#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m h ARG 2 N 0.00 0.02 0.00 0.54 2.43 -2.09 -3.45 114.38 111.83 3i1m h ARG 2 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i1m h ARG 2 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3i1m h ARG 2 CO 0.00 0.82 0.00 2.89 -1.51 0.00 0.00 179.97 182.17 3i1m n ARG 3 N -3.59 0.00 -1.84 0.20 1.85 -1.26 -5.00 116.66 107.03 3i1m n ARG 3 Ca -0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.49 3i1m n ARG 3 Cb 0.78 -0.01 -0.05 0.00 -1.05 0.00 0.00 32.46 32.13 3i1m n ARG 3 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3i1m n ARG 4 N -2.98 1.85 -0.78 2.89 3.00 -1.26 -4.94 116.66 114.45 3i1m n ARG 4 Ca 0.00 -2.40 -0.34 0.00 -0.00 0.00 0.00 57.85 55.11 3i1m n ARG 4 Cb 0.00 -3.44 0.13 0.00 0.00 0.00 0.00 32.46 29.15 3i1m n ARG 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i1m n VAL 5 N 6.95 0.00 -0.83 5.15 0.24 -1.26 -4.21 118.33 124.36 3i1m n VAL 5 Ca 0.47 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 3i1m n VAL 5 Cb 0.44 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 3i1m n VAL 5 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1m n ILE 6 N -3.95 0.00 0.00 1.34 -5.35 -1.26 -5.00 119.36 105.14 3i1m n ILE 6 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 3i1m n ILE 6 Cb 0.62 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 3i1m n ILE 6 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1m n GLY 7 N 0.00 0.29 0.00 3.28 0.00 -1.26 -5.17 105.19 102.33 3i1m n GLY 7 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i1m n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1m n GLN 8 N 0.00 0.00 -1.81 1.61 0.00 -1.26 -5.14 117.38 110.77 3i1m n GLN 8 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.00 56.63 3i1m n GLN 8 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 30.24 30.30 3i1m n GLN 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3i1m s ARG 9 N -0.70 2.72 0.41 2.61 1.70 -1.26 -5.03 118.95 119.40 3i1m s ARG 9 Ca 0.00 2.03 0.08 0.00 -0.47 0.00 0.00 55.73 57.36 3i1m s ARG 9 Cb 0.00 -1.91 -0.03 0.00 -0.57 0.00 0.00 34.95 32.44 3i1m s ARG 9 CO 0.00 -1.46 0.33 0.15 -1.08 0.00 0.00 175.30 173.24 3i1m s LYS 10 N -3.31 2.50 0.13 3.89 1.02 -1.26 -5.14 119.74 117.56 3i1m s LYS 10 Ca 0.80 -1.56 0.05 0.00 0.02 0.00 0.00 55.97 55.28 3i1m s LYS 10 Cb -0.36 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 3i1m s LYS 10 CO 0.39 -0.15 -0.11 0.96 -0.92 0.00 0.00 175.35 175.52 3i1m s ILE 11 N -2.48 1.16 0.56 2.17 -4.36 -1.26 -5.13 121.20 111.87 3i1m s ILE 11 Ca 0.46 -1.88 -0.21 0.00 -0.26 0.00 0.00 60.65 58.76 3i1m s ILE 11 Cb -0.02 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 3i1m s ILE 11 CO 0.27 -0.62 1.36 -0.76 0.24 0.00 0.00 174.94 175.42 3i1m s LEU 12 N -2.83 3.82 1.40 0.37 2.01 -1.26 -4.98 118.68 117.21 3i1m s LEU 12 Ca 0.12 2.76 -0.23 0.00 0.01 0.00 0.00 54.13 56.79 3i1m s LEU 12 Cb -0.01 -4.31 0.36 0.00 0.01 0.00 0.00 46.19 42.24 3i1m s LEU 12 CO 0.01 -1.63 0.96 -2.16 1.01 0.00 0.00 176.35 174.53 3i1m s PRO 13 N -2.96 -2.79 -0.08 1.29 0.04 -1.26 -4.88 135.00 124.36 3i1m s PRO 13 Ca 0.73 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 3i1m s PRO 13 Cb -0.40 -1.40 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 3i1m s PRO 13 CO 0.47 -4.77 1.75 0.34 0.04 0.00 0.00 177.00 174.83 3i1m s ASP 14 N -3.30 6.49 0.00 6.66 3.68 -0.64 -4.82 116.67 124.73 3i1m s ASP 14 Ca 0.69 2.18 0.00 0.00 2.13 0.00 0.00 52.55 57.55 3i1m s ASP 14 Cb -0.12 -2.53 0.00 0.00 -1.45 0.00 0.00 42.92 38.82 3i1m s ASP 14 CO 0.57 -1.08 0.81 -0.81 0.13 0.00 0.00 175.17 174.79 3i1m n PRO 15 N 7.42 0.00 -0.48 4.34 -0.04 -1.26 -0.21 135.00 144.77 3i1m n PRO 15 Ca 0.19 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 3i1m n PRO 15 Cb 0.43 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3i1m n PRO 15 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3i1m n LYS 16 N -1.31 0.00 0.02 0.54 4.81 -1.26 -4.91 118.16 116.05 3i1m n LYS 16 Ca 0.00 -0.95 0.00 0.00 -0.87 0.00 0.00 58.31 56.49 3i1m n LYS 16 Cb 0.11 -0.48 0.00 0.00 0.02 0.00 0.00 35.03 34.67 3i1m n LYS 16 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i1m n PHE 17 N 0.00 -1.94 0.00 5.64 3.01 -0.64 -5.04 117.46 118.48 3i1m n PHE 17 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.58 3i1m n PHE 17 Cb 0.68 0.74 0.00 0.00 -0.01 0.00 0.00 39.48 40.90 3i1m n PHE 17 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1m n GLY 18 N -0.55 0.83 3.72 1.37 0.00 0.70 -4.91 105.19 106.36 3i1m n GLY 18 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1m n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1m s SER 19 N -1.58 7.37 0.17 1.61 0.15 -1.26 -4.13 113.70 116.03 3i1m s SER 19 Ca 0.00 1.65 -0.11 0.00 0.70 0.00 0.00 55.95 58.18 3i1m s SER 19 Cb 0.00 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.83 3i1m s SER 19 CO 0.00 -0.13 1.69 -0.33 1.20 0.00 0.00 173.24 175.67 3i1m h GLU 20 N 6.13 0.94 0.88 5.44 4.39 -1.93 -1.63 114.58 128.80 3i1m h GLU 20 Ca -0.42 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.02 3i1m h GLU 20 Cb 1.21 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3i1m h GLU 20 CO 0.73 0.85 -0.48 -0.07 -1.16 0.00 0.00 179.01 178.89 3i1m h LEU 21 N 0.86 -1.18 -0.95 1.33 3.38 -1.98 -0.88 115.31 115.90 3i1m h LEU 21 Ca 0.19 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.28 3i1m h LEU 21 Cb 0.32 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 3i1m h LEU 21 CO -0.00 -0.77 0.60 0.25 0.09 0.00 0.00 178.44 178.61 3i1m h LEU 22 N -1.25 0.96 -0.61 1.67 6.46 -1.99 0.46 115.31 121.00 3i1m h LEU 22 Ca -0.12 0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.78 3i1m h LEU 22 Cb 0.98 -0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 40.61 3i1m h LEU 22 CO 0.16 0.61 -0.02 0.00 -0.62 0.00 0.00 178.44 178.57 3i1m h ALA 23 N 1.44 0.57 -0.80 1.25 0.00 -1.31 0.19 119.26 120.60 3i1m h ALA 23 Ca 0.41 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 3i1m h ALA 23 Cb 0.17 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3i1m h ALA 23 CO -0.17 -0.40 0.43 0.87 0.00 0.00 0.00 179.25 179.97 3i1m h LYS 24 N 0.10 1.12 -0.63 0.00 1.57 0.12 -2.89 116.57 115.96 3i1m h LYS 24 Ca 0.32 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3i1m h LYS 24 Cb 0.51 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3i1m h LYS 24 CO -0.54 0.83 0.18 0.35 -0.57 0.00 0.00 179.45 179.70 3i1m h PHE 25 N 1.13 0.99 -0.26 -1.35 3.57 0.22 -1.97 116.94 119.27 3i1m h PHE 25 Ca 0.28 -0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3i1m h PHE 25 Cb 0.05 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3i1m h PHE 25 CO 0.01 0.80 -0.10 -0.39 -2.23 0.00 0.00 178.31 176.40 3i1m h VAL 26 N 0.93 1.29 -0.60 1.41 -1.51 -0.75 -2.31 116.25 114.72 3i1m h VAL 26 Ca 0.21 -1.15 0.08 0.00 -1.23 0.00 0.00 66.70 64.61 3i1m h VAL 26 Cb 0.28 1.51 -0.06 0.00 -2.13 0.00 0.00 31.29 30.89 3i1m h VAL 26 CO -0.01 0.36 0.26 0.78 -1.23 0.00 0.00 177.57 177.73 3i1m h ASN 27 N 0.25 0.32 -0.60 4.19 2.35 -1.42 1.08 115.58 121.75 3i1m h ASN 27 Ca 0.06 0.06 0.15 0.00 -0.55 0.00 0.00 56.30 56.02 3i1m h ASN 27 Cb 0.59 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3i1m h ASN 27 CO 0.03 0.20 0.42 0.40 -1.65 0.00 0.00 177.43 176.83 3i1m h ILE 28 N 0.48 0.76 0.00 2.81 1.08 -1.07 -2.27 117.51 119.29 3i1m h ILE 28 Ca 0.29 -0.05 -0.29 0.00 -0.39 0.00 0.00 64.86 64.42 3i1m h ILE 28 Cb 0.29 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 3i1m h ILE 28 CO -0.25 0.02 -2.04 -0.11 -0.69 0.00 0.00 178.15 175.09 3i1m n LEU 29 N -4.41 0.36 -4.50 1.44 0.00 0.24 -4.98 117.00 105.15 3i1m n LEU 29 Ca 0.11 0.17 -0.35 0.00 0.00 0.00 0.00 56.01 55.94 3i1m n LEU 29 Cb 0.57 0.31 0.09 0.00 0.00 0.00 0.00 43.42 44.40 3i1m n LEU 29 CO 0.36 0.38 0.16 0.80 0.00 0.00 0.00 177.39 179.09 3i1m n MET 30 N -2.81 0.15 -3.74 1.96 1.56 0.35 -5.03 117.12 109.56 3i1m n MET 30 Ca -0.23 0.10 -0.11 0.00 -0.27 0.00 0.00 57.70 57.19 3i1m n MET 30 Cb 1.04 -1.96 -0.07 0.00 2.15 0.00 0.00 33.22 34.39 3i1m n MET 30 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 3i1m s VAL 31 N -2.06 0.09 -0.79 1.12 0.11 -1.26 -4.87 120.40 112.74 3i1m s VAL 31 Ca 0.65 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3i1m s VAL 31 Cb -0.30 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.47 3i1m s VAL 31 CO 0.59 -0.41 0.00 0.47 -3.33 0.00 0.00 175.10 172.42 3i1m n ASP 32 N 0.26 -2.31 -3.56 3.54 8.00 -1.26 0.40 116.55 121.62 3i1m n ASP 32 Ca -0.17 0.23 -0.22 0.00 0.71 0.00 0.00 54.79 55.33 3i1m n ASP 32 Cb 0.61 -2.25 0.08 0.00 -0.02 0.00 0.00 41.12 39.54 3i1m n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1m n GLY 33 N -0.31 -0.50 3.08 0.44 0.00 -1.26 -4.95 105.19 101.69 3i1m n GLY 33 Ca -0.08 0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3i1m n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1m n LYS 34 N -4.77 3.27 -0.05 1.61 5.02 0.16 -4.87 118.16 118.53 3i1m n LYS 34 Ca -0.07 -4.51 -0.12 0.00 -2.02 0.00 0.00 58.31 51.58 3i1m n LYS 34 Cb 0.59 -2.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.08 3i1m n LYS 34 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i1m h LYS 35 N 5.85 0.26 -0.93 1.97 3.64 -1.92 -0.98 116.57 124.45 3i1m h LYS 35 Ca 0.18 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3i1m h LYS 35 Cb 0.77 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.46 3i1m h LYS 35 CO 1.00 0.57 -0.58 0.77 -2.27 0.00 0.00 179.45 178.94 3i1m h SER 36 N -0.07 -2.10 1.39 4.20 0.02 -2.00 0.15 113.55 115.15 3i1m h SER 36 Ca 0.03 0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3i1m h SER 36 Cb 0.48 0.93 -0.00 0.00 0.14 0.00 0.00 62.40 63.94 3i1m h SER 36 CO 0.01 -0.24 -0.06 0.71 -1.14 0.00 0.00 176.83 176.11 3i1m h THR 37 N -0.04 0.13 0.56 -2.27 1.35 -1.97 -3.21 112.91 107.46 3i1m h THR 37 Ca 0.15 -0.88 -0.03 0.00 -0.55 0.00 0.00 66.41 65.11 3i1m h THR 37 Cb 0.42 1.