37 0.00 -0.34 -4.40 105.19 104.04 1ile n GLY 610 Ca 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 46.02 44.29 1ile n GLY 610 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ile h ALA 611 N 0.00 0.56 -1.03 4.61 0.00 -1.85 -0.95 119.26 120.60 1ile h ALA 611 Ca 0.00 0.23 0.28 0.00 0.00 0.00 0.00 54.91 55.41 1ile h ALA 611 Cb 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1ile h ALA 611 CO 0.00 -0.42 0.71 -0.44 0.00 0.00 0.00 179.25 179.10 1ile h ASP 612 N 0.06 0.23 -0.19 0.00 5.19 -1.91 -1.68 116.42 118.11 1ile h ASP 612 Ca 0.33 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.67 1ile h ASP 612 Cb 0.54 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1ile h ASP 612 CO -0.61 0.05 -0.34 0.00 -3.12 0.00 0.00 179.24 175.23 1ile h ALA 613 N 1.55 0.30 0.26 3.45 0.00 -1.40 0.45 119.26 123.88 1ile h ALA 613 Ca 0.54 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ile h ALA 613 Cb 1.71 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 1ile h ALA 613 CO -0.15 0.35 -0.38 1.25 0.00 0.00 0.00 179.25 180.33 1ile h LEU 614 N 0.24 -1.06 -0.26 0.00 6.46 -1.31 0.15 115.31 119.53 1ile h LEU 614 Ca 0.01 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1ile h LEU 614 Cb 0.93 0.38 -0.06 0.00 -0.73 0.00 0.00 40.66 41.18 1ile h LEU 614 CO 0.08 -0.49 -0.38 0.03 -0.62 0.00 0.00 178.44 177.05 1ile h ARG 615 N -0.70 -0.28 -0.69 1.25 3.08 -1.49 -0.42 114.38 115.13 1ile h ARG 615 Ca -0.00 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.15 1ile h ARG 615 Cb 0.67 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.72 1ile h ARG 615 CO -0.13 -0.18 0.34 2.35 -1.07 0.00 0.00 179.97 181.28 1ile h TRP 616 N -0.29 0.62 -0.25 3.04 2.91 -0.62 -1.53 115.95 119.83 1ile h TRP 616 Ca 0.05 0.03 0.06 0.00 1.13 0.00 0.00 58.89 60.15 1ile h TRP 616 Cb 0.42 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.84 1ile h TRP 616 CO -0.67 0.24 -0.10 -0.92 -1.03 0.00 0.00 178.44 175.95 1ile h TYR 617 N 0.60 -0.24 0.02 2.65 3.20 0.88 -1.55 116.97 122.53 1ile h TYR 617 Ca 0.33 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.26 1ile h TYR 617 Cb 0.32 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1ile h TYR 617 CO -0.11 -0.16 -0.32 0.82 -1.64 0.00 0.00 178.16 176.75 1ile h ILE 618 N -0.06 0.31 -0.92 1.81 1.08 -0.58 0.12 117.51 119.28 1ile h ILE 618 Ca 0.13 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.78 1ile h ILE 618 Cb 0.26 0.31 -0.11 0.00 -3.07 0.00 0.00 36.82 34.21 1ile h ILE 618 CO -0.30 0.00 0.49 1.88 -0.69 0.00 0.00 178.15 179.53 1ile h TYR 619 N -0.48 0.85 0.00 1.37 0.05 -0.36 -3.12 116.97 115.27 1ile h TYR 619 Ca 0.06 0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.73 1ile h TYR 619 Cb 0.56 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.04 1ile h TYR 619 CO -0.33 0.14 -2.14 1.55 -1.05 0.00 0.00 178.16 176.33 1ile n VAL 620 N -4.88 0.52 -0.05 -2.88 3.14 -0.71 -3.83 118.33 109.64 1ile n VAL 620 Ca 0.21 -0.63 -0.12 0.00 -2.96 0.00 0.00 64.34 60.84 1ile n VAL 620 Cb 0.54 -0.17 -0.06 0.00 -1.06 0.00 0.00 33.84 33.09 1ile n VAL 620 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1ile h SER 621 N 0.00 -1.42 -5.32 6.55 4.64 -0.69 -3.46 113.55 113.85 1ile h SER 621 Ca -0.20 0.19 0.17 0.00 -0.47 0.00 0.00 61.79 61.48 1ile h SER 621 Cb 1.46 0.59 -0.07 0.00 -0.31 0.00 0.00 62.40 64.07 1ile h SER 621 CO 0.01 -0.41 0.48 0.00 -0.87 0.00 0.00 176.83 176.04 1ile s ALA 622 N -5.85 -1.60 0.91 5.18 0.00 -1.26 -5.13 121.76 114.01 1ile s ALA 622 Ca -0.15 0.03 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 1ile s ALA 622 Cb 0.10 0.66 0.07 0.00 0.00 0.00 0.00 23.12 23.95 1ile s ALA 622 CO 0.64 -1.05 0.71 -2.30 0.00 0.00 0.00 175.76 173.76 1ile n PRO 623 N -0.50 -0.23 0.18 0.00 -0.02 -1.26 -4.84 135.00 128.33 1ile n PRO 623 Ca -0.06 -0.01 0.13 0.00 -2.02 0.00 0.00 63.50 61.54 1ile n PRO 623 Cb 0.60 -2.06 0.71 0.00 -0.02 0.00 0.00 33.50 32.73 1ile n PRO 623 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1ile h PRO 624 N -1.47 0.00 0.61 0.52 0.11 -1.92 -3.16 132.00 126.69 1ile h PRO 624 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1ile h PRO 624 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 1ile h PRO 624 CO 0.38 0.00 -0.29 0.93 -0.21 0.00 0.00 178.00 178.81 1ile h GLU 625 N 0.00 -0.79 -6.35 1.05 3.07 -1.90 0.10 114.58 109.76 1ile h GLU 625 Ca 0.09 0.05 -0.52 0.00 -0.50 0.00 0.00 59.36 58.48 1ile h GLU 625 Cb 0.37 0.18 0.24 0.00 -0.84 0.00 0.00 28.75 28.69 1ile h GLU 625 CO -0.00 -0.48 -1.51 0.00 -1.40 0.00 0.00 179.01 175.62 1ile n ALA 626 N -2.63 -4.48 -2.79 3.43 0.00 -1.19 -0.07 120.51 112.78 1ile n ALA 626 Ca -0.11 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.07 1ile n ALA 626 Cb 0.35 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 1ile n ALA 626 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ile s ASP 627 N -1.45 6.10 0.14 0.00 1.01 -1.26 -2.96 116.67 118.26 1ile s ASP 627 Ca 0.47 0.27 0.08 0.00 0.71 0.00 0.00 52.55 54.07 1ile s ASP 627 Cb -0.12 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 1ile s ASP 627 CO 0.72 0.26 -0.17 0.00 0.21 0.00 0.00 175.17 176.19 1ile s ARG 628 N -0.11 1.16 0.35 8.23 3.03 -0.14 -4.89 118.95 126.58 1ile s ARG 628 Ca 0.09 -1.30 -0.26 0.00 2.03 0.00 0.00 55.73 56.30 1ile s ARG 628 Cb -0.12 -1.20 -0.09 0.00 -1.03 0.00 0.00 34.95 32.51 1ile s ARG 628 CO 0.00 0.25 1.00 1.03 -1.13 0.00 0.00 175.30 176.45 1ile s ARG 629 N -2.58 4.42 -0.26 3.89 3.00 -1.26 0.48 118.95 126.64 1ile s ARG 629 Ca 0.12 1.45 -0.03 0.00 0.00 0.00 0.00 55.73 57.27 1ile s ARG 629 Cb -0.06 -2.73 0.11 0.00 0.00 0.00 0.00 34.95 32.27 1ile s ARG 629 CO 0.05 0.10 0.23 0.12 0.00 0.00 0.00 175.30 175.79 1ile s PHE 630 N -1.60 -0.20 0.01 -0.53 5.36 -0.94 -4.83 117.98 115.26 1ile s PHE 630 Ca 0.53 -0.23 -0.07 0.00 -0.96 0.00 0.00 56.93 56.21 1ile s PHE 630 Cb -0.21 -0.54 -0.00 0.00 -0.34 0.00 0.00 43.02 41.92 1ile s PHE 630 CO 0.27 -0.79 0.12 0.20 -1.46 0.00 0.00 175.22 173.56 1ile s GLY 631 N 2.28 0.08 0.36 13.12 0.00 -1.26 -4.16 107.32 117.74 1ile s GLY 631 Ca 0.08 -0.27 0.20 0.00 0.00 0.00 0.00 44.72 44.73 1ile s GLY 631 CO -0.27 -0.40 1.60 -0.56 0.00 0.00 0.00 173.10 173.47 1ile h PRO 632 N 4.10 0.06 -0.33 2.90 0.13 -1.99 0.19 132.00 137.07 1ile h PRO 632 Ca -0.31 -0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1ile h PRO 632 Cb 1.19 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1ile h PRO 632 CO 0.43 0.04 -0.11 -0.91 -0.23 0.00 0.00 178.00 177.23 1ile h ASN 633 N 0.06 0.67 -0.39 1.44 4.21 -1.98 -1.69 115.58 117.90 1ile h ASN 633 Ca 0.83 -0.38 -0.03 0.00 1.21 0.00 0.00 56.30 57.92 1ile h ASN 633 Cb 2.13 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 39.13 1ile h ASN 633 CO -0.74 0.89 0.11 -0.07 -1.29 0.00 0.00 177.43 176.33 1ile h LEU 634 N 0.43 0.58 -0.18 1.61 4.07 -1.36 -1.79 115.31 118.68 1ile h LEU 634 Ca 0.08 -0.22 0.05 0.00 0.08 0.00 0.00 57.88 57.87 1ile h LEU 634 Cb 0.62 -0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.15 1ile h LEU 634 CO 0.04 0.65 -0.19 0.58 -1.08 0.00 0.00 178.44 178.44 1ile h VAL 635 N 0.49 0.51 -0.66 1.22 2.07 -1.38 -1.58 116.25 116.92 1ile h VAL 635 Ca 0.12 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.78 1ile h VAL 635 Cb 0.28 0.51 -0.11 0.00 -1.52 0.00 0.00 31.29 30.45 1ile h VAL 635 CO -0.00 0.00 0.03 -0.09 0.02 0.00 0.00 177.57 177.52 1ile h ARG 636 N -0.21 0.13 -0.56 1.57 2.43 -0.99 -1.25 114.38 115.49 1ile h ARG 636 Ca 0.12 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.37 1ile h ARG 636 Cb 0.38 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1ile h ARG 636 CO -0.31 0.09 0.38 1.49 -1.51 0.00 0.00 179.97 180.11 1ile h GLU 637 N 0.14 0.37 -0.02 0.20 4.57 -0.40 -0.89 114.58 118.55 1ile h GLU 637 Ca 0.35 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 58.31 1ile h GLU 637 Cb 0.58 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1ile h GLU 637 CO -0.55 0.24 -0.86 1.79 -1.18 0.00 0.00 179.01 178.46 1ile h THR 638 N 0.38 1.43 0.58 0.32 1.35 -1.13 -2.26 112.91 113.58 1ile h THR 638 Ca 0.26 -2.42 -0.02 0.00 -0.55 0.00 0.00 66.41 63.68 1ile h THR 638 Cb 0.52 2.35 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 1ile h THR 638 CO -0.07 0.72 -0.41 0.58 -0.25 0.00 0.00 175.52 176.09 1ile h VAL 639 N 0.19 0.18 -0.94 6.82 2.07 -0.96 0.40 116.25 124.01 1ile h VAL 639 Ca -0.05 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.66 1ile h VAL 639 Cb 1.47 0.