#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfi n VAL 4 N 0.00-11.76 -1.85 1.69 0.31 -1.25 -4.89 118.33 100.57 1kfi n VAL 4 Ca 0.00 2.43 -0.42 0.00 -0.01 0.00 0.00 64.34 66.34 1kfi n VAL 4 Cb 0.00 -6.24 -0.03 0.00 -0.91 0.00 0.00 33.84 26.66 1kfi n VAL 4 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1kfi s ILE 5 N -0.64 2.40 0.94 2.52 1.01 0.48 -4.91 121.20 123.01 1kfi s ILE 5 Ca -0.25 0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.57 1kfi s ILE 5 Cb 0.02 -3.18 0.15 0.00 0.01 0.00 0.00 42.46 39.46 1kfi s ILE 5 CO 0.71 0.02 1.09 -2.84 0.00 0.00 0.00 174.94 173.92 1kfi s PRO 6 N 1.21 0.90 0.84 2.79 0.02 -1.26 -1.18 135.00 138.32 1kfi s PRO 6 Ca 0.72 0.67 -0.14 0.00 0.02 0.00 0.00 61.00 62.27 1kfi s PRO 6 Cb -0.46 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.32 1kfi s PRO 6 CO 0.32 -2.45 0.74 0.00 -0.33 0.00 0.00 177.00 175.28 1kfi n ALA 7 N -4.00 -1.36 -1.76 -1.55 0.00 -1.26 -4.29 120.51 106.30 1kfi n ALA 7 Ca 0.06 -0.41 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 1kfi n ALA 7 Cb 0.56 -1.98 0.02 0.00 0.00 0.00 0.00 19.45 18.04 1kfi n ALA 7 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1kfi s PRO 8 N -3.61 3.32 -0.15 0.00 0.02 -1.26 -4.65 135.00 128.68 1kfi s PRO 8 Ca 0.65 1.85 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 1kfi s PRO 8 Cb -0.28 -2.15 -0.01 0.00 0.02 0.00 0.00 34.50 32.08 1kfi s PRO 8 CO 0.59 -0.93 -0.13 0.50 -0.33 0.00 0.00 177.00 176.70 1kfi s ARG 9 N -3.04 3.33 -0.19 5.54 3.52 0.66 -4.92 118.95 123.84 1kfi s ARG 9 Ca 0.71 -0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 55.32 1kfi s ARG 9 Cb -0.30 -2.68 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1kfi s ARG 9 CO 0.35 0.10 1.20 0.08 -0.81 0.00 0.00 175.30 176.23 1kfi s VAL 10 N 0.63 4.38 -0.33 7.11 1.01 -1.26 -0.87 120.40 131.07 1kfi s VAL 10 Ca -0.07 1.67 -0.04 0.00 0.00 0.00 0.00 61.98 63.54 1kfi s VAL 10 Cb -0.15 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.18 1kfi s VAL 10 CO 0.03 -0.17 0.08 -1.58 0.00 0.00 0.00 175.10 173.45 1kfi s GLN 11 N 3.46 2.46 0.32 2.72 2.00 -0.42 -4.95 119.66 125.26 1kfi s GLN 11 Ca 0.52 -1.30 -0.29 0.00 -2.00 0.00 0.00 55.36 52.29 1kfi s GLN 11 Cb -0.20 -3.37 -0.10 0.00 0.80 0.00 0.00 33.01 30.15 1kfi s GLN 11 CO 0.13 -0.71 1.34 0.08 -0.50 0.00 0.00 175.29 175.63 1kfi s VAL 12 N 1.31 2.66 0.05 1.34 1.01 -1.26 0.16 120.40 125.68 1kfi s VAL 12 Ca -0.02 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.56 1kfi s VAL 12 Cb -0.20 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1kfi s VAL 12 CO 0.00 0.15 0.07 0.28 0.00 0.00 0.00 175.10 175.60 1kfi s THR 13 N -0.94 0.16 -0.20 3.92 -1.32 -0.90 -4.79 115.64 111.58 1kfi s THR 13 Ca 0.51 -1.33 -0.10 0.00 -1.21 0.00 0.00 61.69 59.57 1kfi s THR 13 Cb -0.41 -1.17 -0.05 0.00 -1.51 0.00 0.00 72.50 69.37 1kfi s THR 13 CO 0.52 -0.73 0.12 -1.58 -2.21 0.00 0.00 174.62 170.74 1kfi s GLN 14 N -3.27 4.13 0.98 7.08 0.74 -1.26 -3.87 119.66 124.20 1kfi s GLN 14 Ca 0.01 -0.25 -0.13 0.00 0.05 0.00 0.00 55.36 55.04 1kfi s GLN 14 Cb 0.03 -3.40 0.09 0.00 1.10 0.00 0.00 33.01 30.83 1kfi s GLN 14 CO -0.08 0.26 0.59 -2.30 -0.55 0.00 0.00 175.29 173.21 1kfi n PRO 15 N 3.65 -0.65 -4.42 1.67 -0.02 -1.23 -5.04 135.00 128.96 1kfi n PRO 15 Ca -0.16 -0.15 -0.21 0.00 -2.02 0.00 0.00 63.50 60.96 1kfi n PRO 15 Cb 0.52 -1.99 -0.16 0.00 -0.02 0.00 0.00 33.50 31.85 1kfi n PRO 15 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1kfi s TYR 16 N -2.44 1.05 0.31 6.00 2.02 -1.22 -5.06 117.35 118.01 1kfi s TYR 16 Ca 0.60 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1kfi s TYR 16 Cb -0.21 -0.77 -0.04 0.00 -0.40 0.00 0.00 41.96 40.54 1kfi s TYR 16 CO 0.65 -0.15 0.55 0.00 -1.57 0.00 0.00 175.55 175.03 1kfi s ALA 17 N 0.39 3.66 0.00 3.71 0.00 -1.26 -4.31 121.76 123.95 1kfi s ALA 17 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1kfi s ALA 17 Cb -0.11 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1kfi s ALA 17 CO 0.01 0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1kfi n GLY 18 N -1.31 0.75 2.53 0.00 0.00 -1.26 -4.97 105.19 100.92 1kfi n GLY 18 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1kfi n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kfi n GLN 19 N -2.20 4.39 -3.80 1.61 6.02 -1.26 -4.90 117.38 117.24 1kfi n GLN 19 Ca 0.00 -3.53 -0.36 0.00 -0.01 0.00 0.00 57.00 53.09 1kfi n GLN 19 Cb 0.00 -2.52 -0.12 0.00 1.02 0.00 0.00 30.24 28.62 1kfi n GLN 19 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1kfi s LYS 20 N -1.94 2.25 -0.44 -1.09 2.20 -1.26 -4.49 119.74 114.96 1kfi s LYS 20 Ca 0.52 -1.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.27 1kfi s LYS 20 Cb 0.22 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 1kfi s LYS 20 CO -0.13 -0.89 2.33 -2.30 -0.36 0.00 0.00 175.35 174.01 1kfi n PRO 21 N 4.66 1.17 -0.11 4.03 -0.02 -1.26 -4.73 135.00 138.73 1kfi n PRO 21 Ca -0.07 0.22 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1kfi n PRO 21 Cb 0.42 -2.89 0.11 0.00 -0.02 0.00 0.00 33.50 31.12 1kfi n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfi n GLY 22 N 6.17 -3.45 0.45 -1.23 0.00 -1.19 -4.47 105.19 101.48 1kfi n GLY 22 Ca 0.40 -1.13 0.27 0.00 0.00 0.00 0.00 46.02 45.56 1kfi n GLY 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kfi h THR 23 N -2.55 0.52 -0.64 2.61 1.35 -1.93 0.13 112.91 112.41 1kfi h THR 23 Ca -0.14 -0.07 -0.35 0.00 -0.55 0.00 0.00 66.41 65.29 1kfi h THR 23 Cb 0.49 0.28 -0.21 0.00 -1.73 0.00 0.00 68.15 66.98 1kfi h THR 23 CO 0.09 0.04 0.20 -1.54 -0.25 0.00 0.00 175.52 174.05 1kfi n SER 24 N -4.43 3.38 -0.18 5.36 3.41 -1.26 -5.03 113.62 114.86 1kfi n SER 24 Ca 0.23 -3.74 0.02 0.00 -0.26 0.00 0.00 58.87 55.13 1kfi n SER 24 Cb 0.97 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 1kfi n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kfi n GLY 25 N -1.10 -2.36 3.75 5.00 0.00 0.46 -4.85 105.19 106.09 1kfi n GLY 25 Ca 0.45 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1kfi n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1kfi n LEU 26 N -2.53 4.37 -3.69 0.99 7.94 -0.93 -3.14 117.00 120.01 1kfi n LEU 26 Ca -0.01 1.17 -0.12 0.00 -1.11 0.00 0.00 56.01 55.93 1kfi n LEU 26 Cb 0.09 -1.59 -0.13 0.00 0.53 0.00 0.00 43.42 42.32 1kfi n LEU 26 CO 0.00 0.11 -0.10 -0.13 -1.11 0.00 0.00 177.39 176.16 1kfi s ARG 27 N -0.89 0.20 0.19 1.96 0.52 -1.26 -1.63 118.95 118.05 1kfi s ARG 27 Ca 0.62 0.68 -0.05 0.00 -0.52 0.00 0.00 55.73 56.46 1kfi s ARG 27 Cb -0.50 -0.05 -0.03 0.00 0.52 0.00 0.00 34.95 34.90 1kfi s ARG 27 CO 0.52 -0.22 0.21 0.15 0.02 0.00 0.00 175.30 175.99 1kfi s LYS 28 N 1.87 1.22 0.46 3.54 -0.14 -0.48 -4.97 119.74 121.24 1kfi s LYS 28 Ca -0.04 -1.44 -0.22 0.00 -1.36 0.00 0.00 55.97 52.90 1kfi s LYS 28 Cb -0.11 0.32 -0.08 0.00 -1.68 0.00 0.00 37.83 36.29 1kfi s LYS 28 CO -0.09 -0.42 1.12 0.21 -0.76 0.00 0.00 175.35 175.40 1kfi s LYS 29 N -4.08 3.80 0.15 1.68 2.20 -1.26 -0.01 119.74 122.21 1kfi s LYS 29 Ca 0.29 1.64 -0.28 0.00 -0.36 0.00 0.00 55.97 57.26 1kfi s LYS 29 Cb 0.05 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 1kfi s LYS 29 CO 0.08 -0.48 1.57 0.28 -0.36 0.00 0.00 175.35 176.43 1kfi h VAL 30 N 1.82 0.09 -0.85 4.02 2.07 -1.66 -1.35 116.25 120.40 1kfi h VAL 30 Ca -0.49 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.31 1kfi h VAL 30 Cb 1.24 0.09 -0.16 0.00 -1.52 0.00 0.00 31.29 30.95 1kfi h VAL 30 CO 0.60 0.00 0.18 -1.20 0.02 0.00 0.00 177.57 177.17 1kfi n SER 31 N -5.41 0.05 0.09 0.57 7.64 -1.26 0.15 113.62 115.45 1kfi n SER 31 Ca -0.02 1.43 -0.16 0.00 1.01 0.00 0.00 58.87 61.13 1kfi n SER 31 Cb 0.35 -0.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.86 1kfi n SER 31 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1kfi h GLU 32 N 0.00 0.38 -0.63 1.43 4.81 -1.66 -3.34 114.58 115.57 1kfi h GLU 32 Ca 0.59 -0.53 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1kfi h GLU 32 Cb 1.38 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.91 1kfi h GLU 32 CO -0.75 1.21 0.11 0.00 -0.73 0.00 0.00 179.01 178.86 1kfi h ALA 33 N 0.58 1.02 -0.03 2.92 0.00 0.24 -3.05 119.26 120.95 1kfi h ALA 33 Ca -0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1kfi h ALA 33 Cb 1.84 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1kfi h ALA 33 CO 0.20 0.63 0.00 0.25 0.00 0.00 0.00 179.25 180.33 1kfi n THR 34 N -4.23 0.04 -1.53 0.00 -2.24 -0.05 -3.71 114.28 102.56 1kfi n THR 34 Ca 0.04 -0.04 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1kfi n THR 34 Cb 0.27 -0.11 0.09 0.00 -2.10 0.00 0.00 70.33 68.48 1kfi n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kfi n GLN 35 N -0.54 0.80 -1.58 -0.78 6.02 -1.15 -4.79 117.38 115.36 1kfi n GLN 35 Ca 0.08 0.34 -0.56 0.00 -0.01 0.00 0.00 57.00 56.85 1kfi n GLN 35 Cb 0.07 -2.45 -0.08 0.00 1.02 0.00 0.00 30.24 28.79 1kfi n GLN 35 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1kfi n PRO 36 N -2.19 0.99 -1.33 -1.09 -0.02 -1.26 -0.18 135.00 129.92 1kfi n PRO 36 Ca 0.15 0.33 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1kfi n PRO 36 Cb 0.49 -2.14 -0.05 0.00 -0.02 0.00 0.00 33.50 31.77 1kfi n PRO 36 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1kfi n ASN 37 N 7.04 -4.76 0.22 2.55 5.03 -1.26 -4.90 115.26 119.17 1kfi n ASN 37 Ca 0.35 0.28 -0.13 0.00 0.87 0.00 0.00 54.58 55.95 1kfi n ASN 37 Cb 0.14 -3.26 -0.07 0.00 -1.02 0.00 0.00 39.78 35.56 1kfi n ASN 37 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1kfi h TYR 38 N 0.00 -0.56 0.52 3.10 3.20 -0.80 -2.30 116.97 120.13 1kfi h TYR 38 Ca -0.23 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.60 1kfi h TYR 38 Cb 0.87 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 1kfi h TYR 38 CO 0.40 -0.24 -0.29 1.25 -1.64 0.00 0.00 178.16 177.64 1kfi h LEU 39 N -0.98 -0.73 -1.11 2.82 5.85 -1.77 -2.94 115.31 116.46 1kfi h LEU 39 Ca -0.06 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.84 1kfi h LEU 39 Cb 0.57 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 1kfi h LEU 39 CO 0.10 -0.47 0.61 -0.33 -0.34 0.00 0.00 178.44 178.01 1kfi h GLU 40 N -0.76 0.80 -0.39 1.25 3.07 -1.94 0.73 114.58 117.34 1kfi h GLU 40 Ca -0.06 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 1kfi h GLU 40 Cb 0.61 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1kfi h GLU 40 CO 0.08 0.53 0.11 -0.91 -1.40 0.00 0.00 179.01 177.42 1kfi h ASN 41 N 0.82 0.52 0.05 1.42 4.21 -1.27 0.11 115.58 121.44 1kfi h ASN 41 Ca 0.50 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.94 1kfi h ASN 41 Cb 0.69 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1kfi h ASN 41 CO -0.27 0.52 -0.02 0.15 -1.29 0.00 0.00 177.43 176.51 1kfi h PHE 42 N 0.56 -0.06 -0.66 1.19 3.57 -0.78 -1.78 116.94 118.98 1kfi h PHE 42 Ca 0.13 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.73 1kfi h PHE 42 Cb 0.20 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 1kfi h PHE 42 CO 0.01 0.50 0.28 0.28 -2.23 0.00 0.00 178.31 177.15 1kfi h VAL 43 N -0.94 0.78 -0.66 1.41 2.07 -0.94 0.41 116.25 118.38 1kfi h VAL 43 Ca -0.01 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1kfi h VAL 43 Cb 0.60 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1kfi h VAL 43 CO 0.01 0.09 0.23 -0.61 0.02 0.00 0.00 177.57 177.31 1kfi h GLN 44 N 0.47 1.02 -0.31 1.57 5.75 -0.86 -1.56 115.11 121.20 1kfi h GLN 44 Ca 0.33 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.60 1kfi h GLN 44 Cb 0.41 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1kfi h GLN 44 CO -0.31 0.87 0.07 0.77 -2.65 0.00 0.00 178.83 177.58 1kfi h SER 45 N 0.96 0.40 0.37 -0.69 0.02 -0.28 0.26 113.55 114.58 1kfi h SER 45 Ca 0.22 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1kfi h SER 45 Cb 0.26 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1kfi h SER 45 CO -0.01 0.42 -0.18 0.40 -1.14 0.00 0.00 176.83 176.32 1kfi h ILE 46 N 0.44 0.65 -0.25 3.27 2.04 -0.31 -0.64 117.51 122.70 1kfi h ILE 46 Ca 0.10 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1kfi h ILE 46 Cb 0.18 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1kfi