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.62 3i1m h THR 37 CO -0.89 0.06 -0.27 0.00 -0.25 0.00 0.00 175.52 174.17 3i1m h ALA 38 N 1.94 -0.83 -0.95 6.62 0.00 0.68 -2.99 119.26 123.74 3i1m h ALA 38 Ca -0.00 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.91 3i1m h ALA 38 Cb 0.77 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 3i1m h ALA 38 CO 0.01 -0.78 0.60 1.05 0.00 0.00 0.00 179.25 180.13 3i1m h GLU 39 N -1.08 0.69 -0.70 0.00 4.11 -1.36 0.25 114.58 116.48 3i1m h GLU 39 Ca -0.08 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.41 3i1m h GLU 39 Cb 0.58 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 3i1m h GLU 39 CO 0.13 0.46 0.46 0.77 0.07 0.00 0.00 179.01 180.89 3i1m h SER 40 N 0.71 0.50 0.79 3.06 0.02 -1.55 0.03 113.55 117.11 3i1m h SER 40 Ca 0.50 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3i1m h SER 40 Cb 0.83 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3i1m h SER 40 CO -0.26 0.29 -0.48 -0.38 -1.14 0.00 0.00 176.83 174.86 3i1m n ILE 41 N -4.49 0.21 -0.08 3.27 5.41 0.04 -3.13 119.36 120.59 3i1m n ILE 41 Ca 0.12 -0.15 -0.15 0.00 1.00 0.00 0.00 62.75 63.56 3i1m n ILE 41 Cb 0.36 -0.07 -0.10 0.00 -0.71 0.00 0.00 39.64 39.13 3i1m n ILE 41 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3i1m h VAL 42 N 0.00 1.00 -0.30 1.39 2.07 -0.60 -3.26 116.25 116.55 3i1m h VAL 42 Ca 0.00 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 3i1m h VAL 42 Cb 0.64 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 3i1m h VAL 42 CO 0.00 0.34 0.05 1.88 0.02 0.00 0.00 177.57 179.86 3i1m h TYR 43 N -1.00 0.53 -0.39 1.57 0.05 -1.45 0.63 116.97 116.91 3i1m h TYR 43 Ca -0.16 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 3i1m h TYR 43 Cb 0.98 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.55 3i1m h TYR 43 CO 0.11 0.58 0.18 1.03 -1.05 0.00 0.00 178.16 179.01 3i1m h SER 44 N 0.33 0.49 0.15 3.88 0.87 -1.74 1.08 113.55 118.60 3i1m h SER 44 Ca 0.09 -0.04 -0.26 0.00 -1.23 0.00 0.00 61.79 60.36 3i1m h SER 44 Cb 0.33 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3i1m h SER 44 CO 0.00 0.43 -1.04 0.00 -0.53 0.00 0.00 176.83 175.69 3i1m h ALA 45 N 1.65 0.19 0.00 6.23 0.00 -1.58 -2.44 119.26 123.32 3i1m h ALA 45 Ca 0.14 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3i1m h ALA 45 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i1m h ALA 45 CO -0.02 0.74 0.00 -0.11 0.00 0.00 0.00 179.25 179.86 3i1m n LEU 46 N -3.80 0.00 -0.09 0.00 7.94 0.21 -1.58 117.00 119.68 3i1m n LEU 46 Ca -0.10 0.14 -0.11 0.00 -1.11 0.00 0.00 56.01 54.83 3i1m n LEU 46 Cb 0.88 -0.14 -0.05 0.00 0.53 0.00 0.00 43.42 44.64 3i1m n LEU 46 CO 0.55 -0.03 -0.55 1.21 -1.11 0.00 0.00 177.39 177.46 3i1m n GLU 47 N -1.14 0.50 0.01 1.96 4.07 0.36 -2.81 120.64 123.59 3i1m n GLU 47 Ca 0.15 0.45 0.21 0.00 -0.06 0.00 0.00 57.16 57.91 3i1m n GLU 47 Cb 0.14 -1.64 0.71 0.00 -0.06 0.00 0.00 31.44 30.60 3i1m n GLU 47 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3i1m h THR 48 N -1.00 0.63 -0.11 6.31 1.35 -1.39 0.15 112.91 118.85 3i1m h THR 48 Ca -0.14 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.65 3i1m h THR 48 Cb 0.87 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 3i1m h THR 48 CO -0.08 0.00 -0.22 0.25 -0.25 0.00 0.00 175.52 175.22 3i1m h LEU 49 N 0.00 0.39 -0.19 3.87 7.12 -1.44 -1.77 115.31 123.28 3i1m h LEU 49 Ca 0.25 -0.56 0.04 0.00 0.13 0.00 0.00 57.88 57.74 3i1m h LEU 49 Cb 1.06 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 41.04 3i1m h LEU 49 CO -0.00 0.87 -0.05 0.00 -0.13 0.00 0.00 178.44 179.12 3i1m h ALA 50 N 0.53 0.12 0.38 1.25 0.00 -0.56 -1.73 119.26 119.25 3i1m h ALA 50 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i1m h ALA 50 Cb 0.80 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3i1m h ALA 50 CO 0.05 -0.48 -0.18 0.37 0.00 0.00 0.00 179.25 179.00 3i1m h GLN 51 N -0.01 -0.49 0.00 0.00 4.15 -1.42 0.19 115.11 117.53 3i1m h GLN 51 Ca 0.09 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3i1m h GLN 51 Cb 0.15 0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3i1m h GLN 51 CO -0.20 -0.18 0.21 -0.09 -1.93 0.00 0.00 178.83 176.64 3i1m h ARG 52 N -0.94 0.00 0.00 1.69 2.43 -1.25 0.13 114.38 116.43 3i1m h ARG 52 Ca -0.05 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 58.82 3i1m h ARG 52 Cb 0.54 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 3i1m h ARG 52 CO 0.09 0.00 -2.11 -1.13 -1.51 0.00 0.00 179.97 175.30 3i1m n SER 53 N -2.35 1.97 0.00 -3.80 3.41 -0.66 -4.95 113.62 107.25 3i1m n SER 53 Ca -0.01 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3i1m n SER 53 Cb 0.25 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3i1m n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i1m n GLY 54 N 2.36 1.19 3.34 5.00 0.00 0.67 -4.84 105.19 112.90 3i1m n GLY 54 Ca -0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3i1m n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1m n LYS 55 N -1.32 1.29 0.00 1.61 4.76 -1.26 -4.87 118.16 118.37 3i1m n LYS 55 Ca 0.00 -1.96 0.00 0.00 -2.87 0.00 0.00 58.31 53.48 3i1m n LYS 55 Cb 0.00 -3.21 0.00 0.00 -1.84 0.00 0.00 35.03 29.98 3i1m n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1m n SER 56 N 10.76 -1.56 0.00 4.39 2.88 -1.26 -4.24 113.62 124.60 3i1m n SER 56 Ca 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 3i1m n SER 56 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3i1m n SER 56 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3i1m n GLU 57 N 0.00 0.00 0.12 -1.46 4.07 -1.26 -4.65 120.64 117.46 3i1m n GLU 57 Ca 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.95 3i1m n GLU 57 Cb 0.00 -0.18 -0.08 0.00 -0.06 0.00 0.00 31.44 31.12 3i1m n GLU 57 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3i1m h LEU 58 N 0.00 -1.26 -1.01 4.31 3.38 -1.98 -2.71 115.31 116.04 3i1m h LEU 58 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3i1m