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 1ile h VAL 639 CO 0.14 0.00 0.60 0.03 0.02 0.00 0.00 177.57 178.36 1ile h ARG 640 N -0.95 0.55 0.24 1.57 2.47 -1.42 0.58 114.38 117.42 1ile h ARG 640 Ca -0.07 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 1ile h ARG 640 Cb 0.79 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1ile h ARG 640 CO 0.04 0.37 -0.11 0.22 0.56 0.00 0.00 179.97 181.04 1ile h ASP 641 N 0.57 -0.27 0.00 7.04 3.58 -0.66 -3.36 116.42 123.31 1ile h ASP 641 Ca 0.50 0.01 -0.31 0.00 0.42 0.00 0.00 57.03 57.65 1ile h ASP 641 Cb 1.02 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 42.09 1ile h ASP 641 CO -0.24 -0.07 -1.70 0.00 -2.88 0.00 0.00 179.24 174.35 1ile n TYR 642 N -3.52 0.68 -0.16 0.28 9.36 0.13 -4.05 117.16 119.88 1ile n TYR 642 Ca -0.04 0.29 -0.04 0.00 3.32 0.00 0.00 57.90 61.44 1ile n TYR 642 Cb 0.12 -1.07 0.06 0.00 -0.63 0.00 0.00 39.34 37.82 1ile n TYR 642 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1ile h PHE 643 N -0.99 0.35 0.40 2.98 -1.00 -1.01 -2.64 116.94 115.04 1ile h PHE 643 Ca -0.47 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.31 1ile h PHE 643 Cb 1.41 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.89 1ile h PHE 643 CO 0.04 0.13 -0.19 -0.07 -1.61 0.00 0.00 178.31 176.61 1ile h LEU 644 N 0.39 -0.46 -0.83 1.54 3.38 -1.33 -2.54 115.31 115.45 1ile h LEU 644 Ca 0.23 0.02 0.23 0.00 0.09 0.00 0.00 57.88 58.45 1ile h LEU 644 Cb 0.21 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 40.93 1ile h LEU 644 CO -0.21 -0.19 0.03 0.41 0.09 0.00 0.00 178.44 178.57 1ile n THR 645 N -4.24 -0.35 0.08 0.22 -1.04 -1.23 -0.17 114.28 107.56 1ile n THR 645 Ca -0.07 1.83 -0.13 0.00 -2.04 0.00 0.00 64.05 63.64 1ile n THR 645 Cb 0.21 -2.68 -0.08 0.00 -1.82 0.00 0.00 70.33 65.96 1ile n THR 645 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ile h LEU 646 N 0.00 -0.19 -0.78 -4.42 5.85 -1.53 -2.40 115.31 111.85 1ile h LEU 646 Ca 0.51 -0.27 0.18 0.00 0.84 0.00 0.00 57.88 59.14 1ile h LEU 646 Cb 1.07 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.03 1ile h LEU 646 CO -0.78 0.19 0.10 -0.25 -0.34 0.00 0.00 178.44 177.36 1ile h TRP 647 N -0.60 0.11 0.25 1.25 2.91 -0.11 0.29 115.95 120.05 1ile h TRP 647 Ca -0.02 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1ile h TRP 647 Cb 0.45 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.17 1ile h TRP 647 CO 0.04 -0.20 -0.19 -0.97 -1.03 0.00 0.00 178.44 176.09 1ile h ASN 648 N 0.16 -0.51 0.00 2.65 -1.24 -0.96 0.26 115.58 115.94 1ile h ASN 648 Ca 0.44 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.49 1ile h ASN 648 Cb 0.80 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.01 1ile h ASN 648 CO -0.62 -0.28 0.23 1.62 -1.29 0.00 0.00 177.43 177.08 1ile h VAL 649 N -0.43 0.00 0.09 2.57 3.04 -0.90 0.80 116.25 121.43 1ile h VAL 649 Ca -0.03 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.46 1ile h VAL 649 Cb 0.36 0.69 0.02 0.00 -2.01 0.00 0.00 31.29 30.34 1ile h VAL 649 CO 0.01 0.00 -0.82 0.22 -1.01 0.00 0.00 177.57 175.97 1ile h TYR 650 N 0.00 0.65 -0.04 3.17 3.20 -0.11 -3.13 116.97 120.70 1ile h TYR 650 Ca 0.00 -0.42 -0.00 0.00 3.14 0.00 0.00 58.73 61.45 1ile h TYR 650 Cb 0.45 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1ile h TYR 650 CO 0.00 1.28 0.01 1.03 -1.64 0.00 0.00 178.16 178.85 1ile h SER 651 N -0.17 0.06 0.00 -2.11 0.87 0.40 -2.41 113.55 110.19 1ile h SER 651 Ca -0.13 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1ile h SER 651 Cb 1.58 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 1ile h SER 651 CO 0.16 0.24 0.00 0.33 -0.53 0.00 0.00 176.83 177.03 1ile n PHE 652 N -4.95 0.00 -0.32 2.24 -0.00 0.19 -0.34 117.46 114.29 1ile n PHE 652 Ca -0.07 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.50 1ile n PHE 652 Cb 0.13 -0.41 0.25 0.00 -0.00 0.00 0.00 39.48 39.45 1ile n PHE 652 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.76 177.11 1ile h PHE 653 N 0.00 -0.02 0.70 -5.13 3.04 -1.58 -1.33 116.94 112.61 1ile h PHE 653 Ca 0.00 0.07 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 1ile h PHE 653 Cb 0.00 0.16 0.01 0.00 2.56 0.00 0.00 35.95 38.68 1ile h PHE 653 CO -0.41 -0.37 -0.34 0.28 -2.02 0.00 0.00 178.31 175.45 1ile h VAL 654 N 0.05 0.16 -1.18 1.41 2.07 -0.87 -0.69 116.25 117.20 1ile h VAL 654 Ca 0.55 -0.24 0.34 0.00 0.82 0.00 0.00 66.70 68.17 1ile h VAL 654 Cb 1.09 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1ile h VAL 654 CO -0.84 0.02 0.85 0.74 0.02 0.00 0.00 177.57 178.35 1ile h THR 655 N -1.15 0.41 0.03 2.57 2.02 0.47 0.11 112.91 117.36 1ile h THR 655 Ca -0.10 -0.00 -0.37 0.00 0.77 0.00 0.00 66.41 66.72 1ile h THR 655 Cb 0.75 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.50 1ile h THR 655 CO 0.16 0.00 -2.24 -1.22 0.37 0.00 0.00 175.52 172.59 1ile n TYR 656 N -4.19 0.43 -0.03 3.16 4.02 -0.98 -4.09 117.16 115.48 1ile n TYR 656 Ca 0.25 0.11 0.03 0.00 -0.01 0.00 0.00 57.90 58.29 1ile n TYR 656 Cb 1.23 -1.06 0.39 0.00 -0.02 0.00 0.00 39.34 39.88 1ile n TYR 656 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1ile h ALA 657 N 0.42 1.64 0.00 -0.72 0.00 0.09 0.79 119.26 121.48 1ile h ALA 657 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1ile h ALA 657 Cb 2.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1ile h ALA 657 CO 0.00 0.32 0.00 -1.71 0.00 0.00 0.00 179.25 177.86 1ile n ASN 658 N -4.45 0.41 0.00 0.00 5.15 0.25 -1.73 115.26 114.91 1ile n ASN 658 Ca 0.04 -1.38 0.00 0.00 -0.60 0.00 0.00 54.58 52.63 1ile n ASN 658 Cb 0.07 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.12 1ile n ASN 658 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ile n LEU 659 N -0.11 0.01 0.00 1.20 4.77 0.12 -4.82 117.00 118.17 1ile n LEU 659 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1ile n LEU 659 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ile n LEU 659 CO 0.00 -0.50 0.38 0.47 -1.33 0.00 0.00 177.39 176.41 1ile n ASP 660 N -2.52 0.00 -2.60 -1.43 9.92 -0.33 -4.89 116.55 114.71 1ile n ASP 660 Ca 0.00 0.26 -0.21 0.00 -0.53 0.00 0.00 54.79 54.31 1ile n ASP 660 Cb 0.00 -0.26 0.02 0.00 -0.64 0.00 0.00 41.12 40.24 1ile n ASP 660 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ile n ARG 661 N -1.25 -1.06 -2.59 -1.24 5.12 -0.70 -4.92 116.66 110.01 1ile n ARG 661 Ca 0.00 0.74 -0.31 0.00 -1.93 0.00 0.00 57.85 56.35 1ile n ARG 661 Cb 0.01 -1.17 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 1ile n ARG 661 CO 0.00 0.00 0.00 -2.14 -1.93 0.00 0.00 177.63 173.56 1ile s PRO 662 N -1.86 3.86 -1.07 5.56 0.02 -1.26 -4.99 135.00 135.26 1ile s PRO 662 Ca 0.18 0.72 -0.14 0.00 0.02 0.00 0.00 61.00 61.78 1ile s PRO 662 Cb -0.02 -2.25 0.20 0.00 0.02 0.00 0.00 34.50 32.45 1ile s PRO 662 CO 0.51 -0.17 1.19 0.34 -0.33 0.00 0.00 177.00 178.53 1ile