h ILE 46 CO -0.00 0.05 0.18 -0.26 0.00 0.00 0.00 178.15 178.12 1kfi h PHE 47 N -0.62 0.00 0.00 1.37 0.05 -0.70 0.16 116.94 117.20 1kfi h PHE 47 Ca -0.05 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.65 1kfi h PHE 47 Cb 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.39 1kfi h PHE 47 CO -0.02 0.00 -0.44 -0.91 -0.18 0.00 0.00 178.31 176.76 1kfi h ASN 48 N 0.00 0.00 0.69 2.17 -0.26 0.10 -3.18 115.58 115.10 1kfi h ASN 48 Ca 0.12 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.71 1kfi h ASN 48 Cb 0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.72 1kfi h ASN 48 CO -0.00 0.44 -0.73 0.74 -1.06 0.00 0.00 177.43 176.83 1kfi h THR 49 N 0.00 1.51 -4.09 2.81 2.02 0.58 -3.45 112.91 112.29 1kfi h THR 49 Ca -0.00 -2.46 -0.48 0.00 0.77 0.00 0.00 66.41 64.23 1kfi h THR 49 Cb 1.12 2.33 0.05 0.00 -1.74 0.00 0.00 68.15 69.91 1kfi h THR 49 CO 0.06 0.70 0.40 -0.76 0.37 0.00 0.00 175.52 176.29 1kfi s LEU 50 N -7.40 3.76 0.32 2.58 1.43 -1.10 -4.97 118.68 113.30 1kfi s LEU 50 Ca -0.01 2.01 -0.29 0.00 -1.03 0.00 0.00 54.13 54.81 1kfi s LEU 50 Cb 0.12 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.67 1kfi s LEU 50 CO 0.78 -1.01 1.41 -0.13 0.23 0.00 0.00 176.35 177.64 1kfi s ARG 51 N -3.36 4.25 0.53 1.70 3.00 -1.26 -4.87 118.95 118.94 1kfi s ARG 51 Ca 0.69 2.36 0.21 0.00 0.00 0.00 0.00 55.73 58.99 1kfi s ARG 51 Cb -0.19 -3.05 1.36 0.00 0.00 0.00 0.00 34.95 33.07 1kfi s ARG 51 CO 0.25 -0.37 2.09 1.57 0.00 0.00 0.00 175.30 178.83 1kfi h LYS 52 N 3.77 0.00 0.00 3.54 2.10 -1.91 -0.82 116.57 123.25 1kfi h LYS 52 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1kfi h LYS 52 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1kfi h LYS 52 CO 0.69 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.74 1kfi n ASP 53 N -4.41 0.00 0.12 7.07 5.68 -1.26 -2.75 116.55 120.99 1kfi n ASP 53 Ca 0.02 -0.65 0.03 0.00 -0.50 0.00 0.00 54.79 53.70 1kfi n ASP 53 Cb 0.31 -0.12 0.01 0.00 -1.14 0.00 0.00 41.12 40.19 1kfi n ASP 53 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1kfi h GLU 54 N 0.00 0.00 0.00 0.11 5.08 -1.51 -3.31 114.58 114.95 1kfi h GLU 54 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1kfi h GLU 54 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1kfi h GLU 54 CO 0.00 0.38 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.60 1kfi h LEU 55 N 0.00 0.00 -0.55 1.33 3.38 -1.62 -3.37 115.31 114.49 1kfi h LEU 55 Ca -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1kfi h LEU 55 Cb 1.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1kfi h LEU 55 CO 0.05 0.29 -0.44 0.11 0.09 0.00 0.00 178.44 178.54 1kfi h LYS 56 N 0.00 0.67 -7.50 1.13 1.79 -1.65 -3.39 116.57 107.62 1kfi h LYS 56 Ca -0.04 -0.37 -0.46 0.00 -2.18 0.00 0.00 60.65 57.61 1kfi h LYS 56 Cb 1.26 0.02 0.14 0.00 -1.58 0.00 0.00 32.23 32.07 1kfi h LYS 56 CO 0.03 0.98 0.29 -1.25 -1.08 0.00 0.00 179.45 178.42 1kfi s PRO 57 N -4.21 0.91 -0.40 3.15 0.04 -1.26 -4.89 135.00 128.35 1kfi s PRO 57 Ca -0.08 0.23 -0.27 0.00 0.04 0.00 0.00 61.00 60.91 1kfi s PRO 57 Cb 0.12 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1kfi s PRO 57 CO 0.85 -2.34 2.07 0.21 0.04 0.00 0.00 177.00 177.82 1kfi s LYS 58 N -5.32 2.83 0.20 4.56 2.20 -1.26 -4.70 119.74 118.26 1kfi s LYS 58 Ca 0.65 1.40 0.08 0.00 -0.36 0.00 0.00 55.97 57.74 1kfi s LYS 58 Cb -0.14 -4.38 -0.05 0.00 -1.51 0.00 0.00 37.83 31.76 1kfi s LYS 58 CO 0.54 -2.45 -0.14 0.54 -0.36 0.00 0.00 175.35 173.48 1kfi s ASN 59 N 8.56 2.54 -0.08 1.43 2.20 -1.26 -4.82 114.94 123.51 1kfi s ASN 59 Ca 0.87 -1.02 0.04 0.00 -0.94 0.00 0.00 52.86 51.81 1kfi s ASN 59 Cb -0.22 -0.13 -0.01 0.00 -2.00 0.00 0.00 41.25 38.89 1kfi s ASN 59 CO 0.29 -0.18 -0.22 -0.69 -2.94 0.00 0.00 177.10 173.36 1kfi s VAL 60 N -2.99 2.29 -0.27 3.54 1.01 -0.03 -1.83 120.40 122.13 1kfi s VAL 60 Ca 0.22 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1kfi s VAL 60 Cb -0.00 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.56 1kfi s VAL 60 CO 0.07 0.56 -0.08 -0.22 0.00 0.00 0.00 175.10 175.43 1kfi s LEU 61 N 0.02 3.54 0.50 3.92 2.96 -0.14 -1.69 118.68 127.79 1kfi s LEU 61 Ca -0.08 -1.32 -0.08 0.00 -0.22 0.00 0.00 54.13 52.43 1kfi s LEU 61 Cb -0.15 -1.60 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1kfi s LEU 61 CO 0.05 -0.20 0.85 0.12 -1.32 0.00 0.00 176.35 175.85 1kfi s PHE 62 N 1.16 3.55 -0.22 5.38 5.36 -1.10 -1.12 117.98 131.00 1kfi s PHE 62 Ca -0.07 1.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.88 1kfi s PHE 62 Cb -0.20 -2.46 0.09 0.00 -0.34 0.00 0.00 43.02 40.12 1kfi s PHE 62 CO -0.04 -0.34 0.20 0.08 -1.46 0.00 0.00 175.22 173.66 1kfi s VAL 63 N -2.76 -0.27 0.39 3.12 1.01 0.13 -1.16 120.40 120.87 1kfi s VAL 63 Ca 0.51 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.33 1kfi s VAL 63 Cb -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1kfi s VAL 63 CO 0.43 -0.30 0.52 -0.83 0.00 0.00 0.00 175.10 174.92 1kfi s GLY 64 N 2.27 1.84 -0.10 4.51 0.00 -0.31 -3.74 107.32 111.80 1kfi s GLY 64 Ca 0.07 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 42.87 1kfi s GLY 64 CO -0.16 -1.46 0.86 -0.32 0.00 0.00 0.00 173.10 172.01 1kfi s GLY 65 N -4.28 -0.41 0.00 0.20 0.00 -0.48 0.33 107.32 102.68 1kfi s GLY 65 Ca 0.51 1.64 0.25 0.00 0.00 0.00 0.00 44.72 47.13 1kfi s GLY 65 CO 0.32 0.92 1.44 2.09 0.00 0.00 0.00 173.10 177.88 1kfi n ASP 66 N 0.68 1.78 0.00 1.64 5.75 -0.80 -0.60 116.55 125.00 1kfi n ASP 66 Ca -0.13 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 1kfi n ASP 66 Cb 0.58 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 1kfi n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kfi n GLY 67 N 1.32 3.15 3.40 6.12 0.00 -1.26 -3.26 105.19 114.66 1kfi n GLY 67 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1kfi n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1kfi n ARG 68 N -1.20 0.37 -1.54 1.61 1.85 -1.26 -3.97 116.66 112.52 1kfi n ARG 68 Ca 0.00 0.14 -0.47 0.00 -1.00 0.00 0.00 57.85 56.52 1kfi n ARG 68 Cb 0.00 -1.37 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 1kfi n ARG 68 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1kfi n TYR 69 N -1.13 0.83 -0.67 2.89 9.36 0.56 -2.51 117.16 126.48 1kfi n TYR 69 Ca 0.11 0.77 0.00 0.00 3.32 0.00 0.00 57.90 62.10 1kfi n TYR 69 Cb 0.42 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 1kfi n TYR 69 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1kfi n PHE 70 N 0.48 0.00 -0.09 2.98 7.35 -1.26 -4.75 117.46 122.17 1kfi n PHE 70 Ca 0.13 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.70 1kfi n PHE 70 Cb 0.28 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.07 1kfi n PHE 70 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1kfi h ASN 71 N 0.00 0.51 -0.43 -2.13 4.21 -1.79 -2.04 115.58 113.91 1kfi h ASN 71 Ca 0.00 -0.37 0.06 0.00 1.21 0.00 0.00 56.30 57.19 1kfi h ASN 71 Cb 0.00 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.01 1kfi h ASN 71 CO 0.00 0.77 0.14 0.03 -1.29 0.00 0.00 177.43 177.08 1kfi h ARG 72 N 0.25 0.29 -0.47 0.81 3.08 -1.92 0.34 114.38 116.76 1kfi h ARG 72 Ca 0.06 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1kfi h ARG 72 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1kfi h ARG 72 CO 0.03 0.19 0.24 1.96 -1.07 0.00 0.00 179.97 181.32 1kfi h GLN 73 N 0.30 0.66 -0.87 0.04 4.20 -1.98 -1.55 115.11 115.92 1kfi h GLN 73 Ca 0.20 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1kfi h GLN 73 Cb 0.20 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1kfi h GLN 73 CO -0.21 0.54 0.46 0.00 -0.67 0.00 0.00 178.83 178.94 1kfi h ALA 74 N 1.09 1.11 0.29 3.87 0.00 -0.74 -1.20 119.26 123.67 1kfi h ALA 74 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kfi h ALA 74 Cb 0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1kfi h ALA 74 CO -0.02 0.64 -0.45 0.82 0.00 0.00 0.00 179.25 180.24 1kfi h ILE 75 N 1.22 0.00 -0.25 0.00 2.04 0.32 0.33 117.51 121.17 1kfi h ILE 75 Ca 0.30 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.23 1kfi h ILE 75 Cb 0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 1kfi h ILE 75 CO -0.05 0.00 0.27 -0.26 0.00 0.00 0.00 178.15 178.11 1kfi h PHE 76 N -0.78 0.00 -0.06 1.37 0.04 -1.09 0.61 116.94 117.05 1kfi h PHE 76 Ca -0.03 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.50 1kfi h PHE 76 Cb 0.71 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.88 1kfi h PHE 76 CO -0.32 0.00 -0.91 1.03 -0.60 0.00 0.00 178.31 177.50 1kfi h SER 77 N 0.00 0.83 -0.43 2.17 0.87 0.06 -2.71 113.55 114.33 1kfi h SER 77 Ca 0.12 -0.61 -0.06 0.00 -1.23 0.00 0.00 61.79 60.01 1kfi h SER 77 Cb 0.65 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1kfi h SER 77 CO -0.00 1.41 0.05 0.40 -0.53 0.00 0.00 176.83 178.16 1kfi h ILE 78 N 0.41 1.25 -0.49 2.23 2.04 0.40 -1.98 117.51 121.36 1kfi h ILE 78 Ca -0.09 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 64.90 1kfi h ILE 78 Cb 1.55 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.59 1kfi h ILE 78 CO 0.18 0.32 0.18 0.40 0.00 0.00 0.00 178.15 179.23 1kfi h ILE 79 N 0.58 0.84 -0.50 -0.67 2.04 -0.80 1.37 117.51 120.38 1kfi h ILE 79 Ca 0.13 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1kfi h ILE 79 Cb 0.41 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1kfi h ILE 79 CO 0.01 0.07 0.25 0.03 0.00 0.00 0.00 178.15 178.51 1kfi h ARG 80 N 0.36 0.72 -0.04 2.37 3.08 -1.28 -0.91 114.38 118.68 1kfi h ARG 80 Ca 0.23 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.07 1kfi h ARG 80 Cb 0.24 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1kfi h ARG 80 CO -0.23 0.59 -0.48 -0.07 -1.07 0.00 0.00 179.97 178.71 1kfi h LEU 81 N 0.67 0.10 0.78 3.04 3.38 -0.55 0.88 115.31 123.59 1kfi h LEU 81 Ca 0.17 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1kfi h LEU 81 Cb 0.11 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1kfi h LEU 81 CO -0.02 0.56 -0.37 0.00 0.09 0.00 0.00 178.44 178.70 1kfi h ALA 82 N 1.44 -1.04 -0.16 1.53 0.00 0.24 0.00 119.26 121.27 1kfi h ALA 82 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1kfi h ALA 82 Cb 0.87 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1kfi h ALA 82 CO 0.07 -1.01 -0.10 -0.92 0.00 0.00 0.00 179.25 177.28 1kfi h TYR 83 N -1.19 -0.25 0.00 0.00 5.03 -1.12 -0.05 116.97 119.39 1kfi h TYR 83 Ca -0.11 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1kfi h TYR 83 Cb 0.82 0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1kfi h TYR 83 CO -0.00 -0.16 0.02 0.00 -1.32 0.00 0.00 178.16 176.70 1kfi h ALA 84 N 1.02 1.02 -0.63 1.82 0.00 -0.78 -1.43 119.26 120.28 1kfi h ALA 84 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1kfi h ALA 84 Cb 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 1kfi h ALA 84 CO -0.23 -0.02 0.23 0.09 0.00 0.00 0.00 179.25 179.32 1kfi n ASN 85 N -2.99 3.89 -0.08 0.00 4.13 -0.02 -4.69 115.26 115.50 1kfi n ASN 85 Ca -0.03 -3.41 -0.01 0.00 1.68 0.00 0.00 54.58 52.81 1kfi n ASN 85 Cb 0.08 -0.71 -0.00 0.00 -1.54 0.00 0.00 39.78 37.61 1kfi n ASN 85 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1kfi n ASP 86 N -0.66 -4.66 -4.77 6.41 2.03 -0.54 -4.91 116.55 109.46 1kfi n ASP 86 Ca 0.40 0.03 -0.38 0.00 0.52 0.00 0.00 54.79 55.35 1kfi n ASP 86 Cb 1.29 -2.26 -0.04 0.00 -0.72 0.00 0.00 41.12 39.39 1kfi n ASP 86 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1kfi s ILE 87 N -1.53 3.58 -0.14 5.18 1.01 -0.85 -4.70 121.20 123.76 1kfi s ILE 87 Ca 0.00 1.40 -0.25 0.00 0.00 0.00 0.00 60.65 61.80 1kfi s ILE 87 Cb 0.00 -3.82 -0.25 0.00 0.01 0.00 0.00 42.46 38.40 1kfi s ILE 87 CO 0.00 0.19 0.63 0.28 0.00 0.00 0.00 174.94 176.05 1kfi h SER 88 N 3.17 0.10 -4.24 3.58 0.02 -1.83 -3.40 113.55 110.96 1kfi h SER 88 Ca -0.47 -0.86 -0.38 0.00 -0.84 0.00 0.00 61.79 59.23 1kfi h SER 88 Cb 1.21 -0.03 -0.26 0.00 0.14 0.00 0.00 62.40 63.46 1kfi h SER 88 CO 0.65 1.24 -0.77 -1.61 -1.14 0.00 0.00 176.83 175.19 1kfi s GLU 89 N -2.31 0.74 -0.19 3.45 2.02 -0.76 -1.56 118.70 120.09 1kfi s GLU 89 Ca -0.21 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.27 1kfi s GLU 89 Cb 0.00 -0.69 0.03 0.00 