h LEU 58 Cb 0.20 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3i1m h LEU 58 CO 0.00 -0.50 0.00 -1.84 0.09 0.00 0.00 178.44 176.19 3i1m n GLU 59 N -5.47 1.66 -0.10 1.13 0.28 -1.26 -3.57 120.64 113.31 3i1m n GLU 59 Ca -0.07 -1.00 -0.08 0.00 -0.16 0.00 0.00 57.16 55.84 3i1m n GLU 59 Cb 0.38 -1.37 0.07 0.00 1.43 0.00 0.00 31.44 31.95 3i1m n GLU 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3i1m h ALA 60 N 3.95 0.84 0.68 -1.84 0.00 -1.65 -1.10 119.26 120.13 3i1m h ALA 60 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 3i1m h ALA 60 Cb 0.43 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i1m h ALA 60 CO 0.00 0.64 -0.33 0.35 0.00 0.00 0.00 179.25 179.91 3i1m h PHE 61 N 0.71 -0.85 0.00 0.00 3.04 -1.67 -3.26 116.94 114.91 3i1m h PHE 61 Ca 0.10 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3i1m h PHE 61 Cb 0.75 0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.54 3i1m h PHE 61 CO 0.04 -0.53 0.00 -1.91 -2.02 0.00 0.00 178.31 173.89 3i1m n GLU 62 N -5.30 0.00 -0.09 1.11 0.00 -1.18 -0.72 120.64 114.46 3i1m n GLU 62 Ca -0.11 0.93 -0.04 0.00 0.00 0.00 0.00 57.16 57.94 3i1m n GLU 62 Cb 0.36 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.28 3i1m n GLU 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3i1m h VAL 63 N 0.00 0.00 -0.60 6.31 2.07 -1.36 0.40 116.25 123.07 3i1m h VAL 63 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 3i1m h VAL 63 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 3i1m h VAL 63 CO 0.00 0.00 0.47 0.00 0.02 0.00 0.00 177.57 178.06 3i1m h ALA 64 N -0.69 2.49 0.00 1.67 0.00 -1.57 0.72 119.26 121.88 3i1m h ALA 64 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3i1m h ALA 64 Cb 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i1m h ALA 64 CO -0.24 -0.78 -0.60 1.25 0.00 0.00 0.00 179.25 178.87 3i1m h LEU 65 N 0.00 0.00 0.00 0.00 5.85 0.18 -3.11 115.31 118.24 3i1m h LEU 65 Ca 0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.00 3i1m h LEU 65 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3i1m h LEU 65 CO -0.00 0.51 0.00 1.21 -0.34 0.00 0.00 178.44 179.82 3i1m n GLU 66 N -3.19 0.37 -0.03 1.25 2.13 0.10 -2.65 120.64 118.62 3i1m n GLU 66 Ca 0.01 0.05 -0.19 0.00 0.66 0.00 0.00 57.16 57.69 3i1m n GLU 66 Cb 0.75 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.82 3i1m n GLU 66 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3i1m h ASN 67 N 0.00 0.22 -0.39 4.31 2.35 -1.48 -3.37 115.58 117.22 3i1m h ASN 67 Ca 0.00 -0.85 -0.09 0.00 -0.55 0.00 0.00 56.30 54.81 3i1m h ASN 67 Cb 0.22 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3i1m h ASN 67 CO 0.00 1.37 -0.09 0.58 -1.65 0.00 0.00 177.43 177.64 3i1m h VAL 68 N -0.65 1.28 -0.11 2.81 2.07 -1.66 -3.45 116.25 116.53 3i1m h VAL 68 Ca -0.19 -1.18 -0.12 0.00 0.82 0.00 0.00 66.70 66.03 3i1m h VAL 68 Cb 1.43 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3i1m h VAL 68 CO 0.01 0.39 0.11 -1.14 0.02 0.00 0.00 177.57 176.96 3i1m n ARG 69 N -4.35 0.00 -2.64 1.57 3.00 -1.09 -4.66 116.66 108.50 3i1m n ARG 69 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.61 3i1m n ARG 69 Cb 0.36 -0.20 0.03 0.00 0.00 0.00 0.00 32.46 32.65 3i1m n ARG 69 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3i1m s PRO 70 N 0.49 2.69 -0.02 -0.14 0.04 -1.26 -5.02 135.00 131.78 3i1m s PRO 70 Ca 0.15 -0.52 -0.00 0.00 0.04 0.00 0.00 61.00 60.67 3i1m s PRO 70 Cb -0.20 -2.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 3i1m s PRO 70 CO 0.11 -0.67 -0.02 2.41 0.04 0.00 0.00 177.00 178.87 3i1m n THR 71 N -2.39 0.09 -4.11 1.26 -1.04 -1.26 -4.91 114.28 101.92 3i1m n THR 71 Ca 0.06 -0.03 -0.08 0.00 -2.04 0.00 0.00 64.05 61.96 3i1m n THR 71 Cb 0.59 -0.77 -0.10 0.00 -1.82 0.00 0.00 70.33 68.23 3i1m n THR 71 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1m s VAL 72 N -2.03 0.25 0.00 12.58 -7.23 -1.26 -2.73 120.40 119.98 3i1m s VAL 72 Ca -0.02 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3i1m s VAL 72 Cb 0.01 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.34 3i1m s VAL 72 CO 0.03 -0.91 0.00 -1.84 -0.31 0.00 0.00 175.10 172.07 3i1m n GLU 73 N 0.07 0.00 -4.22 4.82 0.28 -0.44 -4.41 120.64 116.74 3i1m n GLU 73 Ca -0.13 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.71 3i1m n GLU 73 Cb 0.61 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.34 3i1m n GLU 73 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3i1m s VAL 74 N -0.46 0.50 -0.33 3.84 -7.23 -1.26 -1.37 120.40 114.09 3i1m s VAL 74 Ca 0.00 -0.28 0.03 0.00 -1.81 0.00 0.00 61.98 59.92 3i1m s VAL 74 Cb 0.00 -0.43 0.10 0.00 0.56 0.00 0.00 36.38 36.61 3i1m s VAL 74 CO 0.00 0.13 0.04 -0.75 -0.31 0.00 0.00 175.10 174.22 3i1m s LYS 75 N -0.17 1.45 0.37 4.82 2.20 0.90 -4.90 119.74 124.40 3i1m s LYS 75 Ca 0.02 -1.76 -0.26 0.00 -0.36 0.00 0.00 55.97 53.61 3i1m s LYS 75 Cb -0.03 -3.07 -0.12 0.00 -1.51 0.00 0.00 37.83 33.10 3i1m s LYS 75 CO -0.00 -0.92 0.99 0.43 -0.36 0.00 0.00 175.35 175.49 3i1m n SER 76 N 4.32 1.19 -0.07 1.43 7.64 -1.26 -2.71 113.62 124.16 3i1m n SER 76 Ca 0.02 1.09 -0.11 0.00 1.01 0.00 0.00 58.87 60.88 3i1m n SER 76 Cb 0.42 -1.32 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 3i1m n SER 76 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i1m n ARG 77 