s ASP 663 N -3.16 7.00 0.58 2.53 2.15 -1.26 -4.78 116.67 119.73 1ile s ASP 663 Ca 0.55 -2.91 0.35 0.00 0.43 0.00 0.00 52.55 50.97 1ile s ASP 663 Cb -0.10 -2.32 1.68 0.00 -0.30 0.00 0.00 42.92 41.87 1ile s ASP 663 CO 0.32 -0.67 2.11 -0.07 -0.17 0.00 0.00 175.17 176.70 1ile h LEU 664 N 8.77 0.00 -0.53 -1.34 3.38 -1.99 -2.48 115.31 121.13 1ile h LEU 664 Ca 0.22 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1ile h LEU 664 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1ile h LEU 664 CO 1.08 0.04 -0.63 0.11 0.09 0.00 0.00 178.44 179.13 1ile h LYS 665 N 0.00 0.39 -2.52 1.13 1.57 -1.95 -3.36 116.57 111.83 1ile h LYS 665 Ca -0.00 -0.28 -0.60 0.00 -1.87 0.00 0.00 60.65 57.90 1ile h LYS 665 Cb 0.34 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.29 1ile h LYS 665 CO 0.00 0.89 -0.77 0.09 -0.57 0.00 0.00 179.45 179.10 1ile n ASN 666 N -3.89 1.81 -4.87 0.86 3.02 -0.94 -5.11 115.26 106.15 1ile n ASN 666 Ca -0.03 -2.96 -0.31 0.00 -0.03 0.00 0.00 54.58 51.25 1ile n ASN 666 Cb 0.64 -0.67 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1ile n ASN 666 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1ile s PRO 667 N -1.25 3.34 0.40 3.52 0.02 -1.20 -4.84 135.00 134.99 1ile s PRO 667 Ca 0.32 0.69 -0.25 0.00 0.02 0.00 0.00 61.00 61.79 1ile s PRO 667 Cb 0.06 -2.06 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1ile s PRO 667 CO -0.13 -0.74 1.11 -1.25 -0.33 0.00 0.00 177.00 175.66 1ile s PRO 668 N -5.21 4.09 0.46 5.54 0.04 -1.26 -4.98 135.00 133.67 1ile s PRO 668 Ca 0.56 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 63.05 1ile s PRO 668 Cb -0.11 -2.61 -0.08 0.00 0.04 0.00 0.00 34.50 31.73 1ile s PRO 668 CO 0.54 -0.25 1.40 -2.30 0.04 0.00 0.00 177.00 176.42 1ile n PRO 669 N 0.00 2.13 -0.35 0.56 -0.02 -1.26 -4.88 135.00 131.18 1ile n PRO 669 Ca 0.05 0.76 0.05 0.00 -2.02 0.00 0.00 63.50 62.34 1ile n PRO 669 Cb 0.48 -2.58 0.22 0.00 -0.02 0.00 0.00 33.50 31.60 1ile n PRO 669 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ile h PRO 670 N 2.14 1.02 -0.55 0.52 0.13 -1.96 -2.49 132.00 130.81 1ile h PRO 670 Ca -0.50 -0.06 0.11 0.00 -0.87 0.00 0.00 66.00 64.68 1ile h PRO 670 Cb 1.28 -0.23 -0.10 0.00 0.13 0.00 0.00 31.00 32.08 1ile h PRO 670 CO 0.60 0.68 -0.04 1.05 -0.23 0.00 0.00 178.00 180.06 1ile h GLU 671 N 1.05 0.08 -0.00 0.86 4.11 -1.99 0.19 114.58 118.88 1ile h GLU 671 Ca 0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1ile h GLU 671 Cb 0.34 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ile h GLU 671 CO -0.21 0.05 -0.02 1.63 0.07 0.00 0.00 179.01 180.53 1ile n LYS 672 N -5.29 0.52 -1.27 1.06 5.02 -1.00 -4.89 118.16 112.31 1ile n LYS 672 Ca 0.07 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.97 1ile n LYS 672 Cb 0.30 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 33.92 1ile n LYS 672 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ile s ARG 673 N -2.51 1.89 0.00 1.97 1.81 0.67 -5.01 118.95 117.77 1ile s ARG 673 Ca 0.30 1.73 0.00 0.00 -1.72 0.00 0.00 55.73 56.04 1ile s ARG 673 Cb 0.20 -1.81 0.00 0.00 -0.45 0.00 0.00 34.95 32.90 1ile s ARG 673 CO 0.46 -2.02 0.00 -2.30 -0.68 0.00 0.00 175.30 170.76 1ile n PRO 674 N -3.04 1.59 0.00 3.54 -0.02 -1.26 -4.76 135.00 131.04 1ile n PRO 674 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1ile n PRO 674 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1ile n PRO 674 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ile n GLU 675 N -0.12 0.00 0.29 -0.52 4.71 -1.26 -3.72 120.64 120.02 1ile n GLU 675 Ca 0.00 0.08 0.14 0.00 -0.01 0.00 0.00 57.16 57.37 1ile n GLU 675 Cb 0.00 -0.58 0.88 0.00 -1.01 0.00 0.00 31.44 30.73 1ile n GLU 675 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1ile h MET 676 N 0.00 0.00 -0.77 3.49 4.05 -2.01 -2.18 114.93 117.51 1ile h MET 676 Ca 0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1ile h MET 676 Cb 0.00 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1ile h MET 676 CO 0.00 0.00 0.32 -0.44 0.23 0.00 0.00 176.91 177.02 1ile h ASP 677 N 0.00 1.04 1.76 1.39 5.19 -1.94 -2.61 116.42 121.26 1ile h ASP 677 Ca -0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1ile h ASP 677 Cb 0.01 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.25 1ile h ASP 677 CO 0.00 0.92 0.00 -0.09 -3.12 0.00 0.00 179.24 176.95 1ile h ARG 678 N 1.11 0.00 0.26 3.56 2.43 -1.47 -3.16 114.38 117.11 1ile h ARG 678 Ca 0.26 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1ile h ARG 678 Cb 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1ile h ARG 678 CO -0.02 0.00 -0.13 2.35 -1.51 0.00 0.00 179.97 180.66 1ile h TRP 679 N 0.00 -0.33 -1.00 2.20 7.01 -1.45 -3.16 115.95 119.22 1ile h TRP 679 Ca 0.00 -0.01 0.26 0.00 2.11 0.00 0.00 58.89 61.25 1ile h TRP 679 Cb 0.88 0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 27.98 1ile h TRP 679 CO 0.00 0.04 0.67 1.25 -2.79 0.00 0.00 178.44 177.61 1ile h LEU 680 N -0.86 0.30 -0.74 0.65 6.46 -1.52 0.19 115.31 119.79 1ile h LEU 680 Ca -0.04 0.05 -0.13 0.00 -0.12 0.00 0.00 57.88 57.64 1ile h LEU 680 Cb 0.51 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 1ile h LEU 680 CO 0.06 0.08 -0.53 -0.07 -0.62 0.00 0.00 178.44 177.37 1ile h LEU 681 N 0.28 0.31 -0.77 2.25 3.38 -1.57 -1.66 115.31 117.53 1ile h LEU 681 Ca 0.53 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.21 1ile h LEU 681 Cb 1.54 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1ile h LEU 681 CO -0.18 0.78 -0.44 0.00 0.09 0.00 0.00 178.44 178.69 1ile h ALA 682 N 1.23 0.94 -0.65 1.53 0.00 -0.63 -2.34 119.26 119.34 1ile h ALA 682 Ca 0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1ile h ALA 682 Cb 1.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ile h ALA 682 CO 0.08 0.64 0.07 -0.09 0.00 0.00 0.00 179.25 179.95 1ile h ARG 683 N 0.32 1.09 -0.37 0.00 9.65 -0.99 -2.28 114.38 121.80 1ile h ARG 683 Ca 0.02 -0.31 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 1ile h ARG 683 Cb 0.90 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.35 1ile h ARG 683 CO 0.08 1.02 0.08 0.52 2.80 0.00 0.00 179.97 184.46 1ile h MET 684 N 1.01 0.55 0.00 0.20 2.86 -0.88 0.73 114.93 119.40 1ile h MET 684 Ca 0.19 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1ile h MET 684 Cb 0.48 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1ile h MET 684 CO 0.02 0.52 -0.32 1.96 1.06 0.00 0.00 176.91 180.15 1ile h GLN 685 N 0.54 0.00 0.01 1.72 1.08 -0.94 -2.67 115.11 114.84 1ile h GLN 685 Ca 0.13 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1ile h GLN 685 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1ile h GLN 685 CO -0.00 0.32 -0.00 0.22 -0.95 0.00 0.00 178.83 178.42 1ile h ASP 686 N 0.00 -0.01 -0.98 1.46 3.58 -0.64 -3.10 116.42 116.72 1ile h ASP 686 Ca -0.00 -0.82 0.25 0.00 0.42 0.00 0.00 57.03 56.88 1ile h ASP 686 Cb 0.85 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.83 1ile h ASP 686 CO 0.04 0.87 0.66 0.25 -2.88 0.00 0.00 179.24 178.18 1ile h LEU 687 N -0.94 0.32 -0.18 2.28 5.85 -0.88 0.67 115.31 122.42 1ile h LEU 687 Ca -0.00 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1ile h LEU 687 Cb 0.83 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1ile h LEU 687 CO 0.00 0.09 -0.10 0.40 -0.34 0.00 0.00 178.44 178.49 1ile h ILE 688 N 0.30 1.32 0.25 4.05 2.04 -1.56 -1.00 117.51 122.91 1ile h ILE 688 Ca 0.52 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1ile h ILE 688 Cb 1.49 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1ile h ILE 688 CO -0.18 0.35 -0.14 1.56 0.00 0.00 0.00 178.15 179.74 1ile h GLN 689 N 0.07 -0.36 0.13 2.37 4.20 0.29 0.32 115.11 122.14 1ile h GLN 689 Ca 0.04 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1ile h GLN 689 Cb 0.60 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 1ile h GLN 689 CO 0.03 -0.24 -0.33 0.00 -0.67 0.00 0.00 178.83 177.62 1ile h ARG 690 N -0.37 -0.50 -0.69 1.46 -0.00 -0.81 0.44 114.38 113.91 1ile h ARG 690 Ca -0.03 0.03 0.16 0.00 -0.50 0.00 0.00 59.98 59.64 1ile h ARG 690 Cb 0.30 0.11 -0.04 0.00 0.00 0.00 0.00 29.97 30.35 1ile h ARG 690 CO 0.04 -0.33 0.47 0.28 0.00 0.00 0.00 179.97 180.42 1ile h VAL 691 N -0.52 0.75 -0.12 2.04 2.07 -1.14 -1.63 116.25 117.70 1ile h VAL 691 Ca -0.01 -0.08 -0.22 0.00 0.82 0.00 0.00 66.70 67.20 1ile h VAL 691 Cb 0.50 0.50 0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1ile h VAL 691 CO -0.15 0.04 -0.81 0.74 0.02 0.00 0.00 177.57 177.41 1ile h THR 692 N 0.24 1.29 0.13 2.57 2.02 -0.14 -3.10 112.91 115.92 1ile h THR 692 Ca 0.33 -2.