0.10 0.00 0.00 34.13 33.58 1kfi s GLU 89 CO 0.69 0.18 -0.14 0.08 0.02 0.00 0.00 175.26 176.09 1kfi s VAL 90 N -0.60 1.81 -0.16 2.63 1.01 -0.17 -0.97 120.40 123.94 1kfi s VAL 90 Ca 0.01 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 1kfi s VAL 90 Cb -0.06 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1kfi s VAL 90 CO 0.00 0.34 0.09 -1.00 0.00 0.00 0.00 175.10 174.54 1kfi s HIS 91 N 1.36 3.37 -0.07 5.22 3.76 -0.28 -1.11 115.29 127.55 1kfi s HIS 91 Ca 0.02 0.27 -0.06 0.00 -0.15 0.00 0.00 55.06 55.13 1kfi s HIS 91 Cb -0.15 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.52 1kfi s HIS 91 CO -0.10 0.37 0.19 0.54 -0.85 0.00 0.00 174.74 174.89 1kfi s VAL 92 N -0.10 -0.00 0.73 -0.90 0.11 -1.11 0.21 120.40 119.34 1kfi s VAL 92 Ca 0.08 0.01 -0.14 0.00 -2.93 0.00 0.00 61.98 59.01 1kfi s VAL 92 Cb -0.12 -0.27 0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1kfi s VAL 92 CO 0.01 0.00 1.14 -0.83 -3.33 0.00 0.00 175.10 172.09 1kfi s GLY 93 N 0.17 2.08 0.30 6.54 0.00 -1.25 -1.40 107.32 113.77 1kfi s GLY 93 Ca -0.01 0.60 -0.28 0.00 0.00 0.00 0.00 44.72 45.03 1kfi s GLY 93 CO -0.00 0.98 1.16 -0.18 0.00 0.00 0.00 173.10 175.05 1kfi n GLN 94 N -2.88 1.71 -1.25 2.90 7.27 -0.08 0.11 117.38 125.16 1kfi n GLN 94 Ca 0.11 0.60 -0.10 0.00 0.07 0.00 0.00 57.00 57.68 1kfi n GLN 94 Cb 0.52 -2.08 -0.04 0.00 2.41 0.00 0.00 30.24 31.04 1kfi n GLN 94 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kfi n ALA 95 N 0.44 -0.16 -1.16 1.69 0.00 0.13 -0.19 120.51 121.25 1kfi n ALA 95 Ca 0.08 0.17 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 1kfi n ALA 95 Cb 0.33 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 1kfi n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfi n GLY 96 N 0.19 0.80 3.71 0.00 0.00 0.12 -4.94 105.19 105.06 1kfi n GLY 96 Ca -0.10 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1kfi n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kfi s LEU 97 N -1.26 4.18 -0.30 0.99 1.02 0.73 -3.61 118.68 120.44 1kfi s LEU 97 Ca 0.00 0.23 -0.10 0.00 0.02 0.00 0.00 54.13 54.28 1kfi s LEU 97 Cb 0.00 -2.13 0.18 0.00 0.02 0.00 0.00 46.19 44.26 1kfi s LEU 97 CO 0.00 0.13 0.93 -0.32 0.02 0.00 0.00 176.35 177.10 1kfi s MET 98 N 0.62 0.30 0.99 1.70 1.75 0.23 -4.02 119.30 120.86 1kfi s MET 98 Ca 0.09 0.54 -0.13 0.00 -1.25 0.00 0.00 55.69 54.94 1kfi s MET 98 Cb -0.12 0.30 0.10 0.00 2.84 0.00 0.00 34.83 37.95 1kfi s MET 98 CO 0.01 -0.31 0.59 -1.13 -0.65 0.00 0.00 175.02 173.53 1kfi n SER 99 N 5.43 -1.48 -0.34 1.11 3.41 -1.26 -1.39 113.62 119.10 1kfi n SER 99 Ca -0.06 0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.76 1kfi n SER 99 Cb 0.53 -1.24 0.09 0.00 -0.26 0.00 0.00 64.21 63.33 1kfi n SER 99 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1kfi h THR 100 N -1.84 1.26 -0.07 6.66 2.02 -1.84 0.49 112.91 119.60 1kfi h THR 100 Ca -0.47 -0.61 -0.22 0.00 0.77 0.00 0.00 66.41 65.88 1kfi h THR 100 Cb 1.30 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1kfi h THR 100 CO 0.38 0.28 -0.85 -0.65 0.37 0.00 0.00 175.52 175.06 1kfi h PRO 101 N 1.29 0.56 -0.20 6.66 0.11 -1.79 -1.51 132.00 137.11 1kfi h PRO 101 Ca 0.33 -0.51 -0.13 0.00 0.11 0.00 0.00 66.00 65.80 1kfi h PRO 101 Cb -0.01 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 1kfi h PRO 101 CO -0.06 1.14 -0.41 0.00 -0.21 0.00 0.00 178.00 178.46 1kfi h ALA 102 N 0.70 0.91 -0.32 -0.75 0.00 -1.82 0.40 119.26 118.38 1kfi h ALA 102 Ca -0.06 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1kfi h ALA 102 Cb 1.46 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1kfi h ALA 102 CO 0.16 0.63 -0.28 0.77 0.00 0.00 0.00 179.25 180.53 1kfi h SER 103 N 0.39 0.68 -0.35 0.00 0.02 0.04 0.28 113.55 114.62 1kfi h SER 103 Ca 0.03 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1kfi h SER 103 Cb 0.89 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1kfi h SER 103 CO 0.08 0.93 0.00 -1.28 -1.14 0.00 0.00 176.83 175.42 1kfi h SER 104 N 0.57 0.60 -0.15 3.07 0.87 -0.78 -2.54 113.55 115.19 1kfi h SER 104 Ca 0.07 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1kfi h SER 104 Cb 0.78 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1kfi h SER 104 CO 0.06 0.76 0.05 -0.74 -0.53 0.00 0.00 176.83 176.42 1kfi h HIS 105 N 0.42 0.25 -0.80 2.24 6.17 -0.65 -2.75 115.15 120.02 1kfi h HIS 105 Ca 0.10 -0.03 0.10 0.00 0.71 0.00 0.00 60.37 61.25 1kfi h HIS 105 Cb 0.45 -0.07 -0.07 0.00 2.52 0.00 0.00 27.41 30.23 1kfi h HIS 105 CO 0.04 0.36 0.44 -0.92 0.71 0.00 0.00 177.93 178.56 1kfi h TYR 106 N 0.07 0.80 -0.44 5.26 3.20 -0.40 0.47 116.97 125.93 1kfi h TYR 106 Ca 0.05 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1kfi h TYR 106 Cb 0.23 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1kfi h TYR 106 CO 0.00 0.31 0.23 0.82 -1.64 0.00 0.00 178.16 177.88 1kfi h ILE 107 N 0.73 0.98 -0.44 1.81 2.04 -1.36 -1.21 117.51 120.06 1kfi h ILE 107 Ca 0.39 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.98 1kfi h ILE 107 Cb 0.39 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1kfi h ILE 107 CO -0.26 0.08 -0.18 0.03 0.00 0.00 0.00 178.15 177.82 1kfi h ARG 108 N 0.46 0.85 0.10 2.37 3.08 -0.79 -1.95 114.38 118.49 1kfi h ARG 108 Ca 0.19 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1kfi h ARG 108 Cb 0.09 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1kfi h ARG 108 CO -0.13 0.96 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.46 1kfi h LYS 109 N 0.75 -0.13 -0.75 0.04 3.64 0.35 0.93 116.57 121.40 1kfi h LYS 109 Ca 0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1kfi h LYS 109 Cb 0.70 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1kfi h LYS 109 CO 0.05 -0.08 0.45 0.28 -2.27 0.00 0.00 179.45 177.88 1kfi h VAL 110 N -0.15 1.21 0.00 2.00 2.07 -1.18 -1.79 116.25 118.41 1kfi h VAL 110 Ca -0.01 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1kfi h VAL 110 Cb 0.11 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1kfi h VAL 110 CO 0.02 0.23 0.00 0.59 0.02 0.00 0.00 177.57 178.43 1kfi n ASN 111 N -4.50 0.12 -0.05 0.57 3.02 -0.74 0.45 115.26 114.13 1kfi n ASN 111 Ca 0.07 0.52 -0.15 0.00 -0.03 0.00 0.00 54.58 54.99 1kfi n ASN 111 Cb 0.06 -0.55 -0.14 0.00 -0.61 0.00 0.00 39.78 38.54 1kfi n ASN 111 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1kfi n GLU 112 N -1.62 0.69 0.01 3.52 1.02 0.28 -3.45 120.64 121.09 1kfi n GLU 112 Ca 0.05 0.20 -0.19 0.00 -0.02 0.00 0.00 57.16 57.20 1kfi n GLU 112 Cb 0.26 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 29.87 1kfi n GLU 112 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1kfi h GLU 113 N 0.02 0.23 -2.04 3.49 5.08 -1.26 -3.43 114.58 116.68 1kfi h GLU 113 Ca -0.43 -0.39 -0.42 0.00 -1.00 0.00 0.00 59.36 57.12 1kfi h GLU 113 Cb 2.04 0.15 -0.32 0.00 0.50 0.00 0.00 28.75 31.12 1kfi h GLU 113 CO 0.04 1.08 -0.74 0.08 -1.00 0.00 0.00 179.01 178.48 1kfi s VAL 114 N -2.57 -0.21 0.00 3.13 1.01 0.17 -5.05 120.40 116.88 1kfi s VAL 114 Ca -0.17 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.47 1kfi s VAL 114 Cb 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1kfi s VAL 114 CO 0.80 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1kfi n GLY 115 N 3.92 0.06 1.82 4.51 0.00 -1.21 -3.86 105.19 110.43 1kfi n GLY 115 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1kfi n GLY 115 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kfi n ASN 116 N 1.01 4.90 -4.62 1.61 6.94 -1.26 -4.89 115.26 118.95 1kfi n ASN 116 Ca 0.00 -3.15 -0.39 0.00 -0.02 0.00 0.00 54.58 51.02 1kfi n ASN 116 Cb 0.00 -0.71 -0.09 0.00 -2.36 0.00 0.00 39.78 36.63 1kfi n ASN 116 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1kfi n ILE 118 N 4.98 0.00 0.00 0.00 -5.35 -0.68 -4.60 119.36 113.71 1kfi n ILE 118 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1kfi n ILE 118 Cb 0.51 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1kfi n ILE 118 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kfi n GLY 119 N 0.36 -0.87 3.03 3.28 0.00 -1.26 -4.43 105.19 105.30 1kfi n GLY 119 Ca 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 1kfi n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kfi s GLY 120 N 0.00 -0.05 -0.21 -0.02 0.00 -0.21 -2.72 107.32 104.11 1kfi s GLY 120 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.78 1kfi s GLY 120 CO 0.00 0.16 0.47 -0.42 0.00 0.00 0.00 173.10 173.30 1kfi s ILE 121 N -0.32 5.14 -0.23 0.90 1.01 -0.31 -0.34 121.20 127.05 1kfi s ILE 121 Ca -0.04 0.83 -0.07 0.00 0.00 0.00 0.00 60.65 61.38 1kfi s ILE 121 Cb -0.03 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1kfi s ILE 121 CO 0.00 0.19 0.05 -0.63 0.00 0.00 0.00 174.94 174.56 1kfi s ILE 122 N 1.63 4.31 -0.74 2.92 1.01 0.11 -1.17 121.20 129.27 1kfi s ILE 122 Ca 0.21 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.51 1kfi s ILE 122 Cb -0.15 -2.99 0.15 0.00 0.01 0.00 0.00 42.46 39.48 1kfi s ILE 122 CO 0.09 0.38 0.81 -0.76 0.00 0.00 0.00 174.94 175.46 1kfi s LEU 123 N 1.25 5.82 0.12 2.97 1.43 0.15 -1.37 118.68 129.05 1kfi s LEU 123 Ca 0.04 -2.01 -0.23 0.00 -1.03 0.00 0.00 54.13 50.90 1kfi s LEU 123 Cb -0.15 -2.29 0.07 0.00 0.03 0.00 0.00 46.19 43.85 1kfi s LEU 123 CO 0.03 -0.91 0.59 0.28 0.23 0.00 0.00 176.35 176.57 1kfi s THR 124 N 1.79 0.01 -0.17 5.49 -1.32 -0.61 -1.90 115.64 118.94 1kfi s THR 124 Ca 0.18 -0.07 0.16 0.00 -1.21 0.00 0.00 61.69 60.75 1kfi s THR 124 Cb -0.15 -1.01 0.38 0.00 -1.51 0.00 0.00 72.50 70.20 1kfi s THR 124 CO -0.03 -0.04 1.24 0.00 -2.21 0.00 0.00 174.62 173.58 1kfi n ALA 125 N -0.12 2.81 -0.51 11.08 0.00 -1.26 -3.55 120.51 128.97 1kfi n ALA 125 Ca -0.17 -2.73 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1kfi n ALA 125 Cb 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1kfi n ALA 125 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1kfi n SER 126 N -1.18 0.00 0.00 0.00 7.64 -1.26 -2.66 113.62 116.16 1kfi n SER 126 Ca 0.19 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.20 1kfi n SER 126 Cb 0.73 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 64.31 1kfi n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kfi n HIS 127 N 13.01 0.04 -1.69 1.43 1.44 -1.26 -4.28 115.22 123.91 1kfi n HIS 127 Ca 0.00 0.01 -0.45 0.00 -2.01 0.00 0.00 57.72 55.28 1kfi n HIS 127 Cb 0.00 -0.37 -0.04 0.00 0.12 0.00 0.00 29.99 29.71 1kfi n HIS 127 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1kfi n ASN 128 N -1.54 3.42 -4.47 4.39 4.13 -1.09 -3.65 115.26 116.46 1kfi n ASN 128 Ca 0.06 1.07 -0.31 0.00 1.68 0.00 0.00 54.58 57.08 1kfi n ASN 128 Cb 0.34 -1.48 0.17 0.00 -1.54 0.00 0.00 39.78 37.28 1kfi n ASN 128 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1kfi n PRO 129 N 3.62 -1.06 -4.43 3.52 -0.02 -1.26 -4.77 135.00 130.61 1kfi n PRO 129 Ca 0.17 -0.27 -0.23 0.00 -2.02 0.00 0.00 63.50 61.14 1kfi n PRO 129 Cb 0.31 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 1kfi n PRO 129 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1kfi s GLY 130 N -2.24 2.56 0.00 -1.23 0.00 -1.26 -1.10 107.32 104.04 1kfi s GLY 130 Ca 0.62 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1kfi s GLY 130 CO 0.64 -1.69 0.00 0.61 0.00 0.00 0.00 173.10 172.67 1kfi n GLY 131 N -0.82 4.31 0.33 0.20 0.00 -1.11 -4.26 105.19 103.85 1kfi n GLY 131 Ca -0.01 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.79 1kfi n GLY 131 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1kfi h LYS 132 N 0.00 0.49 0.00 1.61 3.64 -1.90 -1.99 116.57 118.42 1kfi h LYS 132 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1kfi h LYS 132 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1kfi h LYS 132 CO 0.00 0.32 0.00 -0.85 -2.27 0.00 0.00 179.45 176.65 1kfi n GLU 133 N -4.47 0.00 -3.06 1.90 0.00 -1.26 -4.64 120.64 109.10 1kfi n GLU 133 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.97 1kfi n GLU 133 Cb 0.20 -0.75 -0.04 0.00 0.00 0.00 0.00 31.44 30.84 1kfi n GLU 133 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1kfi n HIS 134 N -0.46 2.99 -4.57 -1.84 8.25 -1.25 -4.92 115.22 113.41 1kfi n HIS 134 Ca 0.00 -3.96 -0.28 0.00 -0.26 0.00 0.00 57.72 53.22 1kfi n HIS 134 Cb 0.00 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 30.56 1kfi n HIS 134 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1kfi s GLY 135 N -3.04 2.81 0.42 -1.41 0.00 -0.75 -4.73 107.32 100.61 1kfi s GLY 135 Ca 0.45 -0.92 0.07 0.00 0.00 0.00 0.00 44.72 44.32 1kfi s GLY 135 CO -0.11 -1.90 0.01 0.99 0.00 0.00 0.00 173.10 172.09 1kfi s ASP 136 N -3.68 3.90 0.03 1.64 -0.00 -0.26 -1.94 116.67 116.37 1kfi s ASP 136 Ca 0.18 -1.38 0.03 0.00 -0.00 0.00 0.00 52.55 51.38 1kfi s ASP 136 Cb 0.01 -0.35 -0.02 0.00 -0.00 0.00 0.00 42.92 42.56 1kfi s ASP 136 CO 0.13 -0.48 -0.09 0.12 -0.00 0.00 0.00 175.17 174.85 1kfi s PHE 137 N -2.72 0.78 -0.04 4.23 5.36 0.98 -4.47 117.98 122.11 1kfi s PHE 137 Ca 0.33 -0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 55.88 1kfi s PHE 137 Cb 0.09 -0.47 0.01 0.00 -0.34 0.00 0.00 43.02 42.32 1kfi s PHE 137 CO 0.17 -0.03 0.11 0.20 -1.46 0.00 0.00 175.22 174.21 1kfi s GLY 138 N -1.22 -0.07 -0.14 13.12 0.00 -1.23 -1.38 107.32 116.41 1kfi s GLY 138 Ca -0.05 0.35 -0.00 0.00 0.00 0.00 0.00 44.72 45.03 1kfi s GLY 138 CO 0.01 0.38 -0.11 -0.42 0.00 0.00 0.00 173.10 172.95 1kfi s ILE 139 N 0.24 1.33 0.10 0.90 1.09 -0.64 -1.57 121.20 122.65 1kfi s ILE 139 Ca -0.02 -0.49 0.04 0.00 -1.10 0.00 0.00 60.65 59.08 1kfi s ILE 139 Cb -0.03 -1.29 -0.03 0.00 -1.06 0.00 0.00 42.46 40.05 1kfi s ILE 139 CO -0.01 0.40 -0.11 -1.59 -0.10 0.00 0.00 174.94 173.53 1kfi s LYS 140 N 1.58 0.86 -0.09 2.79 -2.85 -0.47 -2.20 119.74 119.37 1kfi s LYS 140 Ca 0.05 -1.14 0.04 0.00 -1.00 0.00 0.00 55.97 53.92 1kfi s LYS 140 Cb -0.13 -0.62 -0.00 0.00 -2.06 0.00 0.00 37.83 35.02 1kfi s LYS 140 CO -0.10 0.11 -0.23 0.12 0.10 0.00 0.00 175.35 175.35 1kfi s PHE 141 N -2.22 2.39 0.02 1.78 5.36 -1.26 0.08 117.98 124.13 1kfi s PHE 141 Ca 0.05 -0.91 0.02 0.00 -0.96 0.00 0.00 56.93 55.13 1kfi s PHE 141 Cb -0.04 -1.60 -0.04 0.00 -0.34 0.00 0.00 43.02 41.00 1kfi s PHE 141 CO 0.01 -0.35 0.01 -0.80 -1.46 0.00 0.00 175.22 172.63 1kfi s ASN 142 N 0.25 5.17 0.70 6.13 0.02 0.53 -0.24 114.94 127.51 1kfi s ASN 142 Ca -0.15 -0.03 -0.03 0.00 -1.02 0.00 0.00 52.86 51.64 1kfi s ASN 142 Cb -0.17 -1.35 0.09 0.00 0.02 0.00 0.00 41.25 39.85 1kfi s ASN 142 CO 0.07 0.25 0.58 1.33 0.02 0.00 0.00 177.10 179.36 1kfi n VAL 143 N 1.17 0.00 0.27 1.60 0.24 0.21 -1.04 118.33 120.78 1kfi n VAL 143 Ca -0.13 -0.75 0.16 0.00 -2.04 0.00 0.00 64.34 61.58 1kfi n VAL 143 Cb 0.52 -1.30 0.75 0.00 -1.47 0.00 0.00 33.84 32.34 1kfi n VAL 143 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1kfi h ARG 144 N 0.00 0.00 -0.01 7.34 3.08 -1.81 0.39 114.38 123.37 1kfi h ARG 144 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1kfi h ARG 144 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1kfi h ARG 144 CO 0.18 0.00 -0.08 0.25 -1.07 0.00 0.00 179.97 179.25 1kfi n THR 145 N -3.07 0.00 -0.99 2.04 -2.24 -1.26 -4.59 114.28 104.17 1kfi n THR 145 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1kfi n THR 145 Cb 0.49 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1kfi n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfi n GLY 146 N 1.21 0.60 3.93 3.38 0.00 0.14 -4.61 105.19 109.85 1kfi n GLY 146 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1kfi n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfi s ALA 147 N -2.47 3.81 0.42 4.61 0.00 -1.25 -4.36 121.76 122.52 1kfi s ALA 147 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 50.85 1kfi s ALA 147 Cb 0.00 -2.00 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 1kfi s ALA 147 CO 0.00 0.36 1.35 -2.30 0.00 0.00 0.00 175.76 175.17 1kfi n PRO 148 N -0.84 2.13 -1.64 0.00 -0.02 -1.26 -0.62 135.00 132.76 1kfi n PRO 148 Ca -0.05 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 61.81 1kfi n PRO 148 Cb 0.54 -2.49 0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1kfi n PRO 148 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kfi n ALA 149 N -0.11 0.36 -1.65 3.55 0.00 0.66 -4.65 120.51 118.67 1kfi n ALA 149 Ca 0.05 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.18 1kfi n ALA 149 Cb 0.40 -2.15 0.04 0.00 0.00 0.00 0.00 19.45 17.73 1kfi n ALA 149 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1kfi s PRO 150 N -2.92 3.14 0.15 0.00 0.02 -1.26 -4.81 135.00 129.31 1kfi s PRO 150 Ca 0.78 0.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 1kfi s PRO 150 Cb -0.40 -2.02 -0.06 0.00 0.02 0.00 0.00 34.50 32.04 1kfi s PRO 150 CO 0.45 -0.94 1.55 1.49 -0.33 0.00 0.00 177.00 179.23 1kfi h GLU 151 N -0.52 -0.29 -0.90 5.54 4.57 -1.98 -0.19 114.58 120.80 1kfi h GLU 151 Ca -0.44 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 57.85 1kfi h GLU 151 Cb 1.21 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.79 1kfi h GLU 151 CO 0.58 -0.19 0.55 0.38 -1.18 0.00 0.00 179.01 179.15 1kfi h ASP 152 N -0.30 0.84 0.01 1.04 2.03 -1.99 0.19 116.42 118.24 1kfi h ASP 152 Ca 0.11 0.03 -0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1kfi h ASP 152 Cb 0.57 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 1kfi h ASP 152 CO -0.67 0.49 -0.01 0.15 -1.03 0.00 0.00 179.24 178.18 1kfi h PHE 153 N 0.95 -0.01 -0.04 4.15 3.57 -1.58 -1.19 116.94 122.78 1kfi h PHE 153 Ca 0.42 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.87 1kfi h PHE 153 Cb 0.31 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1kfi h PHE 153 CO -0.03 0.00 -0.22 1.79 -2.23 0.00 0.00 178.31 177.62 1kfi h THR 154 N -0.03 1.18 -0.42 4.41 1.35 -0.36 -1.93 112.91 117.12 1kfi h THR 154 Ca -0.00 -0.86 -0.12 0.00 -0.55 0.00 0.00 66.41 64.88 1kfi h THR 154 Cb 0.02 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 1kfi h THR 154 CO 0.00 0.25 -0.22 0.44 -0.25 0.00 0.00 175.52 175.74 1kfi h ASP 155 N 0.07 0.88 -0.74 5.36 3.45 -0.25 -1.91 116.42 123.28 1kfi h ASP 155 Ca 0.01 -0.32 -0.00 0.00 0.43 0.00 0.00 57.03 57.14 1kfi h ASP 155 Cb 0.44 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.93 1kfi h ASP 155 CO 0.03 1.06 0.44 1.56 -1.57 0.00 0.00 179.24 180.77 1kfi h GLN 156 N 0.74 1.00 0.57 3.56 1.08 -0.50 -1.03 115.11 120.52 1kfi h GLN 156 Ca 0.10 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1kfi h GLN 156 Cb 0.76 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 1kfi h GLN 156 CO 0.06 0.71 -0.49 0.82 -0.95 0.00 0.00 178.83 178.98 1kfi h ILE 157 N 1.00 0.04 -0.43 2.54 2.04 -0.91 -1.57 117.51 120.22 1kfi h ILE 157 Ca 0.26 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.20 1kfi h ILE 157 Cb -0.03 0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 35.99 1kfi h ILE 157 CO -0.05 0.00 -0.36 0.22 0.00 0.00 0.00 178.15 177.96 1kfi h TYR 158 N -1.04 -1.02 -0.12 1.37 3.20 -1.05 -0.90 116.97 117.41 1kfi h TYR 158 Ca -0.07 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1kfi h TYR 158 Cb 0.88 0.51 -0.05 0.00 1.54 0.00 0.00 36.73 39.61 1kfi h TYR 158 CO -0.21 -0.40 -0.44 1.15 -1.64 0.00 0.00 178.16 176.61 1kfi h THR 159 N -0.27 0.00 -0.91 1.81 2.02 -1.05 -1.58 112.91 112.94 1kfi h THR 159 Ca 0.17 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.60 1kfi h THR 159 Cb 0.56 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.82 1kfi h THR 159 CO -0.57 0.00 0.23 0.45 0.37 0.00 0.00 175.52 176.00 1kfi h HIS 160 N -0.47 0.33 -0.10 3.16 3.86 -0.37 -0.09 115.15 121.47 1kfi h HIS 160 Ca 0.03 0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1kfi h HIS 160 Cb 0.55 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.02 1kfi h HIS 160 CO -0.57 -0.27 0.08 1.79 0.86 0.00 0.00 177.93 179.83 1kfi h THR 161 N 0.16 0.80 -0.46 2.45 1.35 -0.16 -0.04 112.91 117.01 1kfi h THR 161 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.44 1kfi h THR 161 Cb 1.22 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1kfi h THR 161 CO -0.71 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 174.91 1kfi n THR 162 N -4.29 0.72 -0.65 6.82 -2.24 -0.08 -3.43 114.28 111.13 1kfi n THR 162 Ca -0.00 -0.86 0.01 0.00 -2.27 0.00 0.00 64.05 60.92 1kfi n THR 162 Cb 0.20 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1kfi n THR 162 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1kfi n LYS 163 N 1.28 1.38 -2.87 -0.78 4.81 -0.46 -4.92 118.16 116.60 1kfi n LYS 163 Ca 0.18 -1.12 -0.41 0.00 -0.87 0.00 0.00 58.31 56.09 1kfi n LYS 163 Cb 0.55 -0.79 -0.04 0.00 0.02 0.00 0.00 35.03 34.76 1kfi n LYS 163 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1kfi s ILE 164 N -0.65 4.72 -0.04 3.15 2.07 -0.15 -4.95 121.20 125.34 1kfi s ILE 164 Ca 0.02 1.82 0.06 0.00 -1.41 0.00 0.00 60.65 61.14 1kfi s ILE 164 Cb 0.02 -4.21 0.10 0.00 0.13 0.00 0.00 42.46 38.50 1kfi s ILE 164 CO 0.00 0.30 1.01 0.29 -1.91 0.00 0.00 174.94 174.63 1kfi n LYS 165 N 3.10 2.03 0.00 3.50 5.02 -1.26 -3.49 118.16 127.06 1kfi n LYS 165 Ca 0.01 -1.75 0.00 0.00 -2.02 0.00 0.00 58.31 54.54 1kfi n LYS 165 Cb 0.50 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1kfi n LYS 165 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1kfi n GLU 166 N -0.75 0.00 -3.75 1.97 0.28 -1.25 -2.12 120.64 115.02 1kfi n GLU 166 Ca 0.05 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.93 1kfi n GLU 166 Cb 0.42 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.18 1kfi n GLU 166 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1kfi s TYR 167 N -2.00 -0.38 0.17 -1.84 -0.85 0.43 -4.79 117.35 108.09 1kfi s TYR 167 Ca 0.00 0.91 -0.30 0.00 -0.52 0.00 0.00 57.07 57.16 1kfi s TYR 167 Cb 0.00 0.13 -0.08 0.00 0.38 0.00 0.00 41.96 42.39 1kfi s TYR 167 CO 0.00 -0.19 1.30 -0.51 -1.52 0.00 0.00 175.55 174.63 1kfi s LEU 168 N 0.31 4.41 0.00 -3.49 1.43 -1.26 -1.30 118.68 118.78 1kfi s LEU 168 Ca -0.01 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1kfi s LEU 168 Cb -0.03 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.59 1kfi s LEU 168 CO -0.01 -0.52 0.00 0.41 0.23 0.00 0.00 176.35 176.46 1kfi n THR 169 N 2.96 0.00 -3.54 5.49 -1.04 -0.05 -4.56 114.28 113.53 1kfi n THR 169 Ca 0.07 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.97 1kfi n THR 169 Cb 0.43 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 1kfi n THR 169 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1kfi s VAL 170 N -2.39 0.04 -0.59 12.58 -7.23 -1.26 0.24 120.40 121.78 1kfi s VAL 170 Ca 0.00 -0.32 -0.15 0.00 -1.81 0.00 0.00 61.98 59.70 1kfi s VAL 170 Cb 0.00 -1.09 0.15 0.00 0.56 0.00 0.00 36.38 36.00 1kfi s VAL 170 CO 0.00 -0.18 0.54 -1.81 -0.31 0.00 0.00 175.10 173.34 1kfi s ASP 171 N -2.75 6.25 0.13 4.85 1.01 -1.26 -4.95 116.67 119.95 1kfi s ASP 171 Ca 0.02 -2.00 -0.25 0.00 0.71 0.00 0.00 52.55 51.03 1kfi s ASP 171 Cb 0.01 -2.19 0.07 0.00 1.01 0.00 0.00 42.92 41.82 1kfi s ASP 171 CO -0.12 -0.78 0.74 -0.47 0.21 0.00 0.00 175.17 174.75 1kfi s TYR 172 N 1.26 -0.39 -0.48 4.23 5.04 -1.26 -4.53 117.35 121.23 1kfi s TYR 172 Ca 0.06 0.16 0.03 0.00 -2.44 0.00 0.00 57.07 54.89 1kfi s TYR 172 Cb -0.25 0.58 0.13 0.00 0.35 0.00 0.00 41.96 42.77 1kfi s TYR 172 CO 0.00 -0.82 0.23 -1.21 -1.34 0.00 0.00 175.55 172.41 1kfi s GLU 173 N -3.55 1.73 0.11 4.97 0.41 -1.26 -4.97 118.70 116.15 1kfi s GLU 173 Ca 0.05 -2.36 -0.12 0.00 -0.41 0.00 0.00 54.97 52.13 1kfi s GLU 173 Cb -0.02 -3.04 -0.13 0.00 -1.78 0.00 0.00 34.13 29.17 1kfi s GLU 173 CO -0.07 -1.10 1.35 0.74 -0.49 0.00 0.00 175.26 175.69 1kfi h PHE 174 N 6.72 1.10 -0.82 1.61 -1.00 -1.97 -3.09 116.94 119.49 1kfi h PHE 174 Ca -0.06 -0.44 0.23 0.00 2.81 0.00 0.00 57.97 60.50 1kfi h PHE 174 Cb 0.92 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.25 1kfi h PHE 174 CO 0.50 1.28 0.58 1.05 -1.61 0.00 0.00 178.31 180.11 1kfi h GLU 175 N 0.61 0.07 -0.19 1.51 9.09 -1.94 1.47 114.58 125.20 1kfi h GLU 175 Ca -0.02 -0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.29 1kfi h GLU 175 Cb 1.30 -0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 28.37 1kfi h GLU 175 CO 0.14 0.04 -0.28 0.87 0.05 0.00 0.00 179.01 179.83 1kfi h LYS 176 N 0.07 0.37 0.00 1.06 1.57 -1.97 -3.24 116.57 114.43 1kfi h LYS 176 Ca 0.40 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1kfi h LYS 176 