N 0.43 0.36 -3.48 1.43 5.12 -0.84 -4.83 116.66 114.84 3i1m n ARG 77 Ca 0.09 0.09 -0.28 0.00 -1.93 0.00 0.00 57.85 55.82 3i1m n ARG 77 Cb 0.36 -1.25 0.02 0.00 -1.16 0.00 0.00 32.46 30.43 3i1m n ARG 77 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i1m n ARG 78 N -3.06 -1.54 0.00 5.56 5.12 -0.19 -4.95 116.66 117.61 3i1m n ARG 78 Ca -0.26 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 3i1m n ARG 78 Cb 0.76 -1.89 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 3i1m n ARG 78 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i1m n VAL 79 N -1.41 0.00 -3.97 1.55 0.31 -0.27 -4.90 118.33 109.63 3i1m n VAL 79 Ca -0.20 0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 3i1m n VAL 79 Cb 0.62 -0.53 -0.15 0.00 -0.91 0.00 0.00 33.84 32.87 3i1m n VAL 79 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3i1m s GLY 80 N -1.13 1.63 -0.05 2.92 0.00 -1.26 -4.79 107.32 104.65 3i1m s GLY 80 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.70 3i1m s GLY 80 CO 0.00 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.67 3i1m n GLY 81 N 4.45 0.04 2.93 0.20 0.00 -1.26 -4.87 105.19 106.69 3i1m n GLY 81 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3i1m n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1m s SER 82 N -1.31 -0.07 0.37 1.61 0.01 -1.26 -5.04 113.70 108.01 3i1m s SER 82 Ca 0.00 0.17 0.18 0.00 1.31 0.00 0.00 55.95 57.61 3i1m s SER 82 Cb 0.00 0.15 0.70 0.00 0.21 0.00 0.00 66.02 67.08 3i1m s SER 82 CO 0.00 -0.05 1.75 0.74 0.41 0.00 0.00 173.24 176.08 3i1m h THR 83 N 5.28 0.94 -6.64 1.44 2.02 -1.92 -0.71 112.91 113.32 3i1m h THR 83 Ca -0.29 -1.50 -0.54 0.00 0.77 0.00 0.00 66.41 64.86 3i1m h THR 83 Cb 1.19 1.89 -0.30 0.00 -1.74 0.00 0.00 68.15 69.20 3i1m h THR 83 CO 0.46 0.37 -0.79 -1.22 0.37 0.00 0.00 175.52 174.71 3i1m n TYR 84 N -3.60 -1.01 -2.39 3.16 4.01 -1.26 -1.02 117.16 115.05 3i1m n TYR 84 Ca -0.01 0.57 -0.43 0.00 -0.16 0.00 0.00 57.90 57.88 3i1m n TYR 84 Cb 0.49 -1.79 -0.02 0.00 -0.31 0.00 0.00 39.34 37.71 3i1m n TYR 84 CO 0.00 0.00 0.00 1.14 -0.46 0.00 0.00 176.86 177.54 3i1m s GLN 85 N -6.44 4.25 -0.05 -0.72 -2.07 -1.26 -4.36 119.66 109.00 3i1m s GLN 85 Ca 0.54 1.72 -0.16 0.00 -1.82 0.00 0.00 55.36 55.64 3i1m s GLN 85 Cb -0.32 -3.75 -0.05 0.00 -1.09 0.00 0.00 33.01 27.81 3i1m s GLN 85 CO 0.87 -0.68 0.44 0.08 -1.32 0.00 0.00 175.29 174.68 3i1m s VAL 86 N 3.32 5.08 0.05 3.63 1.01 -1.10 -4.86 120.40 127.53 3i1m s VAL 86 Ca 0.57 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 3i1m s VAL 86 Cb -0.23 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3i1m s VAL 86 CO 0.17 0.48 0.93 -2.16 0.00 0.00 0.00 175.10 174.52 3i1m s PRO 87 N -0.38 4.61 0.35 2.72 0.04 -1.26 -0.07 135.00 141.00 3i1m s PRO 87 Ca 0.24 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.70 3i1m s PRO 87 Cb -0.16 -3.41 -0.07 0.00 0.04 0.00 0.00 34.50 30.90 3i1m s PRO 87 CO 0.12 0.11 0.04 0.54 0.04 0.00 0.00 177.00 177.85 3i1m s VAL 88 N 0.43 1.43 -0.18 -0.36 0.11 -0.47 -4.86 120.40 116.50 3i1m s VAL 88 Ca 0.47 -2.00 -0.14 0.00 -2.93 0.00 0.00 61.98 57.38 3i1m s VAL 88 Cb -0.22 -2.85 -0.05 0.00 -1.53 0.00 0.00 36.38 31.74 3i1m s VAL 88 CO 0.28 -0.01 0.29 -1.61 -3.33 0.00 0.00 175.10 170.72 3i1m s GLU 89 N -3.84 4.22 0.43 1.54 8.01 -1.26 -1.33 118.70 126.47 3i1m s GLU 89 Ca 0.36 0.06 -0.23 0.00 0.01 0.00 0.00 54.97 55.17 3i1m s GLU 89 Cb 0.09 -3.46 -0.08 0.00 -4.31 0.00 0.00 34.13 26.37 3i1m s GLU 89 CO 0.16 0.17 1.08 0.54 0.01 0.00 0.00 175.26 177.23 3i1m s VAL 90 N 0.68 3.55 0.23 2.63 0.11 -1.10 -4.93 120.40 121.56 3i1m s VAL 90 Ca 0.16 1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 60.19 3i1m s VAL 90 Cb -0.13 -3.57 -0.08 0.00 -1.53 0.00 0.00 36.38 31.06 3i1m s VAL 90 CO 0.04 -0.03 0.67 -0.13 -3.33 0.00 0.00 175.10 172.32 3i1m s ARG 91 N -2.66 4.09 -0.96 1.54 0.52 -1.26 -4.91 118.95 115.31 3i1m s ARG 91 Ca 0.61 0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 56.32 3i1m s ARG 91 Cb -0.23 -2.76 -0.10 0.00 0.52 0.00 0.00 34.95 32.38 3i1m s ARG 91 CO 0.29 0.35 2.04 -2.30 0.02 0.00 0.00 175.30 175.69 3i1m n PRO 92 N 0.39 1.91 0.00 3.54 -0.02 -1.26 -1.36 135.00 138.20 3i1m n PRO 92 Ca -0.01 -1.99 0.00 0.00 -2.02 0.00 0.00 63.50 59.48 3i1m n PRO 92 Cb 0.52 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.04 3i1m n PRO 92 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3i1m n VAL 93 N 5.57 0.00 -0.02 -1.45 0.24 -1.26 -4.93 118.33 116.49 3i1m n VAL 93 Ca 0.50 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.77 3i1m n VAL 93 Cb 0.37 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.72 3i1m n VAL 93 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3i1m h ARG 94 N 0.00 -0.07 0.00 7.34 2.43 -1.61 -3.37 114.38 119.09 3i1m h ARG 94 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1m h ARG 94 Cb 0.00 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3i1m h ARG 94 CO 0.00 0.08 0.00 -2.13 -1.51 0.00 0.00 179.97 176.41 3i1m n ARG 95 N -4.81 0.00 -0.15 0.20 0.63 -0.87 0.14 116.66 111.80 3i1m n ARG 95 Ca -0.02 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.87 3i1m n ARG 95 Cb 0.09 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.97 3i1m n ARG 95 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3i1m n ASN 96 N -0.04 -0.37 -0.07 6.15 6.94 -1.26 -1.41 115.26 125.20 3i1m n ASN 96 Ca 0.00 0.64 -0.10 0.00 -0.02 0.00 0.00 54.58 55.10 3i1m n ASN 96 Cb 0.00 -0.09 -0.04 0.00 -2.36 0.00 0.00 39.78 37.29 3i1m n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i1m h ALA 97 N 0.16 -0.40 0.05 -2.53 0.00 0.99 1.06 119.26 118.58 3i1m h ALA 97 Ca 0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i1m h ALA 97 Cb 0.14 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3i1m h ALA 97 CO -0.33 -0.83 -0.39 -0.07 0.00 0.00 0.00 179.25 177.64 3i1m h LEU 98 N -0.36 -1.17 -1.00 0.00 3.38 -0.77 0.53 115.31 115.91 3i1m h LEU 98 Ca 0.12 0.13 0.35 0.00 0.09 0.00 0.00 57.88 58.57 3i1m h LEU 98 Cb 0.58 0.44 -0.16 0.00 0.09 0.00 0.00 40.66 41.61 3i1m h LEU 98 CO -0.48 -0.39 0.55 0.00 0.09 0.00 0.00 178.44 178.20 3i1m h ALA 99 N -0.78 1.99 -0.06 1.53 0.00 -0.31 0.44 119.26 122.07 3i1m h ALA 99 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3i1m h ALA 99 Cb 0.54 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i1m h ALA 99 CO -0.23 -0.68 -0.05 0.52 0.00 0.00 0.00 179.25 178.80 3i1m h MET 100 N 0.22 0.15 -0.69 0.00 2.86 0.22 -1.42 114.93 116.26 3i1m h MET 100 Ca 0.76 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 58.36 3i1m h MET 100 Cb 1.83 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.44 3i1m h MET 100 CO -0.66 0.57 0.43 -0.09 1.06 0.00 0.00 176.91 178.22 3i1m h ARG 101 N -0.27 0.82 -0.42 1.72 2.43 0.39 0.42 114.38 119.47 3i1m h ARG 101 Ca 0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3i1m h ARG 101 Cb 0.53 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3i1m h ARG 101 CO 0.01 0.54 0.18 -1.49 -1.51 0.00 0.00 179.97 177.70 3i1m h TRP 102 N 0.84 0.63 0.09 2.20 6.55 -0.36 0.81 115.95 126.70 3i1m h TRP 102 Ca 0.28 -0.04 0.02 0.00 0.95 0.00 0.00 58.89 60.10 3i1m h TRP 102 Cb 0.03 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.11 3i1m h TRP 102 CO -0.04 0.54 -0.22 0.82 -1.05 0.00 0.00 178.44 178.49 3i1m h ILE 103 N 0.54 0.51 -0.29 1.49 2.04 -0.53 -0.10 117.51 121.17 3i1m h ILE 103 Ca 0.14 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 3i1m h ILE 103 Cb 0.16 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3i1m h ILE 103 CO -0.01 0.00 -0.26 0.58 0.00 0.00 0.00 178.15 178.46 3i1m h VAL 104 N -0.39 1.27 -0.00 1.67 2.07 0.01 -2.93 116.25 117.95 3i1m h VAL 104 Ca 0.03 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.23 3i1m h VAL 104 Cb 0.42 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3i1m h VAL 104 CO -0.14 0.43 -0.35 1.21 0.02 0.00 0.00 177.57 178.73 3i1m n GLU 105 N -4.11 0.30 -0.06 1.57 0.00 0.28 -2.43 120.64 116.19 3i1m n GLU 105 Ca -0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 57.16 56.87 3i1m n GLU 105 Cb 0.42 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.23 3i1m n GLU 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1m n ALA 106 N -1.21 1.38 0.18 4.31 0.00 -0.07 -3.74 120.51 121.36 3i1m n ALA 106 Ca 0.08 -1.00 0.04 0.00 0.00 0.00 0.00 53.44 52.57 3i1m n ALA 106 Cb 0.33 -0.45 0.31 0.00 0.00 0.00 0.00 19.45 19.64 3i1m n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m h ALA 107 N 0.65 1.03 -0.15 0.00 0.00 -1.56 -1.68 119.26 117.55 3i1m h ALA 107 Ca -0.46 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.01 3i1m h ALA 107 Cb 2.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 3i1m h ALA 107 CO 0.03 0.53 -0.15 -0.09 0.00 0.00 0.00 179.25 179.57 3i1m h ARG 108 N 0.00 0.25 -0.36 0.00 9.65 -1.62 -2.31 114.38 119.98 3i1m h ARG 108 Ca -0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3i1m h ARG 108 Cb 0.91 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 3i1m h ARG 108 CO 0.06 0.40 0.00 1.63 2.80 0.00 0.00 179.97 184.86 3i1m n LYS 109 N -4.25 2.10 -2.58 0.20 4.76 -0.68 -4.91 118.16 112.79 3i1m n LYS 109 Ca -0.01 -1.68 -0.30 0.00 -2.87 0.00 0.00 58.31 53.45 3i1m n LYS 109 Cb 0.28 -1.42 -0.02 0.00 -1.84 0.00 0.00 35.03 32.04 3i1m n LYS 109 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3i1m s ARG 110 N -1.52 3.71 -0.69 1.97 3.52 -0.87 -5.03 118.95 120.04 3i1m s ARG 110 Ca 0.34 0.51 0.05 0.00 -0.13 0.00 0.00 55.73 56.50 3i1m s ARG 110 Cb 0.19 -2.30 0.28 0.00 -1.56 0.00 0.00 34.95 31.55 3i1m s ARG 110 CO 0.26 -0.20 0.91 0.41 -0.81 0.00 0.00 175.30 175.87 3i1m n GLY 111 N -1.81 5.08 0.00 8.12 0.00 -1.26 -4.95 105.19 110.37 3i1m n GLY 111 Ca 0.03 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.29 3i1m n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1m n ASP 112 N 0.63 0.00 0.00 1.61 10.43 -1.26 -5.14 116.55 122.81 3i1m n ASP 112 Ca 0.30 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.66 3i1m n ASP 112 Cb 0.39 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.35 3i1m n ASP 112 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1m n LYS 113 N 0.00 0.00 -2.54 -1.24 4.76 -1.26 -5.06 118.16 112.82 3i1m n LYS 113 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 3i1m n LYS 113 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 3i1m n LYS 113 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i1m s SER 114 N 1.00 6.41 0.49 4.39 0.15 -1.26 -4.88 113.70 120.00 3i1m s SER 114 Ca 0.00 1.86 0.13 0.00 0.70 0.00 0.00 55.95 58.64 3i1m s SER 114 Cb 0.00 -2.55 1.14 0.00 -1.71 