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.47 1ile h THR 692 Cb 0.97 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1ile h THR 692 CO -0.07 0.64 -0.06 -0.33 0.37 0.00 0.00 175.52 176.07 1ile h GLU 693 N 0.49 -0.16 -0.56 6.66 5.08 0.00 -2.35 114.58 123.74 1ile h GLU 693 Ca -0.06 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1ile h GLU 693 Cb 1.43 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.65 1ile h GLU 693 CO 0.16 -0.00 0.17 0.00 -1.00 0.00 0.00 179.01 178.34 1ile h ALA 694 N 0.57 0.68 0.00 3.43 0.00 -1.51 -0.49 119.26 121.94 1ile h ALA 694 Ca -0.02 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ile h ALA 694 Cb 0.23 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ile h ALA 694 CO 0.03 -0.24 -0.01 -0.07 0.00 0.00 0.00 179.25 178.95 1ile h LEU 695 N 0.33 0.00 -0.32 0.00 3.38 -1.49 0.69 115.31 117.90 1ile h LEU 695 Ca 0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 1ile h LEU 695 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ile h LEU 695 CO -0.31 0.01 -0.84 -0.08 0.09 0.00 0.00 178.44 177.31 1ile h GLU 696 N 0.00 0.25 -0.76 1.13 4.57 -0.57 -2.66 114.58 116.54 1ile h GLU 696 Ca -0.00 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 1ile h GLU 696 Cb 0.58 0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 1ile h GLU 696 CO 0.00 0.95 0.09 0.00 -1.18 0.00 0.00 179.01 178.88 1ile n ALA 697 N -2.48 3.74 -4.21 2.92 0.00 -0.53 -4.90 120.51 115.05 1ile n ALA 697 Ca -0.04 -1.51 -0.35 0.00 0.00 0.00 0.00 53.44 51.54 1ile n ALA 697 Cb 0.78 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 1ile n ALA 697 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ile n TYR 698 N 0.23 -1.70 -3.61 0.00 4.02 -0.96 -4.92 117.16 110.22 1ile n TYR 698 Ca 0.24 0.78 -0.39 0.00 -0.01 0.00 0.00 57.90 58.52 1ile n TYR 698 Cb 1.01 -2.99 -0.08 0.00 -0.02 0.00 0.00 39.34 37.26 1ile n TYR 698 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ile s ASP 699 N -3.44 5.63 0.43 7.72 -1.08 0.23 -4.92 116.67 121.24 1ile s ASP 699 Ca 0.64 -2.56 0.28 0.00 -0.52 0.00 0.00 52.55 50.39 1ile s ASP 699 Cb -0.35 -1.95 0.88 0.00 -1.46 0.00 0.00 42.92 40.04 1ile s ASP 699 CO 0.93 -0.49 1.79 1.55 0.52 0.00 0.00 175.17 179.47 1ile h PRO 700 N 7.56 0.00 0.01 4.34 0.13 -1.91 -3.22 132.00 138.91 1ile h PRO 700 Ca -0.04 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.90 1ile h PRO 700 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1ile h PRO 700 CO 0.75 0.00 -1.04 1.79 -0.23 0.00 0.00 178.00 179.27 1ile h THR 701 N 0.00 1.10 0.00 1.56 1.35 -1.91 -2.91 112.91 112.10 1ile h THR 701 Ca 0.00 -2.24 -0.01 0.00 -0.55 0.00 0.00 66.41 63.61 1ile h THR 701 Cb 0.69 2.51 -0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1ile h THR 701 CO 0.00 0.42 -0.05 0.71 -0.25 0.00 0.00 175.52 176.36 1ile h THR 702 N -0.91 0.14 0.41 6.82 1.35 -1.86 -1.22 112.91 117.65 1ile h THR 702 Ca -0.28 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.03 1ile h THR 702 Cb 1.30 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1ile h THR 702 CO -0.14 0.04 -0.20 0.77 -0.25 0.00 0.00 175.52 175.75 1ile h SER 703 N 0.00 -0.47 -0.92 5.36 4.64 -1.68 -0.63 113.55 119.84 1ile h SER 703 Ca -0.00 0.02 0.14 0.00 -0.47 0.00 0.00 61.79 61.47 1ile h SER 703 Cb 0.46 0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 1ile h SER 703 CO 0.01 -0.19 0.54 0.00 -0.87 0.00 0.00 176.83 176.31 1ile h ALA 704 N -1.46 1.41 -0.13 5.18 0.00 -1.47 -2.40 119.26 120.38 1ile h ALA 704 Ca -0.06 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ile h ALA 704 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ile h ALA 704 CO 0.09 0.04 0.08 0.00 0.00 0.00 0.00 179.25 179.47 1ile h ARG 705 N 0.79 0.18 -0.12 0.00 3.08 -1.22 -2.05 114.38 115.03 1ile h ARG 705 Ca 0.49 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.56 1ile h ARG 705 Cb 0.60 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1ile h ARG 705 CO -0.32 0.15 0.10 0.00 -1.07 0.00 0.00 179.97 178.83 1ile h ALA 706 N 1.01 2.00 0.28 0.04 0.00 -0.63 -1.81 119.26 120.14 1ile h ALA 706 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1ile h ALA 706 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ile h ALA 706 CO -0.01 -0.16 -0.13 1.25 0.00 0.00 0.00 179.25 180.20 1ile h LEU 707 N 0.00 -0.32 -1.34 0.00 7.12 -0.98 -2.98 115.31 116.82 1ile h LEU 707 Ca 0.06 -0.21 0.02 0.00 0.13 0.00 0.00 57.88 57.87 1ile h LEU 707 Cb 0.25 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.43 1ile h LEU 707 CO -0.00 0.15 0.46 0.08 -0.13 0.00 0.00 178.44 178.99 1ile h ARG 708 N -0.89 0.86 -0.42 1.25 -0.00 -1.12 -2.26 114.38 111.79 1ile h ARG 708 Ca -0.04 -0.05 0.07 0.00 -0.00 0.00 0.00 59.98 59.96 1ile h ARG 708 Cb 0.51 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.97 30.22 1ile h ARG 708 CO 0.06 0.57 0.04 -0.44 -0.00 0.00 0.00 179.97 180.20 1ile h ASP 709 N 0.89 -0.09 0.58 0.08 3.32 -1.37 0.17 116.42 119.99 1ile h ASP 709 Ca 0.26 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 1ile h ASP 709 Cb -0.02 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1ile h ASP 709 CO -0.07 -0.01 -0.30 0.15 -1.72 0.00 0.00 179.24 177.29 1ile h PHE 710 N 0.15 -0.77 -0.40 4.55 3.57 -1.26 -2.23 116.94 120.55 1ile h PHE 710 Ca 0.21 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1ile h PHE 710 Cb 0.29 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1ile h PHE 710 CO -0.25 -0.47 0.35 0.28 -2.23 0.00 0.00 178.31 175.99 1ile h VAL 711 N -0.80 0.56 -1.90 1.41 2.07 -0.91 0.21 116.25 116.89 1ile h VAL 711 Ca -0.08 0.00 -0.73 0.00 0.82 0.00 0.00 66.70 66.71 1ile h VAL 711 Cb 0.63 0.74 -0.30 0.00 -1.52 0.00 0.00 31.29 30.83 1ile h VAL 711 CO 0.11 0.00 0.66 0.52 0.02 0.00 0.00 177.57 178.89 1ile n VAL 712 N -4.04 3.37 -0.38 2.57 0.31 0.53 -1.37 118.33 119.33 1ile n VAL 712 Ca 0.07 -4.48 0.00 0.00 -0.01 0.00 0.00 64.34 59.92 1ile n VAL 712 Cb 0.54 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1ile n VAL 712 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1ile n GLU 713 N -0.52 0.00 0.00 5.55 0.00 -0.56 -4.71 120.64 120.41 1ile n GLU 713 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1ile n GLU 713 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.77 1ile n GLU 713 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ile n ASP 714 N 0.00 0.00 -4.79 4.31 2.03 0.63 -3.08 116.55 115.66 1ile n ASP 714 Ca 0.00 0.09 -0.36 0.00 0.52 0.00 0.00 54.79 55.04 1ile n ASP 714 Cb 0.01 -0.