Cb 1.48 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1kfi h LYS 176 CO -0.03 0.62 -1.60 0.72 -0.57 0.00 0.00 179.45 178.59 1kfi n HIS 177 N -4.11 0.00 -5.24 -1.35 8.25 0.31 -4.97 115.22 108.10 1kfi n HIS 177 Ca -0.01 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.14 1kfi n HIS 177 Cb 0.41 -0.32 -0.16 0.00 1.12 0.00 0.00 29.99 31.04 1kfi n HIS 177 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1kfi s ILE 178 N -3.19 2.00 -0.45 1.59 1.01 0.43 -5.04 121.20 117.55 1kfi s ILE 178 Ca -0.03 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.61 1kfi s ILE 178 Cb 0.13 -1.68 0.12 0.00 0.01 0.00 0.00 42.46 41.04 1kfi s ILE 178 CO 0.80 0.56 0.18 0.21 0.00 0.00 0.00 174.94 176.69 1kfi s ASN 179 N -0.29 4.46 0.48 3.58 3.04 -1.26 -4.48 114.94 120.46 1kfi s ASN 179 Ca 0.01 -2.68 0.32 0.00 0.04 0.00 0.00 52.86 50.55 1kfi s ASN 179 Cb -0.12 -1.61 1.43 0.00 -1.54 0.00 0.00 41.25 39.41 1kfi s ASN 179 CO 0.02 -0.29 1.72 -0.07 -3.04 0.00 0.00 177.10 175.45 1kfi h LEU 180 N 6.93 0.17 0.00 3.21 3.38 -1.96 0.25 115.31 127.30 1kfi h LEU 180 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1kfi h LEU 180 Cb 0.94 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1kfi h LEU 180 CO 0.62 -0.02 0.00 0.47 0.09 0.00 0.00 178.44 179.60 1kfi n ASP 181 N -4.38 0.00 -4.15 -0.43 8.00 -1.26 0.17 116.55 114.50 1kfi n ASP 181 Ca 0.31 0.37 -0.31 0.00 0.71 0.00 0.00 54.79 55.87 1kfi n ASP 181 Cb 1.29 -0.44 -0.17 0.00 -0.02 0.00 0.00 41.12 41.78 1kfi n ASP 181 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1kfi s GLN 182 N -2.89 2.74 0.82 -1.24 0.74 0.89 -4.67 119.66 116.05 1kfi s GLN 182 Ca 0.13 -0.76 -0.11 0.00 0.05 0.00 0.00 55.36 54.67 1kfi s GLN 182 Cb 0.14 -2.18 0.09 0.00 1.10 0.00 0.00 33.01 32.16 1kfi s GLN 182 CO 0.36 0.04 1.10 0.42 -0.55 0.00 0.00 175.29 176.67 1kfi s ILE 183 N 0.68 2.95 -5.00 -2.34 1.01 -1.26 -4.77 121.20 112.46 1kfi s ILE 183 Ca -0.12 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1kfi s ILE 183 Cb -0.16 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1kfi s ILE 183 CO 0.02 -0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.17 1kfi n GLY 184 N -0.83 0.95 3.08 6.18 0.00 -0.88 -4.97 105.19 108.71 1kfi n GLY 184 Ca 0.09 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 1kfi n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfi s VAL 185 N -1.84 2.02 -0.62 1.61 1.01 -1.26 -2.33 120.40 118.99 1kfi s VAL 185 Ca 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 61.98 60.64 1kfi s VAL 185 Cb 0.00 -1.97 0.14 0.00 0.00 0.00 0.00 36.38 34.55 1kfi s VAL 185 CO 0.00 0.29 0.62 -0.31 0.00 0.00 0.00 175.10 175.70 1kfi s TYR 186 N 1.25 3.29 0.15 5.22 1.51 0.12 -4.99 117.35 123.91 1kfi s TYR 186 Ca -0.01 -1.36 -0.15 0.00 -1.01 0.00 0.00 57.07 54.54 1kfi s TYR 186 Cb -0.16 -3.87 -0.07 0.00 -0.11 0.00 0.00 41.96 37.75 1kfi s TYR 186 CO -0.09 -1.09 0.57 0.15 -1.11 0.00 0.00 175.55 173.98 1kfi s LYS 187 N 1.59 4.03 0.28 -0.62 3.01 -1.26 -1.26 119.74 125.51 1kfi s LYS 187 Ca 0.09 0.56 0.02 0.00 -1.01 0.00 0.00 55.97 55.63 1kfi s LYS 187 Cb -0.24 -2.95 -0.05 0.00 -1.01 0.00 0.00 37.83 33.57 1kfi s LYS 187 CO 0.01 0.48 0.09 -0.06 0.51 0.00 0.00 175.35 176.38 1kfi s PHE 188 N -1.44 1.65 -0.18 3.18 0.40 -0.48 -4.98 117.98 116.14 1kfi s PHE 188 Ca 0.38 -1.13 -0.00 0.00 -0.60 0.00 0.00 56.93 55.57 1kfi s PHE 188 Cb -0.16 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.38 1kfi s PHE 188 CO 0.19 -0.25 -0.15 -1.21 0.70 0.00 0.00 175.22 174.50 1kfi s GLU 189 N -3.99 3.18 0.40 0.44 0.41 -1.26 -2.21 118.70 115.66 1kfi s GLU 189 Ca 0.37 -0.75 0.01 0.00 -0.41 0.00 0.00 54.97 54.20 1kfi s GLU 189 Cb 0.08 -2.69 0.01 0.00 -1.78 0.00 0.00 34.13 29.76 1kfi s GLU 189 CO 0.14 -0.10 0.11 0.41 -0.49 0.00 0.00 175.26 175.33 1kfi n GLY 190 N 4.39 3.41 2.39 -1.39 0.00 0.20 0.18 105.19 114.37 1kfi n GLY 190 Ca -0.19 -2.31 -0.27 0.00 0.00 0.00 0.00 46.02 43.25 1kfi n GLY 190 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kfi n THR 191 N -1.14 1.91 -4.34 2.61 -1.04 -0.32 -4.74 114.28 107.21 1kfi n THR 191 Ca -0.11 -5.04 -0.22 0.00 -2.04 0.00 0.00 64.05 56.64 1kfi n THR 191 Cb 0.48 -2.08 -0.11 0.00 -1.82 0.00 0.00 70.33 66.80 1kfi n THR 191 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1kfi s ARG 192 N -2.29 1.30 -0.17 -2.82 0.52 -1.23 -3.98 118.95 110.30 1kfi s ARG 192 Ca 0.39 -1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 53.87 1kfi s ARG 192 Cb 0.15 -1.35 -0.01 0.00 0.52 0.00 0.00 34.95 34.26 1kfi s ARG 192 CO -0.03 0.27 1.26 -0.51 0.02 0.00 0.00 175.30 176.32 1kfi s LEU 193 N -2.75 4.18 0.00 2.53 1.43 -1.26 -3.28 118.68 119.53 1kfi s LEU 193 Ca 0.17 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 1kfi s LEU 193 Cb -0.05 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1kfi s LEU 193 CO 0.07 -0.76 0.00 -0.62 0.23 0.00 0.00 176.35 175.27 1kfi n GLU 194 N 6.62 0.00 -3.80 1.70 1.02 -1.26 -4.95 120.64 119.97 1kfi n GLU 194 Ca 0.14 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 1kfi n GLU 194 Cb 0.45 -0.95 -0.15 0.00 -0.02 0.00 0.00 31.44 30.77 1kfi n GLU 194 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1kfi s LYS 195 N -0.14 0.89 0.36 3.49 1.02 -1.21 -4.96 119.74 119.19 1kfi s LYS 195 Ca 0.00 -1.27 0.19 0.00 0.02 0.00 0.00 55.97 54.92 1kfi s LYS 195 Cb 0.00 -2.27 0.26 0.00 -0.52 0.00 0.00 37.83 35.30 1kfi s LYS 195 CO 0.00 -0.98 1.55 0.66 -0.92 0.00 0.00 175.35 175.66 1kfi h SER 196 N 7.97 0.00 -1.93 2.83 4.64 -1.85 -3.25 113.55 121.95 1kfi h SER 196 Ca -0.11 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.66 1kfi h SER 196 Cb 1.01 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.03 1kfi h SER 196 CO 0.48 0.28 -0.55 -1.00 -0.87 0.00 0.00 176.83 175.17 1kfi s HIS 197 N -3.12 2.72 0.20 4.77 3.76 -1.26 0.60 115.29 122.96 1kfi s HIS 197 Ca 0.05 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.55 1kfi s HIS 197 Cb 0.07 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.16 1kfi s HIS 197 CO 0.70 0.38 0.26 0.12 -0.85 0.00 0.00 174.74 175.36 1kfi s PHE 198 N -2.40 0.75 -0.13 1.40 5.36 -0.94 -4.70 117.98 117.32 1kfi s PHE 198 Ca 0.37 -1.05 -0.30 0.00 -0.96 0.00 0.00 56.93 54.99 1kfi s PHE 198 Cb -0.03 -0.23 0.10 0.00 -0.34 0.00 0.00 43.02 42.52 1kfi s PHE 198 CO 0.22 -0.75 0.87 -2.00 -1.46 0.00 0.00 175.22 172.10 1kfi s GLU 199 N -4.07 0.77 -0.06 10.12 2.12 -0.60 -1.38 118.70 125.61 1kfi s GLU 199 Ca 0.29 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.85 1kfi s GLU 199 Cb 0.04 0.37 0.02 0.00 0.26 0.00 0.00 34.13 34.81 1kfi s GLU 199 CO 0.08 -0.23 -0.07 0.08 -0.54 0.00 0.00 175.26 174.57 1kfi s VAL 200 N -1.05 0.80 -0.39 3.70 1.01 -0.39 -1.00 120.40 123.08 1kfi s VAL 200 Ca -0.05 -0.26 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1kfi s VAL 200 Cb -0.01 -0.79 0.11 0.00 0.00 0.00 0.00 36.38 35.70 1kfi s VAL 200 CO 0.05 0.29 0.12 -0.75 0.00 0.00 0.00 175.10 174.80 1kfi s LYS 201 N 0.97 1.53 -0.09 2.72 2.20 -0.26 0.16 119.74 126.98 1kfi s LYS 201 Ca -0.10 -2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 53.21 1kfi s LYS 201 Cb -0.15 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1kfi s LYS 201 CO 0.00 -1.00 1.37 0.54 -0.36 0.00 0.00 175.35 175.90 1kfi s VAL 202 N 0.62 4.00 0.27 4.02 0.11 -0.98 -2.73 120.40 125.70 1kfi s VAL 202 Ca 0.13 1.27 0.10 0.00 -2.93 0.00 0.00 61.98 60.54 1kfi s VAL 202 Cb -0.21 -3.82 -0.04 0.00 -1.53 0.00 0.00 36.38 30.78 1kfi s VAL 202 CO -0.07 -0.07 -0.01 0.54 -3.33 0.00 0.00 175.10 172.15 1kfi s VAL 203 N 3.17 3.40 0.18 2.04 0.11 -0.49 -2.08 120.40 126.72 1kfi s VAL 203 Ca 0.61 -1.94 -0.32 0.00 -2.93 0.00 0.00 61.98 57.40 1kfi s VAL 203 Cb -0.27 -2.82 -0.12 0.00 -1.53 0.00 0.00 36.38 31.65 1kfi s VAL 203 CO 0.22 -0.38 1.75 -0.67 -3.33 0.00 0.00 175.10 172.69 1kfi n ASP 204 N -0.88 3.97 0.21 3.54 -0.08 -1.26 -0.90 116.55 121.15 1kfi n ASP 204 Ca -0.06 1.04 0.08 0.00 -1.51 0.00 0.00 54.79 54.34 1kfi n ASP 204 Cb 0.59 -1.56 0.41 0.00 2.34 0.00 0.00 41.12 42.90 1kfi n ASP 204 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kfi h THR 205 N 4.06 0.69 -0.00 5.18 1.03 -1.89 -3.32 112.91 118.66 1kfi h THR 205 Ca -0.44 -1.27 0.00 0.00 -0.01 0.00 0.00 66.41 64.69 1kfi h THR 205 Cb 1.21 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 70.11 1kfi h THR 205 CO 0.95 0.28 -0.20 1.33 -0.01 0.00 0.00 175.52 177.87 1kfi n VAL 206 N -3.46 0.00 0.00 0.00 0.24 -1.26 -4.77 118.33 109.08 1kfi n VAL 206 Ca -0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 1kfi n VAL 206 Cb 0.46 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 1kfi n VAL 206 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1kfi n GLN 207 N -0.96 0.00 -0.06 7.34 -0.06 -1.25 -2.21 117.38 120.18 1kfi n GLN 207 Ca 0.01 0.66 -0.07 0.00 -2.00 0.00 0.00 57.00 55.60 1kfi n GLN 207 Cb 0.08 -1.49 -0.02 0.00 -4.06 0.00 0.00 30.24 24.75 1kfi n GLN 207 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1kfi h ASP 208 N 0.00 -0.25 -0.48 1.69 3.32 -1.88 -2.23 116.42 116.58 1kfi h ASP 208 Ca 0.00 0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1kfi h ASP 208 Cb 0.00 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.64 1kfi h ASP 208 CO 0.00 -0.09 0.01 0.22 -1.72 0.00 0.00 179.24 177.66 1kfi h TYR 209 N -0.01 -0.02 -0.33 4.55 3.20 -1.87 -0.68 116.97 121.82 1kfi h TYR 209 Ca 0.13 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1kfi h TYR 209 Cb 0.20 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1kfi h TYR 209 CO -0.26 -0.10 0.17 1.15 -1.64 0.00 0.00 178.16 177.48 1kfi h THR 210 N 0.12 1.01 -0.82 1.81 2.02 -1.12 0.39 112.91 116.32 1kfi h THR 210 Ca 0.24 -0.12 0.09 0.00 0.77 0.00 0.00 66.41 67.39 1kfi h THR 210 Cb 0.35 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 67.31 1kfi h THR 210 CO -0.39 0.07 0.47 1.56 0.37 0.00 0.00 175.52 177.59 1kfi h GLN 211 N 0.36 0.76 -0.03 6.66 4.20 -0.77 0.36 115.11 126.65 1kfi h GLN 211 Ca 0.13 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1kfi h GLN 211 Cb 0.03 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1kfi h GLN 211 CO -0.08 0.50 0.02 1.25 -0.67 0.00 0.00 178.83 179.85 1kfi h LEU 212 N 0.79 0.03 -1.46 1.46 5.85 -0.03 -1.28 115.31 120.66 1kfi h LEU 212 Ca 0.39 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.11 1kfi h LEU 212 Cb 0.35 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1kfi h LEU 212 CO -0.24 0.06 0.40 0.24 -0.34 0.00 0.00 178.44 178.56 1kfi h MET 213 N 0.00 0.67 -0.24 1.25 2.86 0.46 -0.29 114.93 119.64 1kfi h MET 213 Ca 0.01 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1kfi h MET 213 Cb 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1kfi h MET 213 CO -0.00 0.45 -0.17 1.96 1.06 0.00 0.00 176.91 180.20 1kfi h GLN 214 N 0.69 0.41 -0.14 1.72 4.20 0.20 0.51 115.11 122.70 1kfi h GLN 214 Ca 0.24 -0.13 -0.22 0.00 0.06 0.00 0.00 58.65 58.60 1kfi h GLN 214 Cb 0.11 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 27.85 1kfi h GLN 214 CO -0.07 0.58 -0.79 -0.22 -0.67 0.00 0.00 178.83 177.66 1kfi h LYS 215 N 0.38 0.76 0.00 1.46 3.64 0.04 -3.31 116.57 119.54 1kfi h LYS 215 Ca 0.07 -0.63 -0.20 0.00 -1.27 0.00 0.00 60.65 58.62 1kfi h LYS 215 Cb 0.53 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1kfi h LYS 215 CO 0.03 1.24 -0.94 -0.07 -2.27 0.00 0.00 179.45 177.44 1kfi h LEU 216 N 0.51 0.00 -9.40 5.20 3.38 -0.79 -3.47 115.31 110.74 1kfi h LEU 216 Ca -0.06 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.31 1kfi h LEU 216 Cb 1.42 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.04 1kfi h LEU 216 CO 0.16 0.94 -0.69 -0.36 0.09 0.00 0.00 178.44 178.58 1kfi s PHE 217 N -2.77 2.43 -0.84 1.13 0.08 0.18 -4.91 117.98 113.27 1kfi s PHE 217 Ca 0.01 -0.39 -0.15 0.00 0.12 0.00 0.00 56.93 56.53 1kfi s PHE 217 Cb 0.10 -1.24 0.21 0.00 -0.57 0.00 0.00 43.02 41.52 1kfi s PHE 217 CO 0.81 0.62 0.82 0.34 -0.10 0.00 0.00 175.22 177.71 1kfi s ASP 218 N -3.60 6.75 0.58 1.36 -1.08 -1.26 -4.61 116.67 114.81 1kfi s ASP 218 Ca 0.32 -2.62 0.39 0.00 -0.52 0.00 0.00 52.55 50.12 1kfi s ASP 218 Cb -0.02 -2.23 2.00 