0.00 0.00 66.02 62.90 3i1m s SER 114 CO 0.00 -0.73 2.12 -0.03 1.20 0.00 0.00 173.24 175.80 3i1m h MET 115 N 1.48 0.17 0.72 5.44 4.05 -1.96 0.24 114.93 125.08 3i1m h MET 115 Ca -0.49 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 58.88 3i1m h MET 115 Cb 1.21 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 31.98 3i1m h MET 115 CO 0.59 0.11 -0.35 0.00 0.23 0.00 0.00 176.91 177.50 3i1m h ALA 116 N 1.92 -0.97 0.21 0.39 0.00 -1.92 0.26 119.26 119.15 3i1m h ALA 116 Ca 0.05 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3i1m h ALA 116 Cb -0.02 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3i1m h ALA 116 CO -0.01 -1.04 -0.28 -0.07 0.00 0.00 0.00 179.25 177.84 3i1m h LEU 117 N -0.97 -0.78 -1.59 0.00 3.38 -1.78 -0.94 115.31 112.63 3i1m h LEU 117 Ca -0.10 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.13 3i1m h LEU 117 Cb 0.74 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 3i1m h LEU 117 CO 0.16 -0.39 0.56 0.03 0.09 0.00 0.00 178.44 178.89 3i1m h ARG 118 N -0.55 0.36 0.51 1.13 3.08 -0.48 0.03 114.38 118.46 3i1m h ARG 118 Ca 0.01 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3i1m h ARG 118 Cb 0.54 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.51 3i1m h ARG 118 CO -0.11 0.24 -0.25 1.25 -1.07 0.00 0.00 179.97 180.03 3i1m h LEU 119 N 0.37 -0.58 -1.95 3.04 6.46 0.36 -2.91 115.31 120.09 3i1m h LEU 119 Ca 0.42 0.02 0.24 0.00 -0.12 0.00 0.00 57.88 58.44 3i1m h LEU 119 Cb 1.07 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 41.12 3i1m h LEU 119 CO -0.14 -0.27 0.60 0.00 -0.62 0.00 0.00 178.44 178.02 3i1m h ALA 120 N -1.39 2.74 0.00 1.25 0.00 -0.34 0.55 119.26 122.07 3i1m h ALA 120 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i1m h ALA 120 Cb 0.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i1m h ALA 120 CO 0.12 -0.99 -0.08 0.09 0.00 0.00 0.00 179.25 178.39 3i1m n ASN 121 N -4.31 0.40 -0.09 0.00 5.03 -0.08 -0.56 115.26 115.66 3i1m n ASN 121 Ca 0.17 0.45 -0.10 0.00 0.87 0.00 0.00 54.58 55.98 3i1m n ASN 121 Cb 0.89 -0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 39.10 3i1m n ASN 121 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3i1m n GLU 122 N -1.84 0.50 -0.32 3.52 -0.58 0.12 -3.29 120.64 118.75 3i1m n GLU 122 Ca 0.06 0.38 -0.08 0.00 -0.42 0.00 0.00 57.16 57.10 3i1m n GLU 122 Cb 0.38 -1.58 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 3i1m n GLU 122 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3i1m n LEU 123 N -4.51 -0.79 0.25 -4.62 -0.00 0.15 0.33 117.00 107.80 3i1m n LEU 123 Ca -0.15 1.36 0.14 0.00 -0.00 0.00 0.00 56.01 57.36 3i1m n LEU 123 Cb 0.45 -0.18 0.47 0.00 -0.00 0.00 0.00 43.42 44.16 3i1m n LEU 123 CO 0.15 -1.11 0.90 -1.28 -0.00 0.00 0.00 177.39 176.04 3i1m h SER 124 N 0.00 0.00 0.60 1.96 0.87 -1.04 -2.83 113.55 113.10 3i1m h SER 124 Ca 0.13 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.53 3i1m h SER 124 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3i1m h SER 124 CO -0.72 0.04 -0.74 -0.78 -0.53 0.00 0.00 176.83 174.10 3i1m h ASP 125 N 0.00 0.14 0.78 6.23 -0.00 -0.11 -2.95 116.42 120.50 3i1m h ASP 125 Ca -0.00 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.03 56.82 3i1m h ASP 125 Cb 0.72 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 40.00 3i1m h ASP 125 CO 0.01 0.82 -0.52 0.00 -0.00 0.00 0.00 179.24 179.55 3i1m h ALA 126 N 1.17 0.94 -0.82 -0.78 0.00 -0.32 -2.95 119.26 116.50 3i1m h ALA 126 Ca -0.02 -0.48 0.20 0.00 0.00 0.00 0.00 54.91 54.62 3i1m h ALA 126 Cb 1.30 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 3i1m h ALA 126 CO 0.11 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.21 3i1m h ALA 127 N 1.48 1.12 -0.92 0.00 0.00 -1.43 0.85 119.26 120.36 3i1m h ALA 127 Ca -0.01 0.21 -0.64 0.00 0.00 0.00 0.00 54.91 54.47 3i1m h ALA 127 Cb 1.05 0.29 -0.33 0.00 0.00 0.00 0.00 17.79 18.81 3i1m h ALA 127 CO 0.07 -0.41 0.36 -0.85 0.00 0.00 0.00 179.25 178.42 3i1m n GLU 128 N -5.21 2.96 -0.12 0.00 0.28 -1.14 -4.87 120.64 112.53 3i1m n GLU 128 Ca 0.18 -3.55 0.00 0.00 -0.16 0.00 0.00 57.16 53.63 3i1m n GLU 128 Cb 0.58 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.17 3i1m n GLU 128 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 3i1m n ASN 129 N -0.86 0.00 -0.43 -1.84 6.94 0.30 -4.83 115.26 114.54 3i1m n ASN 129 Ca 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 55.12 3i1m n ASN 129 Cb 0.76 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.18 3i1m n ASN 129 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3i1m n LYS 130 N 0.34 0.00 -0.20 -3.83 2.85 -1.20 -5.01 118.16 111.11 3i1m n LYS 130 Ca 0.00 -0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 3i1m n LYS 130 Cb 0.00 0.07 0.00 0.00 -0.65 0.00 0.00 35.03 34.45 3i1m n LYS 130 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i1m n GLY 131 N 0.00 2.08 0.18 2.58 0.00 -1.26 -5.00 105.19 103.77 3i1m n GLY 131 Ca -0.03 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.82 3i1m n GLY 131 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i1m h THR 132 N 0.01 0.68 0.13 2.61 2.02 -1.97 -3.17 112.91 113.21 3i1m h THR 132 Ca 0.00 -0.82 0.02 0.00 0.77 0.00 0.00 66.41 66.37 3i1m h THR 132 Cb 0.00 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3i1m h THR 