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.98 1ile n ASP 714 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ile s LEU 715 N -4.25 4.11 0.00 -2.67 1.98 -0.47 -1.17 118.68 116.21 1ile s LEU 715 Ca 0.00 1.95 0.00 0.00 -2.89 0.00 0.00 54.13 53.19 1ile s LEU 715 Cb 0.00 -4.25 0.00 0.00 0.66 0.00 0.00 46.19 42.60 1ile s LEU 715 CO 0.00 -0.44 0.00 -0.24 -1.89 0.00 0.00 176.35 173.78 1ile n SER 716 N -0.16 -6.58 0.00 3.68 2.88 -1.26 -4.25 113.62 107.93 1ile n SER 716 Ca 0.05 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.31 1ile n SER 716 Cb 0.51 -2.03 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 1ile n SER 716 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ile n GLN 717 N -2.89 0.00 0.00 -1.46 -0.06 -1.26 -4.23 117.38 107.48 1ile n GLN 717 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ile n GLN 717 Cb 0.31 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.49 1ile n GLN 717 CO 0.00 0.00 0.00 1.87 -0.20 0.00 0.00 177.06 178.73 1ile n TRP 718 N 0.00 0.00 -0.25 3.69 -0.00 -1.18 -4.79 117.44 114.92 1ile n TRP 718 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 1ile n TRP 718 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.33 1ile n TRP 718 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 1ile n TYR 719 N 0.00 0.00 1.09 5.87 4.19 -1.23 0.47 117.16 127.56 1ile n TYR 719 Ca 0.00 0.80 0.00 0.00 3.31 0.00 0.00 57.90 62.01 1ile n TYR 719 Cb 0.00 -0.73 0.00 0.00 0.49 0.00 0.00 39.34 39.10 1ile n TYR 719 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1ile n VAL 720 N -4.95 0.00 -3.02 2.97 0.31 -0.31 -1.26 118.33 112.06 1ile n VAL 720 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.14 1ile n VAL 720 Cb 0.25 -0.22 -0.04 0.00 -0.91 0.00 0.00 33.84 32.92 1ile n VAL 720 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ile n ARG 721 N -0.40 2.75 0.00 5.55 5.12 0.18 -3.88 116.66 125.97 1ile n ARG 721 Ca 0.00 -4.56 0.00 0.00 -1.93 0.00 0.00 57.85 51.36 1ile n ARG 721 Cb 0.02 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.19 1ile n ARG 721 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1ile n ARG 722 N -0.06 0.00 -0.20 5.56 0.00 -1.12 -4.92 116.66 115.92 1ile n ARG 722 Ca 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 58.16 1ile n ARG 722 Cb 0.44 0.00 0.12 0.00 0.00 0.00 0.00 32.46 33.02 1ile n ARG 722 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 1ile h ASN 723 N 0.00 0.05 -0.82 6.15 -0.73 -1.34 -0.16 115.58 118.74 1ile h ASN 723 Ca 0.00 0.11 0.19 0.00 1.87 0.00 0.00 56.30 58.47 1ile h ASN 723 Cb 0.00 0.14 -0.12 0.00 0.27 0.00 0.00 38.32 38.61 1ile h ASN 723 CO 0.00 0.03 0.28 0.03 -0.37 0.00 0.00 177.43 177.40 1ile h ARG 724 N 0.29 0.32 0.00 6.67 3.08 -1.84 -0.94 114.38 121.96 1ile h ARG 724 Ca 0.32 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ile h ARG 724 Cb 0.47 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ile h ARG 724 CO -0.39 0.21 0.00 -2.13 -1.07 0.00 0.00 179.97 176.59 1ile n ARG 725 N -5.11 0.00 0.21 0.04 0.63 -0.09 -1.48 116.66 110.87 1ile n ARG 725 Ca 0.18 0.39 0.18 0.00 -0.92 0.00 0.00 57.85 57.68 1ile n ARG 725 Cb 0.56 -1.33 0.80 0.00 0.45 0.00 0.00 32.46 32.94 1ile n ARG 725 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ile h ARG 726 N 0.00 0.00 0.01 -0.14 3.08 -1.36 -2.93 114.38 113.03 1ile h ARG 726 Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1ile h ARG 726 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1ile h ARG 726 CO 0.00 0.00 -1.46 1.19 -1.07 0.00 0.00 179.97 178.63 1ile n PHE 727 N -3.37 0.92 -0.51 3.04 3.01 -0.37 -3.05 117.46 117.12 1ile n PHE 727 Ca 0.02 0.38 0.42 0.00 1.01 0.00 0.00 57.45 59.28 1ile n PHE 727 Cb 0.46 -1.09 0.69 0.00 -0.01 0.00 0.00 39.48 39.53 1ile n PHE 727 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1ile n TRP 728 N -4.35 0.56 -0.61 1.38 7.02 -0.55 -4.17 117.44 116.72 1ile n TRP 728 Ca -0.35 0.57 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 1ile n TRP 728 Cb 0.73 -1.01 0.00 0.00 -2.42 0.00 0.00 31.31 28.61 1ile n TRP 728 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 1ile n LYS 729 N -4.53 0.00 -0.02 -0.99 0.00 -1.25 -5.03 118.16 106.35 1ile n LYS 729 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 1ile n LYS 729 Cb 1.62 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 36.65 1ile n LYS 729 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ile n ASN 730 N 0.00 1.08 -1.47 -5.58 5.03 -1.17 -4.29 115.26 108.86 1ile n ASN 730 Ca 0.00 -0.75 -0.02 0.00 0.87 0.00 0.00 54.58 54.67 1ile n ASN 730 Cb 0.10 -0.19 0.01 0.00 -1.02 0.00 0.00 39.78 38.68 1ile n ASN 730 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ile n GLU 731 N 0.94 1.12 -0.03 3.52 -0.58 -1.26 -2.29 120.64 122.06 1ile n GLU 731 Ca 0.00 -0.24 -0.04 0.00 -0.42 0.00 0.00 57.16 56.46 1ile n GLU 731 Cb 0.17 -1.10 -0.05 0.00 -0.57 0.00 0.00 31.44 29.89 1ile n GLU 731 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ile n ASP 732 N 1.14 3.38 -0.07 1.62 5.68 -1.26 -4.46 116.55 122.57 1ile n ASP 732 Ca 0.05 -0.01 0.11 0.00 -0.50 0.00 0.00 54.79 54.44 1ile n ASP 732 Cb 0.53 0.51 0.05 0.00 -1.14 0.00 0.00 41.12 41.07 1ile n ASP 732 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ile n ALA 733 N -2.34 4.10 -2.81 2.12 0.00 -0.97 -4.95 120.51 115.67 1ile n ALA 733 Ca -0.11 -0.51 -0.15 0.00 0.00 0.00 0.00 53.44 52.67 1ile n ALA 733 Cb 0.70 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1ile n ALA 733 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ile n LEU 734 N -1.27 -0.33 0.00 0.00 4.77 -1.24 -3.86 117.00 115.08 1ile n LEU 734 Ca 0.06 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1ile n LEU 734 Cb 0.35 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1ile n LEU 734 CO 0.37 0.08 0.00 0.47 -1.33 0.00 0.00 177.39 176.98 1ile n ASP 735 N -0.58 0.00 -3.50 -1.43 9.92 -1.26 -4.74 116.55 114.97 1ile n ASP 735 Ca -0.00 0.00 -0.40 0.00 -0.53 0.00 0.00 54.79 53.86 1ile n ASP 735 Cb 0.20 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1ile n ASP 735 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ile n ARG 736 N -0.19 4.77 0.00 -1.24 5.12 -1.25 -1.19 116.66 122.68 1ile n ARG 736 Ca 0.00 -3.77 0.00 0.00 -1.93 0.00 0.00 57.85 52.15 1ile n ARG 736 Cb 0.00 -2.57 0.00 0.00 -1.16 0.00 0.00 32.46 28.73 1ile n ARG 736 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1ile n GLU 737 N 1.20 0.15 0.23 5.56 -0.00 -1.26 -4.17 120.64 122.35 1ile n GLU 737 Ca 0.58 0.00 0.15 0.00 -0.00 0.00 0.00 57.16 57.89 1ile n GLU 737 Cb 0.26 -0.01 0.55 0.00 -0.00 0.00 0.00 31.44 32.24 1ile n GLU 737 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ile h ALA 738 N 0.00 1.00 -0.59 -1.84 0.00 -1.47 -1.66 119.26 114.70 1ile h ALA 738 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ile h ALA 738 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ile h ALA 738 CO 0.00 0.00 0.19 0.00 0.00 0.00 0.00 179.25 179.44 1ile h ALA 739 N 2.07 1.21 -0.47 0.00 0.00 -1.88 -1.78 119.26 118.42 1ile h ALA 739 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1ile h ALA 739 Cb 0.58 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1ile h ALA 739 CO 0.00 0.55 0.23 1.88 0.00 0.00 0.00 179.25 181.91 1ile h TYR 740 N 0.87 0.41 0.70 0.00 -1.99 -1.66 -0.05 116.97 115.24 1ile h TYR 740 Ca 0.20 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 1ile h TYR 740 Cb 0.25 -0.12 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 1ile h TYR 740 CO 0.02 0.20 -0.40 0.00 -0.00 0.00 0.00 178.16 177.98 1ile h ALA 741 N 1.26 -1.04 -0.32 3.88 0.00 -1.41 0.21 119.26 121.84 1ile h ALA 741 Ca 0.21 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ile h ALA 741 Cb 0.13 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ile h ALA 741 CO -0.15 -1.09 0.15 1.79 0.00 0.00 0.00 179.25 179.94 1ile h THR 742 N -1.02 0.97 -0.12 0.00 1.35 -1.19 0.25 112.91 113.15 1ile h THR 742 Ca -0.09 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1ile h THR 742 Cb 0.81 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1ile h THR 742 CO 0.11 0.06 0.05 0.25 -0.25 0.00 0.00 175.52 175.74 1ile h LEU 743 N 0.31 0.15 -0.04 3.87 5.85 -0.82 0.12 115.31 124.75 1ile h LEU 743 Ca 0.13 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1ile h LEU 743 Cb 0.06 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1ile h LEU 743 CO -0.10 0.14 -0.08 0.22 -0.34 0.00 0.00 178.44 178.28 1ile h TYR 744 N 0.17 0.16 -0.30 1.25 3.20 0.30 -2.71 116.97 119.05 1ile h TYR 744 Ca 0.04 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1ile h TYR 744 Cb 0.04 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1ile h TYR 744 CO 0.00 0.65 0.20 0.93 -1.64 0.00 0.00 178.16 178.30 1ile h GLU 745 N -0.38 0.26 0.03 1.82 5.08 0.70 -1.17 114.58 120.92 1ile h GLU 745 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ile h GLU 745 Cb 0.64 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ile h GLU 745 CO 0.02 0.17 -0.02 0.00 -1.00 0.00 0.00 179.01 178.18 1ile h ALA 746 N 1.83 -0.04 -0.99 3.43 0.00 -1.05 -1.72 119.26 120.72 1ile h ALA 746 Ca 0.12 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 54.82 1ile h ALA 746 Cb 0.16 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 1ile h ALA 746 CO -0.02 -0.12 0.62 -0.07 0.00 0.00 0.00 179.25 179.65 1ile h LEU 747 N -0.84 0.86 -0.37 0.00 3.38 -1.28 0.28 115.31 117.33 1ile h LEU 747 Ca -0.00 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1ile h LEU 747 Cb 0.71 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ile h LEU 747 CO 0.01 0.43 0.03 0.58 0.09 0.00 0.00 178.44 179.58 1ile h VAL 748 N 0.91 1.25 0.18 1.22 2.07 -1.24 0.14 116.25 120.78 1ile h VAL 748 Ca 0.50 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ile h VAL 748 Cb 0.60 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1ile h VAL 748 CO -0.27 0.31 -0.16 0.25 0.02 0.00 0.00 177.57 177.72 1ile h LEU 749 N 0.47 -0.41 -0.15 2.57 5.85 -0.02 -0.74 115.31 122.89 1ile h LEU 749 Ca 0.11 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1ile h LEU 749 Cb 0.41 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1ile h LEU 749 CO 0.01 -0.24 -0.33 0.58 -0.34 0.00 0.00 178.44 178.13 1ile h VAL 750 N -0.35 0.27 -0.66 1.05 2.07 -0.36 0.14 116.25 118.41 1ile h VAL 750 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1ile h VAL 750 Cb 0.32 0.27 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1ile h VAL 750 CO -0.02 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.82 1ile h ALA 751 N 0.42 0.87 -0.09 1.67 0.00 -0.34 0.10 119.26 121.88 1ile h ALA 751 Ca 0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ile h ALA 751 Cb 0.55 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ile h ALA 751 CO -0.37 -0.19 0.01 1.15 0.00 0.00 0.00 179.25 179.86 1ile h THR 752 N 0.43 1.22 -0.64 0.00 2.02 0.04 -2.54 112.91 113.43 1ile h THR 752 Ca 0.34 -0.69 0.05 0.00 0.77 0.00 0.00 66.41 66.88 1ile h THR 752 Cb 0.45 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 1ile h THR 752 CO -0.34 0.20 0.42 -0.07 0.37 0.00 0.00 175.52 176.10 1ile h LEU 753 N -0.08 0.59 -0.75 2.58 3.38 0.01 -1.52 115.31 119.51 1ile h LEU 753 Ca 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ile h LEU 753 Cb 0.30 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ile h LEU 753 CO 0.00 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1ile h ALA 754 N 1.64 1.00 -0.89 1.53 0.00 -0.67 -3.35 119.26 118.53 1ile h ALA 754 Ca 0.27 0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1ile h ALA 754 Cb 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 1ile h ALA 754 CO -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.13 1ile h ALA 755 N 2.11 0.89 -0.24 0.00 0.00 -0.87 0.07 119.26 121.22 1ile h ALA 755 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1ile h ALA 755 Cb 0.65 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ile h ALA 755 CO 0.00 -0.47 -0.38 -1.35 0.00 0.00 0.00 179.25 177.05 1ile h PRO 756 N 0.04 0.54 0.09 0.00 0.11 -1.80 -2.87 132.00 128.12 1ile h PRO 756 Ca 0.49 -0.26 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 1ile h PRO 756 Cb 0.91 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ile h PRO 756 CO -0.83 0.84 -0.04 0.74 -0.21 0.00 0.00 178.00 178.49 1ile h PHE 757 N 0.45 -0.11 -3.15 0.65 -1.00 -1.30 -3.41 116.94 109.07 1ile h PHE 757 Ca 0.04 -0.00 -0.63 0.00 2.81 0.00 0.00 57.97 60.19 1ile h PHE 757 Cb 0.86 0.04 -0.42 0.00 3.61 0.00 0.00 35.95 40.05 1ile h PHE 757 CO 0.03 0.14 -0.56 0.95 -1.61 0.00 0.00 178.31 177.26 1ile s THR 758 N -2.21 2.91 -1.44 -1.55 -4.23 -0.21 -4.65 115.64 104.27 1ile s THR 758 Ca -0.06 -4.10 0.02 0.00 -1.18 0.00 0.00 61.69 56.37 1ile s THR 758 Cb -0.00 -2.92 0.04 0.00 1.34 0.00 0.00 72.50 70.95 1ile s THR 758 CO 0.21 -0.97 0.87 -0.81 -0.54 0.00 0.00 174.62 173.38 1ile n PRO 759 N 2.18 0.03 -0.08 3.99 -0.04 -1.08 -2.32 135.00 137.68 1ile n PRO 759 Ca 0.17 0.26 -0.07 0.00 -0.04 0.00 0.00 63.50 63.82 1ile n PRO 759 Cb 0.35 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1ile n PRO 759 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ile n PHE 760 N -1.28 0.05 -0.17 0.54 3.72 -1.26 -4.03 117.46 115.02 1ile n PHE 760 Ca 0.01 0.02 -0.07 0.00 -0.05 0.00 0.00 57.45 57.36 1ile n PHE 760 Cb 0.02 -0.44 -0.01 0.00 -0.94 0.00 0.00 39.48 38.10 1ile n PHE 760 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1ile h LEU 761 N -0.86 -1.22 -1.05 4.37 5.85 -1.96 0.62 115.31 121.06 1ile h LEU 761 Ca 0.00 0.22 0.19 0.00 0.84 0.00 0.00 57.88 59.13 1ile h LEU 761 Cb 0.83 0.58 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 1ile h LEU 761 CO 0.00 -0.32 0.61 0.00 -0.34 0.00 0.00 178.44 178.39 1ile h ALA 762 N 0.81 1.72 -0.43 1.25 0.00 -1.71 0.21 119.26 121.11 1ile h ALA 762 Ca 0.20 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 1ile h ALA 762 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ile h ALA 762 CO -0.63 -0.09 -0.19 1.49 0.00 0.00 0.00 179.25 179.82 1ile h GLU 763 N 0.73 0.89 -0.00 0.00 4.57 -0.01 0.51 114.58 121.28 1ile h GLU 763 Ca 0.57 -0.38 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1ile h GLU 763 Cb 0.93 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1ile h GLU 763 CO -0.37 1.03 0.00 -0.39 -1.18 0.00 0.00 179.01 178.11 1ile h VAL 764 N 0.72 1.21 -0.90 0.32 -1.51 0.16 0.45 116.25 116.70 1ile h VAL 764 Ca 0.10 -0.61 0.11 0.00 -1.23 0.00 0.00 66.70 65.08 1ile h VAL 764 Cb 0.75 1.61 -0.08 0.00 -2.13 0.00 0.00 31.29 31.44 1ile h VAL 764 CO 0.06 0.16 0.53 -0.07 -1.23 0.00 0.00 177.57 177.02 1ile h LEU 765 N -0.25 0.75 -0.32 4.19 3.38 -0.70 -1.16 115.31 121.19 1ile h LEU 765 Ca 0.00 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1ile h LEU 765 Cb 0.26 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1ile h LEU 765 CO 0.00 0.40 -0.81 -0.25 0.09 0.00 0.00 178.44 177.87 1ile h TRP 766 N 0.84 0.00 -0.44 1.13 2.91 -0.41 -2.02 115.95 117.97 1ile h TRP 766 Ca 0.45 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.43 1ile h TRP 766 Cb 0.46 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.09 1ile h TRP 766 CO -0.04 0.81 0.11 0.37 -1.03 0.00 0.00 178.44 178.67 1ile h GLN 767 N 0.00 0.65 0.00 2.65 5.75 0.11 -3.04 115.11 121.23 1ile h GLN 767 Ca -0.01 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1ile h GLN 767 Cb 1.47 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.91 1ile h GLN 767 CO 0.11 0.59 0.00 -1.71 -2.65 0.00 0.00 178.83 175.16 1ile n ASN 768 N -4.32 0.00 -0.35 -0.69 2.85 -0.98 -3.75 115.26 108.02 1ile n ASN 768 Ca 0.03 0.00 0.27 0.00 -0.11 0.00 0.00 54.58 54.77 1ile n ASN 768 Cb 0.20 0.00 0.42 0.00 1.24 0.00 0.00 39.78 41.64 1ile n ASN 768 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ile n LEU 769 N -0.49 0.03 -0.08 1.20 4.32 -0.76 -2.05 117.00 119.16 1ile n LEU 769 Ca 0.00 0.59 -0.14 0.00 -0.02 0.00 0.00 56.01 56.44 1ile n LEU 769 Cb 0.00 -0.29 -0.05 0.00 -1.62 0.00 0.00 43.42 41.46 1ile n LEU 769 CO 0.00 -0.61 -0.82 0.52 -1.22 0.00 0.00 177.39 175.27 1ile n VAL 770 N -3.22 1.34 0.22 4.08 0.31 -1.17 -4.45 118.33 115.45 1ile n VAL 770 Ca 0.23 -0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.70 1ile n VAL 770 Cb 1.02 -2.03 0.75 0.00 -0.91 0.00 0.00 33.84 32.67 1ile n VAL 770 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1ile h ARG 771 N -0.78 0.00 0.06 5.55 2.47 -1.33 -1.64 114.38 118.71 1ile h ARG 771 Ca -0.22 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1ile h ARG 771 Cb 1.