0.00 -1.46 0.00 0.00 42.92 41.21 1kfi s ASP 218 CO 0.17 -0.63 2.17 -0.26 0.52 0.00 0.00 175.17 177.14 1kfi h PHE 219 N 7.91 0.00 0.03 -5.34 -1.00 -1.91 -1.43 116.94 115.21 1kfi h PHE 219 Ca 0.12 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.63 1kfi h PHE 219 Cb 1.04 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.62 1kfi h PHE 219 CO 1.06 0.00 -1.09 -0.44 -1.61 0.00 0.00 178.31 176.23 1kfi h ASP 220 N 0.00 0.86 0.40 2.17 3.45 -1.98 0.23 116.42 121.55 1kfi h ASP 220 Ca 0.00 -0.72 -0.01 0.00 0.43 0.00 0.00 57.03 56.73 1kfi h ASP 220 Cb 0.11 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1kfi h ASP 220 CO 0.00 1.52 -0.25 0.25 -1.57 0.00 0.00 179.24 179.19 1kfi h LEU 221 N 0.35 -0.63 -1.00 1.55 5.85 -1.71 -0.05 115.31 119.67 1kfi h LEU 221 Ca -0.14 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1kfi h LEU 221 Cb 1.74 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.91 1kfi h LEU 221 CO 0.21 -0.40 0.66 -0.07 -0.34 0.00 0.00 178.44 178.50 1kfi h LEU 222 N -0.63 1.14 -1.26 2.25 4.07 -1.41 -1.16 115.31 118.30 1kfi h LEU 222 Ca -0.04 -0.03 0.01 0.00 0.08 0.00 0.00 57.88 57.90 1kfi h LEU 222 Cb 0.52 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.94 1kfi h LEU 222 CO 0.04 0.82 0.50 0.50 -1.08 0.00 0.00 178.44 179.22 1kfi h LYS 223 N 1.34 0.97 -0.15 1.13 3.64 -0.61 0.23 116.57 123.12 1kfi h LYS 223 Ca 0.37 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.59 1kfi h LYS 223 Cb -0.14 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.45 1kfi h LYS 223 CO -0.08 0.64 -0.33 0.78 -2.27 0.00 0.00 179.45 178.19 1kfi h GLY 224 N 1.00 0.33 0.90 5.01 0.00 0.18 -1.12 103.07 109.36 1kfi h GLY 224 Ca 0.28 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1kfi h GLY 224 CO -0.07 0.26 -0.04 -2.00 0.00 0.00 0.00 176.54 174.69 1kfi h LEU 225 N 0.26 0.58 -0.17 3.11 5.85 -0.18 -1.69 115.31 123.07 1kfi h LEU 225 Ca 0.03 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1kfi h LEU 225 Cb 0.72 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1kfi h LEU 225 CO 0.05 0.78 0.00 0.49 -0.34 0.00 0.00 178.44 179.42 1kfi n PHE 226 N -4.50 0.21 -1.13 1.25 3.01 -0.30 -1.61 117.46 114.39 1kfi n PHE 226 Ca -0.02 0.08 -0.09 0.00 1.01 0.00 0.00 57.45 58.43 1kfi n PHE 226 Cb 0.29 -0.63 0.26 0.00 -0.01 0.00 0.00 39.48 39.40 1kfi n PHE 226 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1kfi n SER 227 N -1.69 4.28 -4.26 4.37 7.64 -0.44 -4.85 113.62 118.67 1kfi n SER 227 Ca 0.03 -3.36 -0.37 0.00 1.01 0.00 0.00 58.87 56.18 1kfi n SER 227 Cb 0.20 -0.74 -0.13 0.00 -1.01 0.00 0.00 64.21 62.53 1kfi n SER 227 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1kfi s ASN 228 N -1.33 5.13 0.33 6.43 3.84 -0.63 -4.98 114.94 123.73 1kfi s ASN 228 Ca 0.54 -1.08 0.12 0.00 0.21 0.00 0.00 52.86 52.64 1kfi s ASN 228 Cb 0.44 -1.82 1.02 0.00 -0.55 0.00 0.00 41.25 40.34 1kfi s ASN 228 CO 0.11 -0.28 1.63 0.07 -2.79 0.00 0.00 177.10 175.85 1kfi h LYS 229 N 8.16 0.19 0.00 0.43 2.10 -1.88 0.48 116.57 126.05 1kfi h LYS 229 Ca -0.25 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1kfi h LYS 229 Cb 1.09 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1kfi h LYS 229 CO 0.58 0.13 0.00 -0.44 -2.00 0.00 0.00 179.45 177.72 1kfi h ASP 230 N 0.20 0.00 -3.40 7.07 5.19 -1.94 -3.44 116.42 120.10 1kfi h ASP 230 Ca 0.70 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.57 1kfi h ASP 230 Cb 1.62 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.10 1kfi h ASP 230 CO -0.69 0.00 0.21 0.12 -3.12 0.00 0.00 179.24 175.76 1kfi s PHE 231 N -3.53 3.65 0.19 4.55 5.36 0.17 -4.85 117.98 123.52 1kfi s PHE 231 Ca 0.02 1.47 0.11 0.00 -0.96 0.00 0.00 56.93 57.57 1kfi s PHE 231 Cb 0.09 -2.93 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 1kfi s PHE 231 CO 0.48 0.10 -0.22 -1.12 -1.46 0.00 0.00 175.22 173.00 1kfi s SER 232 N 0.67 3.24 -0.09 6.13 0.01 -1.26 -4.88 113.70 117.52 1kfi s SER 232 Ca 0.43 -0.88 -0.18 0.00 1.31 0.00 0.00 55.95 56.63 1kfi s SER 232 Cb -0.20 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 65.84 1kfi s SER 232 CO 0.23 0.07 0.44 0.12 0.41 0.00 0.00 173.24 174.51 1kfi s PHE 233 N -1.85 -0.41 -0.13 2.43 2.19 -1.26 -2.83 117.98 116.13 1kfi s PHE 233 Ca 0.20 0.85 -0.07 0.00 0.33 0.00 0.00 56.93 58.24 1kfi s PHE 233 Cb -0.07 0.19 0.05 0.00 -1.31 0.00 0.00 43.02 41.88 1kfi s PHE 233 CO 0.09 -0.37 0.30 0.50 1.83 0.00 0.00 175.22 177.58 1kfi s ARG 234 N -0.62 0.28 -0.11 10.12 6.06 -0.68 -4.57 118.95 129.42 1kfi s ARG 234 Ca -0.07 0.60 -0.01 0.00 -2.50 0.00 0.00 55.73 53.75 1kfi s ARG 234 Cb -0.03 -0.06 0.03 0.00 0.06 0.00 0.00 34.95 34.94 1kfi s ARG 234 CO 0.04 -0.15 -0.06 0.12 -2.50 0.00 0.00 175.30 172.74 1kfi s PHE 235 N 1.19 1.40 -0.31 5.12 5.36 0.74 -2.10 117.98 129.38 1kfi s PHE 235 Ca -0.08 -0.70 -0.11 0.00 -0.96 0.00 0.00 56.93 55.07 1kfi s PHE 235 Cb -0.09 -1.19 -0.03 0.00 -0.34 0.00 0.00 43.02 41.38 1kfi s PHE 235 CO -0.09 -0.50 0.20 0.34 -1.46 0.00 0.00 175.22 173.71 1kfi s ASP 236 N 1.74 5.92 0.00 6.13 -1.08 -0.29 -0.38 116.67 128.71 1kfi s ASP 236 Ca 0.05 -0.31 0.27 0.00 -0.52 0.00 0.00 52.55 52.03 1kfi s ASP 236 Cb -0.13 -2.10 0.78 0.00 -1.46 0.00 0.00 42.92 40.01 1kfi s ASP 236 CO -0.08 -0.17 1.58 0.61 0.52 0.00 0.00 175.17 177.64 1kfi n GLY 237 N 5.06 -0.39 3.57 2.66 0.00 0.18 -2.31 105.19 113.96 1kfi n GLY 237 Ca -0.13 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1kfi n GLY 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kfi n MET 238 N -0.37 -3.63 -2.17 1.61 0.00 -1.15 -0.64 117.12 110.78 1kfi n MET 238 Ca 0.14 0.48 -0.18 0.00 0.00 0.00 0.00 57.70 58.13 1kfi n MET 238 Cb 0.36 -5.21 -0.02 0.00 0.00 0.00 0.00 33.22 28.34 1kfi n MET 238 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1kfi n HIS 239 N -4.11 -0.68 -4.06 2.03 8.25 0.31 -4.65 115.22 112.31 1kfi n HIS 239 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 1kfi n HIS 239 Cb 0.53 -3.50 -0.02 0.00 1.12 0.00 0.00 29.99 28.12 1kfi n HIS 239 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kfi n GLY 240 N -0.95 3.14 0.00 -1.41 0.00 0.19 -1.60 105.19 104.56 1kfi n GLY 240 Ca -0.21 -2.29 0.01 0.00 0.00 0.00 0.00 46.02 43.53 1kfi n GLY 240 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1kfi n VAL 241 N -1.27 1.37 0.32 1.61 3.14 -0.90 -1.54 118.33 121.05 1kfi n VAL 241 Ca -0.07 0.34 0.14 0.00 -2.96 0.00 0.00 64.34 61.80 1kfi n VAL 241 Cb 0.47 -1.31 0.45 0.00 -1.06 0.00 0.00 33.84 32.39 1kfi n VAL 241 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1kfi h ALA 242 N 2.09 1.00 0.22 1.55 0.00 -1.83 -3.33 119.26 118.95 1kfi h ALA 242 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kfi h ALA 242 Cb 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1kfi h ALA 242 CO 0.00 0.00 -0.41 0.78 0.00 0.00 0.00 179.25 179.62 1kfi h GLY 243 N 3.04 -1.17 -0.27 0.00 0.00 -1.46 0.94 103.07 104.14 1kfi h GLY 243 Ca 0.00 0.59 0.14 0.00 0.00 0.00 0.00 47.33 48.06 1kfi h GLY 243 CO 0.00 -0.33 -0.10 -2.55 0.00 0.00 0.00 176.54 173.56 1kfi h PRO 244 N -0.68 0.04 -0.61 4.80 0.11 -1.70 0.63 132.00 134.59 1kfi h PRO 244 Ca -0.02 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1kfi h PRO 244 Cb 0.64 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 1kfi h PRO 244 CO -0.16 0.03 0.16 1.88 -0.21 0.00 0.00 178.00 179.70 1kfi h TYR 245 N 0.04 0.98 -0.20 0.65 -1.99 -1.68 -0.19 116.97 114.58 1kfi h TYR 245 Ca 0.34 -0.10 -0.10 0.00 2.00 0.00 0.00 58.73 60.87 1kfi h TYR 245 Cb 0.54 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.98 1kfi h TYR 245 CO -0.48 0.80 -0.27 0.00 -0.00 0.00 0.00 178.16 178.22 1kfi h ALA 246 N 1.26 0.30 -0.40 3.88 0.00 0.13 -0.06 119.26 124.38 1kfi h ALA 246 Ca 0.20 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1kfi h ALA 246 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1kfi h ALA 246 CO -0.00 0.29 0.20 0.87 0.00 0.00 0.00 179.25 180.61 1kfi h LYS 247 N 0.20 0.56 -0.08 0.00 1.57 0.45 0.24 116.57 119.51 1kfi h LYS 247 Ca 0.02 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1kfi h LYS 247 Cb 0.84 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1kfi h LYS 247 CO 0.06 0.48 -0.14 1.25 -0.57 0.00 0.00 179.45 180.53 1kfi h HIS 248 N 0.50 0.31 -0.00 -1.35 2.76 -1.06 0.99 115.15 117.30 1kfi h HIS 248 Ca 0.14 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1kfi h HIS 248 Cb 0.09 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1kfi h HIS 248 CO -0.02 0.74 -0.03 0.82 -1.30 0.00 0.00 177.93 178.14 1kfi h ILE 249 N -0.21 1.58 -0.02 6.26 2.04 -1.02 -1.48 117.51 124.67 1kfi h ILE 249 Ca 0.01 -1.75 -0.25 0.00 1.00 0.00 0.00 64.86 63.87 1kfi h ILE 249 Cb 0.71 2.76 0.01 0.00 -0.74 0.00 0.00 36.82 39.56 1kfi h ILE 249 CO 0.03 0.46 -0.98 -0.26 0.00 0.00 0.00 178.15 177.40 1kfi h PHE 250 N -0.70 0.92 0.00 1.37 0.04 -0.68 -2.31 116.94 115.58 1kfi h PHE 250 Ca -0.00 -0.49 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1kfi h PHE 250 Cb 0.77 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.81 1kfi h PHE 250 CO 0.18 1.32 0.00 0.41 -0.60 0.00 0.00 178.31 179.62 1kfi n GLY 251 N 1.00 1.54 0.34 -1.45 0.00 0.30 0.14 105.19 107.05 1kfi n GLY 251 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1kfi n GLY 251 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kfi n THR 252 N 0.00 -0.41 0.05 2.61 -1.04 -0.91 0.48 114.28 115.06 1kfi n THR 252 Ca 0.00 2.15 -0.22 0.00 -2.04 0.00 0.00 64.05 63.94 1kfi n THR 252 Cb 0.00 -3.11 -0.15 0.00 -1.82 0.00 0.00 70.33 65.25 1kfi n THR 252 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1kfi h LEU 253 N 0.00 0.53 0.00 -4.42 3.38 -1.33 -3.40 115.31 110.08 1kfi h LEU 253 Ca 0.57 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1kfi h LEU 253 Cb 1.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1kfi h LEU 253 CO -0.93 1.79 -1.92 0.18 0.09 0.00 0.00 178.44 177.65 1kfi n LEU 254 N -3.54 0.08 0.00 1.67 4.77 -0.87 -4.94 117.00 114.17 1kfi n LEU 254 Ca -0.27 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1kfi n LEU 254 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 1kfi n LEU 254 CO 0.48 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1kfi n GLY 255 N 1.28 0.81 3.69 -0.72 0.00 0.18 -4.78 105.19 105.65 1kfi n GLY 255 Ca -0.03 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1kfi n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfi s SER 257 N -2.79 5.16 0.36 0.00 1.04 -1.26 -4.66 113.70 111.56 1kfi s SER 257 Ca 0.66 0.77 0.06 0.00 0.48 0.00 0.00 55.95 57.92 1kfi s SER 257 Cb -0.22 -1.54 0.69 0.00 0.10 0.00 0.00 66.02 65.06 1kfi s SER 257 CO 0.57 -1.42 1.91 0.11 0.98 0.00 0.00 173.24 175.39 1kfi h LYS 258 N -0.57 0.43 0.00 4.02 6.56 -1.95 -1.33 116.57 123.74 1kfi h LYS 258 Ca -0.45 -0.09 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1kfi h LYS 258 Cb 1.28 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.88 1kfi h LYS 258 CO 0.62 0.47 0.00 -0.85 -2.06 0.00 0.00 179.45 177.64 1kfi n GLU 259 N -4.30 0.03 0.07 3.15 0.28 -1.26 -2.85 120.64 115.77 1kfi n GLU 259 Ca 0.01 0.14 0.13 0.00 -0.16 0.00 0.00 57.16 57.28 1kfi n GLU 259 Cb 0.23 -1.55 0.47 0.00 1.43 0.00 0.00 31.44 32.03 1kfi n GLU 259 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1kfi n SER 260 N -1.61 0.55 -4.22 -1.84 7.64 -0.50 -4.71 113.62 108.94 1kfi n SER 260 Ca 0.05 0.55 -0.35 0.00 1.01 0.00 0.00 58.87 60.14 1kfi n SER 260 Cb 0.28 -0.70 -0.14 0.00 -1.01 0.00 0.00 64.21 62.64 1kfi n SER 260 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1kfi s LEU 261 N -4.04 3.20 -0.03 -3.43 1.43 -1.13 -0.18 118.68 114.49 1kfi s LEU 261 Ca 0.12 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1kfi s LEU 261 Cb 0.14 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 1kfi s LEU 261 CO 0.58 -0.12 -0.07 -0.76 0.23 0.00 0.00 176.35 176.21 1kfi s LEU 262 N 1.35 3.18 -1.48 1.79 1.43 0.49 -4.64 118.68 120.79 1kfi s LEU 262 Ca 0.01 -0.08 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 1kfi s LEU 262 Cb -0.16 -1.76 0.11 0.00 0.03 0.00 0.00 46.19 44.40 1kfi s LEU 262 CO -0.04 0.32 0.70 0.59 0.23 0.00 