132 CO 0.00 0.15 -0.49 0.00 0.37 0.00 0.00 175.52 175.55 3i1m h ALA 133 N -0.37 -0.90 -0.50 6.16 0.00 -1.94 -0.78 119.26 120.94 3i1m h ALA 133 Ca -0.04 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.92 3i1m h ALA 133 Cb 0.51 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3i1m h ALA 133 CO 0.06 -1.07 0.41 -0.39 0.00 0.00 0.00 179.25 178.26 3i1m h VAL 134 N -0.72 0.58 0.00 0.00 -1.51 -1.92 0.79 116.25 113.47 3i1m h VAL 134 Ca 0.01 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 3i1m h VAL 134 Cb 0.74 0.70 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 3i1m h VAL 134 CO -0.27 0.00 -0.35 0.50 -1.23 0.00 0.00 177.57 176.23 3i1m h LYS 135 N 0.00 0.00 0.00 5.19 1.63 -1.13 -1.64 116.57 120.62 3i1m h LYS 135 Ca 0.24 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.01 3i1m h LYS 135 Cb 1.06 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 3i1m h LYS 135 CO -0.00 0.35 -0.11 -0.22 -3.45 0.00 0.00 179.45 176.02 3i1m h LYS 136 N 0.00 0.00 -0.14 1.90 1.63 0.11 0.38 116.57 120.45 3i1m h LYS 136 Ca -0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.66 3i1m h LYS 136 Cb 0.82 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 3i1m h LYS 136 CO 0.05 0.11 -0.51 -0.09 -3.45 0.00 0.00 179.45 175.56 3i1m h ARG 137 N 0.00 0.38 -1.91 1.90 2.43 -1.25 -2.12 114.38 113.81 3i1m h ARG 137 Ca -0.00 -0.22 -0.41 0.00 -0.81 0.00 0.00 59.98 58.54 3i1m h ARG 137 Cb 0.21 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 29.63 3i1m h ARG 137 CO 0.01 0.80 0.28 0.39 -1.51 0.00 0.00 179.97 179.94 3i1m n GLU 138 N -3.96 2.20 0.00 0.20 -0.58 0.13 -2.79 120.64 115.85 3i1m n GLU 138 Ca -0.02 -1.96 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 3i1m n GLU 138 Cb 0.56 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3i1m n GLU 138 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3i1m n ASP 139 N 1.02 0.00 -0.08 1.62 10.43 -1.09 -4.78 116.55 123.66 3i1m n ASP 139 Ca 0.43 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.65 3i1m n ASP 139 Cb 0.61 0.32 -0.05 0.00 1.84 0.00 0.00 41.12 43.84 3i1m n ASP 139 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3i1m h VAL 140 N 0.00 1.29 0.00 2.53 2.07 -1.46 0.17 116.25 120.85 3i1m h VAL 140 Ca 0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3i1m h VAL 140 Cb 0.00 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3i1m h VAL 140 CO 0.00 0.53 0.00 1.41 0.02 0.00 0.00 177.57 179.53 3i1m n HIS 141 N -4.11 0.85 0.08 1.57 8.25 -1.12 -1.65 115.22 119.09 3i1m n HIS 141 Ca -0.05 0.29 -0.22 0.00 -0.26 0.00 0.00 57.72 57.49 3i1m n HIS 141 Cb 0.58 -0.97 -0.15 0.00 1.12 0.00 0.00 29.99 30.57 3i1m n HIS 141 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1m h ARG 142 N 0.00 0.37 -0.13 -0.41 2.47 -1.65 -3.32 114.38 111.72 3i1m h ARG 142 Ca 0.00 -0.64 -0.12 0.00 -1.26 0.00 0.00 59.98 57.96 3i1m h ARG 142 Cb 0.54 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 3i1m h ARG 142 CO 0.00 1.31 -0.44 1.98 0.56 0.00 0.00 179.97 183.37 3i1m h MET 143 N -0.17 0.30 0.00 0.04 4.05 -0.57 -3.37 114.93 115.21 3i1m h MET 143 Ca -0.21 -0.15 -0.21 0.00 -0.28 0.00 0.00 59.70 58.84 3i1m h MET 143 Cb 1.85 0.00 0.08 0.00 -0.80 0.00 0.00 31.60 32.74 3i1m h MET 143 CO 0.18 0.69 0.20 0.00 0.23 0.00 0.00 176.91 178.21 3i1m n ALA 144 N -2.48 -0.73 -1.56 0.39 0.00 -0.66 -2.52 120.51 112.95 3i1m n ALA 144 Ca -0.02 -0.84 -0.15 0.00 0.00 0.00 0.00 53.44 52.44 3i1m n ALA 144 Cb 0.51 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 3i1m n ALA 144 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1m n GLU 145 N -2.35 -1.42 0.09 0.00 2.13 -1.25 -4.32 120.64 113.51 3i1m n GLU 145 Ca 0.08 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.75 3i1m n GLU 145 Cb 0.28 -5.17 0.00 0.00 0.27 0.00 0.00 31.44 26.82 3i1m n GLU 145 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1m n ALA 146 N 0.30 1.42 0.76 4.31 0.00 -1.26 -4.65 120.51 121.40 3i1m n ALA 146 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.33 3i1m n ALA 146 Cb 0.50 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.20 3i1m n ALA 146 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1m n ASN 147 N -2.94 0.00 0.13 0.00 5.03 -1.05 -3.61 115.26 112.82 3i1m n ASN 147 Ca 0.00 -0.51 0.19 0.00 0.87 0.00 0.00 54.58 55.14 3i1m n ASN 147 Cb 0.00 0.00 0.77 0.00 -1.02 0.00 0.00 39.78 39.53 3i1m n ASN 147 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3i1m h LYS 148 N 0.00 0.00 0.00 3.52 3.64 -1.82 0.57 116.57 122.48 3i1m h LYS 148 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1m h LYS 148 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i1m h LYS 148 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 3i1m n ALA 149 N -2.33 1.46 -1.38 5.00 0.00 -1.24 -2.46 120.51 119.56 3i1m n ALA 149 Ca 0.05 -0.03 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 3i1m n ALA 149 Cb 0.51 -1.08 0.14 0.00 0.00 0.00 0.00 19.45 19.02 3i1m n ALA 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i1m n PHE 150 N -1.25 2.72 0.66 0.00 3.01 0.19 -5.17 117.46 117.62 3i1m n PHE 150 Ca 0.03 -2.22 0.05 0.00 1.01 0.00 0.00 57.45 56.31 3i1m n PHE 150 Cb 0.04 -0.97 0.31 0.00 -0.01 0.00 0.00 39.48 38.85 3i1m n PHE 150 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77