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1ile h ARG 771 CO -0.13 0.00 -0.03 0.77 0.56 0.00 0.00 179.97 181.14 1ile h SER 772 N 0.00 -0.07 0.00 7.04 0.02 -1.61 -3.32 113.55 115.61 1ile h SER 772 Ca 0.00 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1ile h SER 772 Cb 0.03 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1ile h SER 772 CO 0.00 0.63 0.00 0.52 -1.14 0.00 0.00 176.83 176.84 1ile n VAL 773 N -4.77 0.00 -2.97 2.27 0.31 -0.94 -4.25 118.33 107.98 1ile n VAL 773 Ca -0.07 0.81 -0.44 0.00 -0.01 0.00 0.00 64.34 64.63 1ile n VAL 773 Cb 0.27 -1.59 -0.01 0.00 -0.91 0.00 0.00 33.84 31.60 1ile n VAL 773 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ile s ARG 774 N -1.35 3.97 0.00 5.55 3.00 -0.66 -4.85 118.95 124.61 1ile s ARG 774 Ca 0.00 -2.42 0.06 0.00 0.00 0.00 0.00 55.73 53.37 1ile s ARG 774 Cb 0.00 -4.99 0.37 0.00 0.00 0.00 0.00 34.95 30.32 1ile s ARG 774 CO 0.00 -1.73 0.83 1.47 0.00 0.00 0.00 175.30 175.87 1ile n LEU 775 N 5.69 0.00 -0.76 2.53 -0.00 -1.25 -2.15 117.00 121.06 1ile n LEU 775 Ca 0.33 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.41 1ile n LEU 775 Cb 0.44 0.00 0.16 0.00 -0.00 0.00 0.00 43.42 44.02 1ile n LEU 775 CO 0.58 0.00 0.62 -1.84 -0.00 0.00 0.00 177.39 176.75 1ile n GLU 776 N -1.00 2.36 -1.70 1.47 0.00 -1.26 -5.01 120.64 115.50 1ile n GLU 776 Ca 0.05 -1.99 -0.29 0.00 0.00 0.00 0.00 57.16 54.92 1ile n GLU 776 Cb 0.02 -1.33 0.10 0.00 0.00 0.00 0.00 31.44 30.23 1ile n GLU 776 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ile s ALA 777 N -1.05 2.33 0.36 -1.84 0.00 -0.92 -4.98 121.76 115.67 1ile s ALA 777 Ca 0.26 -0.44 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 1ile s ALA 777 Cb 0.15 -3.03 -0.12 0.00 0.00 0.00 0.00 23.12 20.11 1ile s ALA 777 CO 0.20 -1.77 1.10 1.63 0.00 0.00 0.00 175.76 176.91 1ile n LYS 778 N -3.42 1.59 0.27 0.00 4.76 -1.26 -4.88 118.16 115.21 1ile n LYS 778 Ca 0.07 0.56 0.10 0.00 -2.87 0.00 0.00 58.31 56.17 1ile n LYS 778 Cb 0.59 -2.08 0.71 0.00 -1.84 0.00 0.00 35.03 32.41 1ile n LYS 778 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1ile h GLU 779 N 1.97 0.00 -5.34 1.97 5.08 -1.95 -3.44 114.58 112.86 1ile h GLU 779 Ca -0.44 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.53 1ile h GLU 779 Cb 1.32 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.41 1ile h GLU 779 CO 0.60 0.03 -0.74 0.45 -1.00 0.00 0.00 179.01 178.35 1ile s SER 780 N -6.73 2.07 0.23 1.42 0.15 -1.26 -4.90 113.70 104.67 1ile s SER 780 Ca -0.05 -0.92 -0.04 0.00 0.70 0.00 0.00 55.95 55.65 1ile s SER 780 Cb 0.16 -0.07 0.23 0.00 -1.71 0.00 0.00 66.02 64.63 1ile s SER 780 CO 0.63 -0.21 1.67 0.58 1.20 0.00 0.00 173.24 177.11 1ile h VAL 781 N 3.07 1.26 0.00 4.45 2.07 -1.89 -2.16 116.25 123.05 1ile h VAL 781 Ca -0.38 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1ile h VAL 781 Cb 1.20 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1ile h VAL 781 CO 0.57 0.42 0.00 1.41 0.02 0.00 0.00 177.57 179.99 1ile n HIS 782 N -4.14 0.00 0.56 1.57 8.25 -1.26 -0.10 115.22 120.09 1ile n HIS 782 Ca 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.53 1ile n HIS 782 Cb 0.39 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 1ile n HIS 782 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ile n LEU 783 N -1.07 1.26 0.00 2.41 4.77 -0.81 -4.81 117.00 118.75 1ile n LEU 783 Ca 0.03 -0.72 -0.28 0.00 -0.03 0.00 0.00 56.01 55.01 1ile n LEU 783 Cb 0.02 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.32 1ile n LEU 783 CO 0.02 0.25 0.70 0.00 -1.33 0.00 0.00 177.39 177.04 1ile n ALA 784 N -0.37 -2.29 -2.63 -1.18 0.00 0.86 -4.99 120.51 109.92 1ile n ALA 784 Ca 0.05 -1.58 -0.30 0.00 0.00 0.00 0.00 53.44 51.60 1ile n ALA 784 Cb 0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 1ile n ALA 784 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ile s ASP 785 N -4.95 4.71 0.07 0.00 1.11 -1.26 -4.58 116.67 111.76 1ile s ASP 785 Ca 0.69 -0.24 -0.31 0.00 0.18 0.00 0.00 52.55 52.87 1ile s ASP 785 Cb -0.04 -1.04 -0.07 0.00 1.07 0.00 0.00 42.92 42.84 1ile s ASP 785 CO 0.50 0.20 1.46 0.86 1.18 0.00 0.00 175.17 179.38 1ile s TRP 786 N -1.20 2.91 0.33 4.23 -0.11 -0.37 -4.94 118.94 119.78 1ile s TRP 786 Ca 0.22 0.74 -0.29 0.00 1.22 0.00 0.00 56.10 58.00 1ile s TRP 786 Cb -0.11 -3.75 -0.10 0.00 -1.50 0.00 0.00 33.47 28.00 1ile s TRP 786 CO 0.14 -2.80 1.33 -1.25 -4.62 0.00 0.00 176.95 169.75 1ile s PRO 787 N 1.91 4.33 0.47 5.86 0.04 -1.26 -4.93 135.00 141.42 1ile s PRO 787 Ca 0.67 2.25 0.07 0.00 0.04 0.00 0.00 61.00 64.03 1ile s PRO 787 Cb -0.36 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.12 1ile s PRO 787 CO 0.29 -0.24 0.45 -1.21 0.04 0.00 0.00 177.00 176.33 1ile s GLU 788 N -1.67 2.43 0.01 4.56 0.41 -1.26 -5.02 118.70 118.16 1ile s GLU 788 Ca 0.50 -1.67 -0.00 0.00 -0.41 0.00 0.00 54.97 53.39 1ile s GLU 788 Cb -0.40 -2.35 -0.04 0.00 -1.78 0.00 0.00 34.13 29.56 1ile s GLU 788 CO 0.53 -0.40 0.10 0.00 -0.49 0.00 0.00 175.26 175.00 1ile s ALA 789 N -2.58 3.65 -0.28 5.21 0.00 -1.26 -5.07 121.76 121.43 1ile s ALA 789 Ca 0.46 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 1ile s ALA 789 Cb -0.03 -1.61 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1ile s ALA 789 CO 0.28 0.72 0.55 0.34 0.00 0.00 0.00 175.76 177.64 1ile s ASP 790 N -1.92 6.45 0.51 0.00 2.15 -1.26 -4.93 116.67 117.67 1ile s ASP 790 Ca 0.25 0.47 0.21 0.00 0.43 0.00 0.00 52.55 53.91 1ile s ASP 790 Cb -0.12 -2.29 1.31 0.00 -0.30 0.00 0.00 42.92 41.51 1ile s ASP 790 CO 0.17 -0.35 2.03 1.55 -0.17 0.00 0.00 175.17 178.40 1ile h PRO 791 N 8.08 0.06 0.17 4.34 0.13 -1.97 -2.22 132.00 140.59 1ile h PRO 791 Ca -0.28 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1ile h PRO 791 Cb 1.13 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1ile h PRO 791 CO 0.74 0.04 -0.25 0.00 -0.23 0.00 0.00 178.00 178.31 1ile h ALA 792 N 1.79 -0.46 0.00 -0.56 0.00 -2.04 -2.30 119.26 115.69 1ile h ALA 792 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ile h ALA 792 Cb 0.69 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ile h ALA 792 CO -0.01 -0.80 0.00 1.28 0.00 0.00 0.00 179.25 179.72 1ile n LEU 793 N -5.37 0.00 -4.62 0.00 4.77 -0.85 -4.78 117.00 106.15 1ile n LEU 793 Ca -0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1ile n LEU 793 Cb 0.28 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1ile n LEU 793 CO 0.27 0.00 0.92 0.00 -1.33 0.00 0.00 177.39 177.25 1ile s ALA 794 N -2.00 3.40 -0.50 -1.18 0.00 -0.87 -3.41 121.76 117.19 1ile s ALA 794 Ca 0.43 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.21 1ile s ALA 794 Cb 0.20 -3.69 0.25 0.00 0.00 