0.00 176.35 178.15 1kfi n ASN 263 N 1.88 -3.82 -0.92 2.29 5.03 -1.26 -0.65 115.26 117.80 1kfi n ASN 263 Ca -0.17 -0.69 0.06 0.00 0.87 0.00 0.00 54.58 54.65 1kfi n ASN 263 Cb 0.53 -3.12 0.20 0.00 -1.02 0.00 0.00 39.78 36.36 1kfi n ASN 263 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kfi s ASP 265 N -0.83 5.91 0.42 0.00 1.11 -1.26 -4.03 116.67 117.99 1kfi s ASP 265 Ca 0.29 -0.98 -0.25 0.00 0.18 0.00 0.00 52.55 51.78 1kfi s ASP 265 Cb 0.17 -2.09 -0.10 0.00 1.07 0.00 0.00 42.92 41.97 1kfi s ASP 265 CO 0.16 -0.43 1.14 -2.65 1.18 0.00 0.00 175.17 174.57 1kfi n PRO 266 N 5.07 1.61 -4.11 8.23 -0.02 -1.26 -4.49 135.00 140.04 1kfi n PRO 266 Ca -0.11 0.58 -0.18 0.00 -2.02 0.00 0.00 63.50 61.76 1kfi n PRO 266 Cb 0.46 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.58 1kfi n PRO 266 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1kfi s SER 267 N -0.65 0.72 0.00 2.55 0.15 -0.63 -4.96 113.70 110.88 1kfi s SER 267 Ca 0.62 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1kfi s SER 267 Cb -0.54 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1kfi s SER 267 CO 0.57 -0.03 0.88 -1.84 1.20 0.00 0.00 173.24 174.02 1kfi n GLU 268 N 3.78 0.00 0.00 5.44 0.28 -1.25 -0.73 120.64 128.15 1kfi n GLU 268 Ca -0.23 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1kfi n GLU 268 Cb 0.52 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1kfi n GLU 268 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1kfi n ASP 269 N -1.38 0.55 -1.15 -1.84 3.85 -1.26 0.21 116.55 115.52 1kfi n ASP 269 Ca 0.00 -1.20 -0.15 0.00 -0.71 0.00 0.00 54.79 52.73 1kfi n ASP 269 Cb 0.02 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 39.73 1kfi n ASP 269 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1kfi n PHE 270 N -0.10 0.00 -2.58 2.11 3.72 0.09 -2.67 117.46 118.03 1kfi n PHE 270 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1kfi n PHE 270 Cb 0.31 -2.74 0.01 0.00 -0.94 0.00 0.00 39.48 36.12 1kfi n PHE 270 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfi n GLY 271 N -0.87 0.56 4.47 1.37 0.00 -1.26 -3.80 105.19 105.66 1kfi n GLY 271 Ca -0.15 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1kfi n GLY 271 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfi n GLY 272 N -0.84 1.44 0.75 -0.02 0.00 -1.09 -4.95 105.19 100.49 1kfi n GLY 272 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1kfi n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kfi n GLY 273 N -0.65 -1.08 3.43 -0.02 0.00 -1.25 -5.03 105.19 100.59 1kfi n GLY 273 Ca 0.00 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1kfi n GLY 273 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kfi s HIS 274 N -1.49 3.23 -0.63 1.61 0.09 -1.26 -4.71 115.29 112.12 1kfi s HIS 274 Ca 0.15 -0.71 -0.05 0.00 -0.00 0.00 0.00 55.06 54.44 1kfi s HIS 274 Cb -0.00 -2.46 -0.11 0.00 -0.00 0.00 0.00 32.58 30.01 1kfi s HIS 274 CO 0.10 -0.56 2.41 -0.35 -0.00 0.00 0.00 174.74 176.34 1kfi n PRO 275 N 5.04 1.97 -4.03 8.40 -0.04 -1.24 -4.73 135.00 140.38 1kfi n PRO 275 Ca -0.12 -1.22 -0.31 0.00 -0.04 0.00 0.00 63.50 61.81 1kfi n PRO 275 Cb 0.47 -2.24 -0.16 0.00 -0.04 0.00 0.00 33.50 31.53 1kfi n PRO 275 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1kfi s ASP 276 N 2.80 2.88 -0.37 3.54 2.15 -1.26 -0.74 116.67 125.68 1kfi s ASP 276 Ca 0.45 -0.58 -0.28 0.00 0.43 0.00 0.00 52.55 52.57 1kfi s ASP 276 Cb 0.16 -1.23 0.02 0.00 -0.30 0.00 0.00 42.92 41.56 1kfi s ASP 276 CO -0.02 -0.06 1.07 -2.16 -0.17 0.00 0.00 175.17 173.82 1kfi s PRO 277 N 1.44 3.94 0.11 4.34 0.04 -1.26 -4.35 135.00 139.26 1kfi s PRO 277 Ca 0.04 0.86 -0.25 0.00 0.04 0.00 0.00 61.00 61.69 1kfi s PRO 277 Cb -0.13 -3.79 0.08 0.00 0.04 0.00 0.00 34.50 30.70 1kfi s PRO 277 CO -0.11 -1.03 1.11 0.54 0.04 0.00 0.00 177.00 177.55 1kfi s ASN 278 N 1.89 -0.05 0.43 6.66 2.20 -1.26 -4.77 114.94 120.05 1kfi s ASN 278 Ca 0.45 -0.44 0.16 0.00 -0.94 0.00 0.00 52.86 52.08 1kfi s ASN 278 Cb -0.11 0.38 1.06 0.00 -2.00 0.00 0.00 41.25 40.58 1kfi s ASN 278 CO 0.20 -0.73 1.93 -0.07 -2.94 0.00 0.00 177.10 175.49 1kfi h LEU 279 N 2.00 0.37 0.00 3.54 3.38 -1.92 -2.84 115.31 119.84 1kfi h LEU 279 Ca -0.26 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1kfi h LEU 279 Cb 1.21 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1kfi h LEU 279 CO 0.32 0.20 -0.37 0.71 0.09 0.00 0.00 178.44 179.38 1kfi h THR 280 N 0.40 0.72 0.00 0.22 1.35 -1.97 -3.33 112.91 110.30 1kfi h THR 280 Ca 0.35 -1.64 -0.04 0.00 -0.55 0.00 0.00 66.41 64.52 1kfi h THR 280 Cb 0.79 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1kfi h THR 280 CO -0.11 0.24 -0.20 1.88 -0.25 0.00 0.00 175.52 177.09 1kfi h TYR 281 N -1.00 0.00 -1.05 4.73 0.05 -1.78 -2.54 116.97 115.38 1kfi h TYR 281 Ca -0.07 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.05 1kfi h TYR 281 Cb 0.67 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 38.09 1kfi h TYR 281 CO 0.06 0.20 0.48 0.00 -1.05 0.00 0.00 178.16 177.85 1kfi n ALA 282 N -2.36 6.04 -0.18 3.88 0.00 -1.07 -4.79 120.51 122.03 1kfi n ALA 282 Ca -0.02 -3.63 -0.01 0.00 0.00 0.00 0.00 53.44 49.79 1kfi n ALA 282 Cb 0.29 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.37 1kfi n ALA 282 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1kfi h HIS 283 N 2.14 -0.13 -0.74 0.00 2.07 -1.56 0.21 115.15 117.14 1kfi h HIS 283 Ca 0.55 0.04 0.04 0.00 -2.85 0.00 0.00 60.37 58.15 1kfi h HIS 283 Cb 0.90 0.15 -0.05 0.00 2.57 0.00 0.00 27.41 30.98 1kfi h HIS 283 CO 1.27 -0.18 0.45 -0.44 -3.07 0.00 0.00 177.93 175.97 1kfi h ASP 284 N 0.07 0.72 -0.48 3.10 3.32 -1.88 1.37 116.42 122.64 1kfi h ASP 284 Ca 0.28 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1kfi h ASP 284 Cb 0.44 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1kfi h ASP 284 CO -0.51 0.48 0.26 0.25 -1.72 0.00 0.00 179.24 178.00 1kfi h LEU 285 N 0.86 0.60 -0.88 1.55 7.12 -1.74 0.19 115.31 123.01 1kfi h LEU 285 Ca 0.31 -0.09 -0.03 0.00 0.13 0.00 0.00 57.88 58.20 1kfi h LEU 285 Cb 0.09 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.03 1kfi h LEU 285 CO -0.14 0.52 0.40 0.58 -0.13 0.00 0.00 178.44 179.67 1kfi h VAL 286 N 0.63 1.26 0.43 1.05 2.07 0.11 -1.66 116.25 120.14 1kfi h VAL 286 Ca 0.17 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1kfi h VAL 286 Cb 0.06 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1kfi h VAL 286 CO -0.03 0.31 -0.21 -0.08 0.02 0.00 0.00 177.57 177.59 1kfi h GLU 287 N 1.19 -0.56 -1.08 1.57 4.81 0.22 -1.71 114.58 119.02 1kfi h GLU 287 Ca 0.29 0.04 0.29 0.00 -0.13 0.00 0.00 59.36 59.85 1kfi h GLU 287 Cb 0.12 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.54 1kfi h GLU 287 CO -0.04 -0.26 0.71 -0.07 -0.73 0.00 0.00 179.01 178.62 1kfi h LEU 288 N -0.84 0.36 -1.95 1.64 3.38 -0.39 0.70 115.31 118.22 1kfi h LEU 288 Ca -0.06 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1kfi h LEU 288 Cb 0.55 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1kfi h LEU 288 CO 0.10 0.05 0.00 0.18 0.09 0.00 0.00 178.44 178.85 1kfi n LEU 289 N -4.57 2.87 -3.89 1.67 4.32 -0.64 -4.07 117.00 112.68 1kfi n LEU 289 Ca 0.26 -1.33 -0.39 0.00 -0.02 0.00 0.00 56.01 54.53 1kfi n LEU 289 Cb 0.98 -0.28 0.03 0.00 -1.62 0.00 0.00 43.42 42.53 1kfi n LEU 289 CO 0.27 0.67 -0.13 -0.67 -1.22 0.00 0.00 177.39 176.31 1kfi n ASP 290 N 1.08 -4.47 0.08 -1.43 4.64 0.25 -0.24 116.55 116.46 1kfi n ASP 290 Ca 0.18 -1.16 0.01 0.00 -1.38 0.00 0.00 54.79 52.44 1kfi n ASP 290 Cb 0.49 -2.51 0.32 0.00 -1.04 0.00 0.00 41.12 38.38 1kfi n ASP 290 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1kfi h ILE 291 N -2.26 1.22 -0.39 5.18 1.08 -1.73 -2.08 117.51 118.53 1kfi h ILE 291 Ca -0.69 -0.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.80 1kfi h ILE 291 Cb 1.38 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.41 1kfi h ILE 291 CO 0.51 0.31 0.00 1.41 -0.69 0.00 0.00 178.15 179.68 1kfi n HIS 292 N -4.21 0.91 -4.07 1.37 8.25 -1.26 -4.72 115.22 111.49 1kfi n HIS 292 Ca -0.00 -0.36 -0.32 0.00 -0.26 0.00 0.00 57.72 56.77 1kfi n HIS 292 Cb 0.32 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 1kfi n HIS 292 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1kfi n LYS 293 N 0.58 -4.04 -1.08 -0.41 5.02 -0.78 -4.88 118.16 112.57 1kfi n LYS 293 Ca 0.16 0.46 -0.23 0.00 -2.02 0.00 0.00 58.31 56.67 1kfi n LYS 293 Cb 0.59 -5.16 0.12 0.00 -0.02 0.00 0.00 35.03 30.56 1kfi n LYS 293 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1kfi n LYS 294 N -4.49 2.16 -3.91 1.97 5.02 -1.26 -4.94 118.16 112.71 1kfi n LYS 294 Ca 0.00 -2.59 -0.10 0.00 -2.02 0.00 0.00 58.31 53.60 1kfi n LYS 294 Cb 0.53 -2.01 -0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1kfi n LYS 294 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1kfi s LYS 295 N -2.90 2.06 0.32 1.97 -0.14 -1.26 -5.13 119.74 114.66 1kfi s LYS 295 Ca 0.50 -1.49 -0.28 0.00 -1.36 0.00 0.00 55.97 53.33 1kfi s LYS 295 Cb 0.41 0.56 -0.10 0.00 -1.68 0.00 0.00 37.83 37.02 1kfi s LYS 295 CO 0.06 -0.92 1.19 -0.51 -0.76 0.00 0.00 175.35 174.41 1kfi s ASP 296 N -3.11 6.95 0.00 2.83 1.11 -1.26 -5.00 116.67 118.21 1kfi s ASP 296 Ca 0.20 2.45 -0.04 0.00 0.18 0.00 0.00 52.55 55.34 1kfi s ASP 296 Cb -0.03 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.30 1kfi s ASP 296 CO 0.14 -0.38 0.98 -0.37 1.18 0.00 0.00 175.17 176.72 1kfi h VAL 297 N 2.95 0.00 0.00 -1.27 -1.51 -1.99 -3.18 116.25 111.25 1kfi h VAL 297 Ca -0.48 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1kfi h VAL 297 Cb 1.22 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1kfi h VAL 297 CO 0.66 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.61 1kfi n GLY 298 N -0.85 -0.04 0.06 5.19 0.00 -1.26 -1.70 105.19 106.59 1kfi n GLY 298 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1kfi n GLY 298 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfi n THR 299 N -0.29 0.76 -2.54 2.61 -2.24 -1.20 -4.99 114.28 106.39 1kfi n THR 299 Ca 0.00 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.85 1kfi n THR 299 Cb 0.00 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.66 1kfi n THR 299 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1kfi s VAL 300 N -2.41 3.97 0.58 2.28 1.01 -0.69 -5.01 120.40 120.13 1kfi s VAL 300 Ca -0.06 1.68 -0.19 0.00 0.00 0.00 0.00 61.98 63.41 1kfi s VAL 300 Cb 0.05 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 1kfi s VAL 300 CO 0.54 0.28 0.81 -2.65 0.00 0.00 0.00 175.10 174.07 1kfi n PRO 301 N 2.48 0.78 0.07 2.72 -0.02 -1.26 -4.92 135.00 134.85 1kfi n PRO 301 Ca 0.03 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 1kfi n PRO 301 Cb 0.47 -1.99 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1kfi n PRO 301 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1kfi h GLN 302 N 0.45 0.36 -4.55 -0.52 5.75 -1.89 -3.34 115.11 111.38 1kfi h GLN 302 Ca -0.47 -0.41 -0.35 0.00 -0.15 0.00 0.00 58.65 57.27 1kfi h GLN 302 Cb 1.38 0.12 -0.28 0.00 1.07 0.00 0.00 27.48 29.77 1kfi h GLN 302 CO 0.50 1.09 -0.76 0.12 -2.65 0.00 0.00 178.83 177.13 1kfi s PHE 303 N -3.19 0.66 -0.06 3.99 5.36 -1.13 -2.03 117.98 121.57 1kfi s PHE 303 Ca -0.05 -0.16 -0.07 0.00 -0.96 0.00 0.00 56.93 55.69 1kfi s PHE 303 Cb 0.09 -0.42 0.02 0.00 -0.34 0.00 0.00 43.02 42.37 1kfi s PHE 303 CO 0.86 -0.01 0.19 0.20 -1.46 0.00 0.00 175.22 175.00 1kfi s GLY 304 N -0.31 -0.12 0.07 13.12 0.00 0.51 -1.69 107.32 118.90 1kfi s GLY 304 Ca 0.02 0.46 -0.11 0.00 0.00 0.00 0.00 44.72 45.09 1kfi s GLY 304 CO -0.00 0.37 0.24 0.00 0.00 0.00 0.00 173.10 173.71 1kfi s ALA 305 N -0.11 -0.44 0.01 3.20 0.00 -0.89 0.12 121.76 123.64 1kfi s ALA 305 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 1kfi s ALA 305 Cb -0.02 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1kfi s ALA 305 CO 0.01 -0.47 0.08 0.00 0.00 0.00 0.00 175.76 175.37 1kfi s ALA 306 N -3.31 -0.15 0.07 0.00 0.00 -0.98 -1.13 121.76 116.26 1kfi s ALA 306 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 51.69 1kfi s ALA 306 Cb 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1kfi s ALA 306 CO -0.08 -0.21 -0.15 0.00 0.00 