0.00 0.00 23.12 19.87 1ile s ALA 794 CO 0.33 -1.69 0.62 -3.47 0.00 0.00 0.00 175.76 171.55 1ile n ASP 795 N 7.06 1.77 -0.18 0.00 -0.08 -1.26 -4.99 116.55 118.88 1ile n ASP 795 Ca 0.11 -3.02 -0.06 0.00 -1.51 0.00 0.00 54.79 50.30 1ile n ASP 795 Cb 0.48 -0.65 -0.00 0.00 2.34 0.00 0.00 41.12 43.28 1ile n ASP 795 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ile h GLU 796 N 4.11 -0.18 -0.55 -0.67 4.81 -1.92 -0.27 114.58 119.91 1ile h GLU 796 Ca 0.13 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 1ile h GLU 796 Cb 0.78 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.09 1ile h GLU 796 CO 0.63 -0.12 -0.21 0.00 -0.73 0.00 0.00 179.01 178.58 1ile h ALA 797 N 0.92 0.23 0.24 2.92 0.00 -1.99 0.29 119.26 121.87 1ile h ALA 797 Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ile h ALA 797 Cb 0.55 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ile h ALA 797 CO -0.64 -0.52 -0.26 1.25 0.00 0.00 0.00 179.25 179.08 1ile h LEU 798 N -0.07 -0.70 -1.45 0.00 5.85 -1.57 0.61 115.31 117.97 1ile h LEU 798 Ca 0.26 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.13 1ile h LEU 798 Cb 0.47 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1ile h LEU 798 CO -0.61 -0.37 0.46 0.58 -0.34 0.00 0.00 178.44 178.16 1ile h VAL 799 N -0.54 0.96 0.55 1.05 2.07 -0.15 0.12 116.25 120.31 1ile h VAL 799 Ca -0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1ile h VAL 799 Cb 0.51 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1ile h VAL 799 CO -0.07 0.12 -0.26 0.00 0.02 0.00 0.00 177.57 177.37 1ile h ALA 800 N 1.63 -0.74 -0.04 1.67 0.00 0.44 0.23 119.26 122.46 1ile h ALA 800 Ca 0.32 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ile h ALA 800 Cb 0.41 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1ile h ALA 800 CO -0.11 -0.86 -0.26 1.96 0.00 0.00 0.00 179.25 179.98 1ile h GLN 801 N -0.84 -0.36 -0.24 0.00 4.20 0.30 -0.42 115.11 117.75 1ile h GLN 801 Ca -0.08 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1ile h GLN 801 Cb 0.61 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1ile h GLN 801 CO 0.12 -0.24 0.10 1.98 -0.67 0.00 0.00 178.83 180.12 1ile h MET 802 N -0.38 0.32 -0.76 1.46 4.05 -0.77 -0.96 114.93 117.89 1ile h MET 802 Ca 0.08 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 1ile h MET 802 Cb 0.48 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1ile h MET 802 CO -0.26 0.26 0.32 -0.09 0.23 0.00 0.00 176.91 177.37 1ile h ARG 803 N 0.33 1.14 0.14 0.39 2.43 0.10 -0.19 114.38 118.71 1ile h ARG 803 Ca 0.08 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1ile h ARG 803 Cb 0.06 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1ile h ARG 803 CO -0.01 0.92 -0.07 0.00 -1.51 0.00 0.00 179.97 179.30 1ile h ALA 804 N 1.16 -0.18 -0.49 2.80 0.00 -0.03 -2.72 119.26 119.80 1ile h ALA 804 Ca 0.26 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ile h ALA 804 Cb 0.20 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 1ile h ALA 804 CO -0.02 -0.58 -0.53 0.28 0.00 0.00 0.00 179.25 178.40 1ile h VAL 805 N -0.23 0.02 -1.03 0.00 2.07 -0.71 0.12 116.25 116.49 1ile h VAL 805 Ca -0.02 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.78 1ile h VAL 805 Cb 0.18 0.02 -0.12 0.00 -1.52 0.00 0.00 31.29 29.85 1ile h VAL 805 CO 0.03 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.17 1ile h LEU 806 N -0.33 0.58 0.70 2.57 3.38 -0.87 0.31 115.31 121.65 1ile h LEU 806 Ca 0.11 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1ile h LEU 806 Cb 0.57 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ile h LEU 806 CO -0.64 0.04 -0.33 0.50 0.09 0.00 0.00 178.44 178.09 1ile h LYS 807 N 0.47 -0.90 -0.44 1.13 3.64 -0.48 -3.05 116.57 116.94 1ile h LYS 807 Ca 0.66 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 60.19 1ile h LYS 807 Cb 1.44 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 33.37 1ile h LYS 807 CO -0.46 -0.57 -0.25 0.28 -2.27 0.00 0.00 179.45 176.17 1ile h VAL 808 N -1.15 0.32 -0.99 2.00 2.07 -0.43 -0.08 116.25 117.98 1ile h VAL 808 Ca -0.10 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.80 1ile h VAL 808 Cb 0.75 0.32 -0.18 0.00 -1.52 0.00 0.00 31.29 30.66 1ile h VAL 808 CO 0.16 0.00 0.42 0.58 0.02 0.00 0.00 177.57 178.75 1ile h VAL 809 N -0.17 0.04 0.00 2.57 2.07 -0.97 -0.06 116.25 119.74 1ile h VAL 809 Ca 0.20 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1ile h VAL 809 Cb 0.49 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ile h VAL 809 CO -0.54 0.01 0.00 0.47 0.02 0.00 0.00 177.57 177.53 1ile n ASP 810 N -5.29 0.00 -0.31 0.57 8.00 -0.05 -2.10 116.55 117.36 1ile n ASP 810 Ca 0.34 0.68 -0.10 0.00 0.71 0.00 0.00 54.79 56.42 1ile n ASP 810 Cb 1.12 -0.37 -0.08 0.00 -0.02 0.00 0.00 41.12 41.77 1ile n ASP 810 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1ile h LEU 811 N 0.00 -1.77 0.01 0.64 3.38 -1.33 0.30 115.31 116.54 1ile h LEU 811 Ca 0.00 0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ile h LEU 811 Cb 0.00 0.77 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1ile h LEU 811 CO 0.00 -0.22 -0.06 0.00 0.09 0.00 0.00 178.44 178.25 1ile h ALA 812 N 0.17 -0.59 0.00 1.53 0.00 -1.18 -0.25 119.26 118.94 1ile h ALA 812 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ile h ALA 812 Cb 0.37 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ile h ALA 812 CO -0.74 -0.60 0.00 0.54 0.00 0.00 0.00 179.25 178.45 1ile n ARG 813 N -2.83 0.90 0.00 0.00 1.74 -0.89 -0.52 116.66 115.06 1ile n ARG 813 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1ile n ARG 813 Cb 0.05 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1ile n ARG 813 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ile n ALA 814 N 0.82 1.42 0.53 7.54 0.00 0.10 -4.64 120.51 126.28 1ile n ALA 814 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1ile n ALA 814 Cb 0.45 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.19 1ile n ALA 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ile n ALA 815 N -1.01 1.67 -1.16 0.00 0.00 0.32 -3.92 120.51 116.42 1ile n ALA 815 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1ile n ALA 815 Cb 0.00 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1ile n ALA 815 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ile n ARG 816 N -1.33 2.74 0.06 0.00 1.74 -1.26 -4.18 116.66 114.42 1ile n ARG 816 Ca 0.05 -1.97 -0.12 0.00 -0.77 0.00 0.00 57.85 55.04 1ile n ARG 816 Cb 0.10 -2.78 -0.13 0.00 -1.02 0.00 0.00 32.46 28.63 1ile n ARG 816 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ile h ALA 817 N 5.98 0.32 -1.26 7.54 0.00 -1.97 -3.46 119.26 126.41 1ile h ALA 817 Ca 0.64 -1.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.02 1ile h ALA 817 Cb 0.35 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ile h ALA 817 CO 1.71 1.19 -0.33 0.15 0.00 0.00 0.00 179.25 181.98 1ile s LYS 818 N -2.66 2.47 -0.45 0.00 -0.14 -1.26 -5.07 119.74 112.64 1ile s LYS 818 Ca -0.04 -1.62 -0.28 0.00 -1.36 0.00 0.00 55.97 52.67 1ile s LYS 818 Cb 0.08 -2.38 -0.00 0.00 -1.68 0.00 0.00 37.83 33.85 1ile s LYS 818 CO 0.85 -0.35 1.61 -1.12 -0.76 0.00 0.00 175.35 175.58 1ile s SER 819 N -4.23 5.97 0.00 2.83 0.01 -1.26 -4.86 113.70 112.16 1ile s SER 819 Ca 0.47 0.79 0.16 0.00 1.31 0.00 0.00 55.95 58.69 1ile s SER 819 Cb -0.04 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.81 1ile s SER 819 CO 0.28 -1.74 1.04 0.61 0.41 0.00 0.00 173.24 173.85 1ile n GLY 820 N 5.33 0.38 0.00 3.44 0.00 -1.26 -5.17 105.19 107.91 1ile n GLY 820 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1ile n GLY 820 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87