0.00 0.00 175.76 175.31 1kfi s ASP 308 N -1.63 1.05 0.24 0.00 3.84 -1.22 -4.43 116.67 114.52 1kfi s ASP 308 Ca 0.00 0.65 -0.11 0.00 -0.00 0.00 0.00 52.55 53.09 1kfi s ASP 308 Cb -0.10 -0.92 0.33 0.00 -1.38 0.00 0.00 42.92 40.86 1kfi s ASP 308 CO 0.02 -4.05 1.59 1.23 -0.00 0.00 0.00 175.17 173.97 1kfi h GLY 309 N -2.53 0.55 -3.16 2.12 0.00 -1.14 -0.94 103.07 97.97 1kfi h GLY 309 Ca -0.45 0.28 -0.24 0.00 0.00 0.00 0.00 47.33 46.91 1kfi h GLY 309 CO 0.36 -0.30 0.30 2.09 0.00 0.00 0.00 176.54 178.99 1kfi n ASP 310 N -5.52 3.75 -1.86 0.19 5.75 -1.26 -2.12 116.55 115.48 1kfi n ASP 310 Ca 0.11 -2.95 -0.08 0.00 -0.01 0.00 0.00 54.79 51.86 1kfi n ASP 310 Cb 0.41 -0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 39.78 1kfi n ASP 310 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1kfi n ALA 311 N -0.28 -0.49 0.07 2.12 0.00 -0.36 -2.69 120.51 118.87 1kfi n ALA 311 Ca 0.34 0.10 -0.19 0.00 0.00 0.00 0.00 53.44 53.69 1kfi n ALA 311 Cb 1.17 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.42 1kfi n ALA 311 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1kfi h ASP 312 N 0.00 0.47 -1.59 0.00 1.82 -1.85 -1.95 116.42 113.32 1kfi h ASP 312 Ca -0.18 -0.66 -0.51 0.00 -0.39 0.00 0.00 57.03 55.30 1kfi h ASP 312 Cb 0.84 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.65 1kfi h ASP 312 CO 0.24 1.55 -0.41 -0.13 -1.61 0.00 0.00 179.24 178.87 1kfi s ARG 313 N -2.61 2.50 -0.05 0.28 0.52 -1.26 -3.44 118.95 114.88 1kfi s ARG 313 Ca -0.11 -1.56 -0.21 0.00 -0.52 0.00 0.00 55.73 53.33 1kfi s ARG 313 Cb 0.06 -2.31 0.04 0.00 0.52 0.00 0.00 34.95 33.26 1kfi s ARG 313 CO 0.86 -0.13 0.47 0.54 0.02 0.00 0.00 175.30 177.06 1kfi s ASN 314 N -4.06 -0.41 -0.07 0.23 4.22 0.88 -3.40 114.94 112.34 1kfi s ASN 314 Ca 0.46 0.45 0.03 0.00 -2.14 0.00 0.00 52.86 51.66 1kfi s ASN 314 Cb -0.02 0.50 0.01 0.00 1.28 0.00 0.00 41.25 43.01 1kfi s ASN 314 CO 0.27 -0.47 -0.15 -0.32 -2.04 0.00 0.00 177.10 174.38 1kfi s MET 315 N -1.06 1.94 -0.18 3.55 1.75 -0.69 -4.52 119.30 120.10 1kfi s MET 315 Ca -0.11 -0.54 -0.04 0.00 -1.25 0.00 0.00 55.69 53.75 1kfi s MET 315 Cb -0.03 -1.59 -0.02 0.00 2.84 0.00 0.00 34.83 36.03 1kfi s MET 315 CO 0.06 0.11 -0.02 0.42 -0.65 0.00 0.00 175.02 174.93 1kfi s ILE 316 N 0.44 3.87 -0.02 10.11 1.09 -1.26 -2.32 121.20 133.11 1kfi s ILE 316 Ca -0.13 -0.35 0.06 0.00 -1.10 0.00 0.00 60.65 59.13 1kfi s ILE 316 Cb -0.15 -2.72 -0.01 0.00 -1.06 0.00 0.00 42.46 38.52 1kfi s ILE 316 CO 0.04 0.46 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.39 1kfi s LEU 317 N 0.68 2.02 0.56 2.97 1.43 0.32 -1.90 118.68 124.75 1kfi s LEU 317 Ca -0.01 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1kfi s LEU 317 Cb -0.14 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.09 1kfi s LEU 317 CO 0.02 0.23 0.57 -0.83 0.23 0.00 0.00 176.35 176.57 1kfi s GLY 318 N -0.34 2.11 -0.15 -3.19 0.00 0.30 -0.37 107.32 105.68 1kfi s GLY 318 Ca 0.05 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 42.86 1kfi s GLY 318 CO 0.00 -1.84 1.67 -1.60 0.00 0.00 0.00 173.10 171.33 1kfi s ARG 319 N -4.45 3.92 -1.51 2.90 3.52 -0.86 -2.30 118.95 120.17 1kfi s ARG 319 Ca 0.45 1.92 -0.13 0.00 -0.13 0.00 0.00 55.73 57.84 1kfi s ARG 319 Cb -0.04 -4.04 0.08 0.00 -1.56 0.00 0.00 34.95 29.40 1kfi s ARG 319 CO 0.28 -1.15 0.91 1.04 -0.81 0.00 0.00 175.30 175.58 1kfi n GLN 320 N 7.50 -5.29 -3.66 5.12 6.02 0.66 -4.87 117.38 122.87 1kfi n GLN 320 Ca 0.19 0.60 -0.07 0.00 -0.01 0.00 0.00 57.00 57.71 1kfi n GLN 320 Cb 0.44 -5.48 -0.08 0.00 1.02 0.00 0.00 30.24 26.14 1kfi n GLN 320 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1kfi s PHE 321 N -3.25 -0.90 -0.29 1.08 5.36 -0.97 -4.85 117.98 114.16 1kfi s PHE 321 Ca 0.62 1.72 -0.11 0.00 -0.96 0.00 0.00 56.93 58.20 1kfi s PHE 321 Cb -0.31 0.44 -0.04 0.00 -0.34 0.00 0.00 43.02 42.77 1kfi s PHE 321 CO 0.77 -0.50 0.19 0.12 -1.46 0.00 0.00 175.22 174.34 1kfi s PHE 322 N 2.29 3.21 -0.51 10.12 5.36 -1.26 0.11 117.98 137.30 1kfi s PHE 322 Ca -0.05 0.01 -0.21 0.00 -0.96 0.00 0.00 56.93 55.72 1kfi s PHE 322 Cb -0.10 -2.39 0.05 0.00 -0.34 0.00 0.00 43.02 40.24 1kfi s PHE 322 CO -0.15 -0.21 0.73 0.08 -1.46 0.00 0.00 175.22 174.20 1kfi s VAL 323 N 1.74 4.72 0.34 3.12 1.01 -0.80 -4.98 120.40 125.55 1kfi s VAL 323 Ca 0.07 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 1kfi s VAL 323 Cb -0.16 -4.37 -0.12 0.00 0.00 0.00 0.00 36.38 31.73 1kfi s VAL 323 CO 0.10 -0.88 1.42 0.35 0.00 0.00 0.00 175.10 176.09 1kfi n THR 324 N 5.82 1.75 -0.32 3.92 -2.24 -1.26 -4.35 114.28 117.59 1kfi n THR 324 Ca -0.03 -0.44 0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1kfi n THR 324 Cb 0.46 -1.77 0.33 0.00 -2.10 0.00 0.00 70.33 67.25 1kfi n THR 324 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1kfi h PRO 325 N 3.19 0.09 -0.63 -0.78 0.11 -1.89 0.25 132.00 132.34 1kfi h PRO 325 Ca -0.48 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1kfi h PRO 325 Cb 1.26 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1kfi h PRO 325 CO 0.67 0.06 0.13 0.77 -0.21 0.00 0.00 178.00 179.42 1kfi h SER 326 N 0.09 0.96 0.38 -2.05 0.02 -1.84 -1.76 113.55 109.35 1kfi h SER 326 Ca 0.61 -0.20 -0.20 0.00 -0.84 0.00 0.00 61.79 61.15 1kfi h SER 326 Cb 1.31 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1kfi h SER 326 CO -0.79 0.94 -0.85 0.44 -1.14 0.00 0.00 176.83 175.43 1kfi h ASP 327 N 0.96 0.43 -0.94 3.07 3.32 -0.97 -2.75 116.42 119.53 1kfi h ASP 327 Ca 0.20 -0.33 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1kfi h ASP 327 Cb 0.37 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1kfi h ASP 327 CO 0.01 1.10 0.62 -1.28 -1.72 0.00 0.00 179.24 177.97 1kfi h SER 328 N 0.21 1.08 0.12 6.45 0.87 -0.61 0.52 113.55 122.18 1kfi h SER 328 Ca -0.05 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1kfi h SER 328 Cb 1.46 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1kfi h SER 328 CO 0.14 0.78 -0.06 0.25 -0.53 0.00 0.00 176.83 177.41 1kfi h LEU 329 N 1.27 -0.14 -0.78 2.23 6.46 -1.28 0.26 115.31 123.34 1kfi h LEU 329 Ca 0.35 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.97 1kfi h LEU 329 Cb -0.13 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1kfi h LEU 329 CO -0.08 -0.03 0.03 0.00 -0.62 0.00 0.00 178.44 177.74 1kfi h ALA 330 N 0.64 0.98 -0.59 1.25 0.00 -1.09 -1.76 119.26 118.68 1kfi h ALA 330 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 1kfi h ALA 330 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1kfi h ALA 330 CO 0.03 0.63 0.06 0.28 0.00 0.00 0.00 179.25 180.25 1kfi h VAL 331 N 0.89 1.26 -0.46 0.00 2.07 0.19 -0.58 116.25 119.62 1kfi h VAL 331 Ca 0.17 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1kfi h VAL 331 Cb 0.48 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1kfi h VAL 331 CO 0.02 0.38 0.15 0.40 0.02 0.00 0.00 177.57 178.55 1kfi h ILE 332 N 0.91 1.22 -0.76 4.57 2.04 -0.72 -2.09 117.51 122.67 1kfi h ILE 332 Ca 0.18 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.34 1kfi h ILE 332 Cb 0.47 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1kfi h ILE 332 CO 0.02 0.26 0.50 0.00 0.00 0.00 0.00 178.15 178.92 1kfi h ALA 333 N 1.01 0.97 0.00 1.87 0.00 -1.07 -1.96 119.26 120.07 1kfi h ALA 333 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1kfi h ALA 333 Cb 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1kfi h ALA 333 CO -0.01 0.36 -0.19 0.00 0.00 0.00 0.00 179.25 179.41 1kfi h ALA 334 N 1.29 1.40 -0.65 0.00 0.00 -0.79 -2.48 119.26 118.02 1kfi h ALA 334 Ca 0.28 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.69 1kfi h ALA 334 Cb -0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.47 1kfi h ALA 334 CO -0.07 0.24 0.26 0.09 0.00 0.00 0.00 179.25 179.77 1kfi n ASN 335 N -3.90 3.13 -0.23 0.00 4.13 -0.80 -4.69 115.26 112.91 1kfi n ASN 335 Ca -0.02 -3.68 0.09 0.00 1.68 0.00 0.00 54.58 52.65 1kfi n ASN 335 Cb 0.28 -0.73 0.36 0.00 -1.54 0.00 0.00 39.78 38.15 1kfi n ASN 335 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1kfi h ALA 336 N 1.08 1.76 0.00 5.41 0.00 -0.92 -1.65 119.26 124.94 1kfi h ALA 336 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1kfi h ALA 336 Cb 2.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1kfi h ALA 336 CO 0.72 0.07 0.00 0.09 0.00 0.00 0.00 179.25 180.13 1kfi n ASN 337 N -4.51 0.00 -0.00 0.00 5.03 -1.26 -0.92 115.26 113.60 1kfi n ASN 337 Ca 0.14 -0.97 0.02 0.00 0.87 0.00 0.00 54.58 54.64 1kfi n ASN 337 Cb 0.34 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.07 1kfi n ASN 337 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1kfi n LEU 338 N -0.67 0.09 -0.06 3.41 4.77 -0.62 -4.83 117.00 119.08 1kfi n LEU 338 Ca 0.05 -0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 55.65 1kfi n LEU 338 Cb 0.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1kfi n LEU 338 CO 0.04 0.02 -0.91 -0.38 -1.33 0.00 0.00 177.39 174.82 1kfi n ILE 339 N -1.39 0.78 -3.10 -0.08 5.41 -0.57 -4.90 119.36 115.51 1kfi n ILE 339 Ca -0.00 -0.15 -0.40 0.00 1.00 0.00 0.00 62.75 63.19 1kfi n ILE 339 Cb 0.09 -1.70 -0.06 0.00 -0.71 0.00 0.00 39.64 37.26 1kfi n ILE 339 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1kfi s PHE 340 N -2.26 3.32 0.53 1.39 0.40 -0.09 -4.94 117.98 116.33 1kfi s PHE 340 Ca -0.18 0.88 0.24 0.00 -0.60 0.00 0.00 56.93 57.26 1kfi s PHE 340 Cb 0.07 -2.84 1.39 0.00 0.51 0.00 0.00 43.02 42.15 1kfi s PHE 340 CO 0.23 -0.27 2.03 1.57 0.70 0.00 0.00 175.22 179.49 1kfi h LYS 341 N 7.72 0.00 0.00 0.44 2.10 -1.91 -1.79 116.57 123.14 1kfi h LYS 341 Ca -0.28 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1kfi h LYS 341 Cb 1.13 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1kfi h LYS 341 CO 0.78 0.00 -0.14 -1.71 -2.00 0.00 0.00 179.45 176.38 1kfi n ASN 342 N -4.35 2.05 -0.39 7.07 5.15 -1.26 -5.11 115.26 118.41 1kfi n ASN 342 Ca 0.06 -3.14 0.02 0.00 -0.60 0.00 0.00 54.58 50.93 1kfi n ASN 342 Cb 0.48 -0.43 -0.01 0.00 -0.53 0.00 0.00 39.78 39.29 1kfi n ASN 342 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1kfi n GLY 343 N -1.25 -1.84 3.73 8.20 0.00 -0.67 -4.86 105.19 108.50 1kfi n GLY 343 Ca 0.15 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.46 1kfi n GLY 343 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kfi s LEU 344 N 0.00 4.34 0.13 0.99 1.02 -1.26 -4.86 118.68 119.04 1kfi s LEU 344 Ca 0.00 1.14 0.18 0.00 0.02 0.00 0.00 54.13 55.47 1kfi s LEU 344 Cb 0.00 -2.99 -0.07 0.00 0.02 0.00 0.00 46.19 43.15 1kfi s LEU 344 CO 0.00 -0.03 0.99 -0.07 0.02 0.00 0.00 176.35 177.26 1kfi h LEU 345 N 6.39 0.00 0.00 1.79 3.38 -1.89 -3.49 115.31 121.50 1kfi h LEU 345 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1kfi h LEU 345 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1kfi h LEU 345 CO 0.74 0.45 0.00 0.61 0.09 0.00 0.00 178.44 180.33 1kfi n GLY 346 N 1.32 2.42 3.07 0.83 0.00 -1.20 -4.59 105.19 107.04 1kfi n GLY 346 Ca -0.06 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1kfi n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfi s ALA 347 N -2.00 0.65 0.04 4.61 0.00 -0.57 -2.59 121.76 121.91 1kfi s ALA 347 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.22 1kfi s ALA 347 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1kfi s ALA 347 CO 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 175.76 175.64 1kfi s ALA 348 N -1.33 1.12 0.05 0.00 0.00 -0.54 -1.36 121.76 119.69 1kfi s ALA 348 Ca -0.08 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1kfi s ALA 348 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1kfi s ALA 348 CO 0.01 0.20 -0.06 -0.98 0.00 0.00 0.00 175.76 174.93 1kfi s ARG 349 N -1.21 0.55 0.61 0.00 1.70 -0.34 -2.50 118.95 117.75 1kfi s ARG 349 Ca 0.00 -0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 54.19 1kfi s ARG 349 Cb -0.08 -0.12 -0.03 0.00 -0.57 0.00 0.00 34.95 34.15 1kfi s ARG 349 CO 0.01 -0.01 1.17 0.45 -1.08 0.00 0.00 175.30 175.84 1kfi s SER 350 N -2.00 5.20 0.21 -2.89 0.15 -1.19 -1.62 113.70 111.55 1kfi s SER 350 Ca -0.05 2.25 -0.10 0.00 0.70 0.00 0.00 55.95 58.76 1kfi s SER 350 Cb -0.05 -2.58 0.20 0.00 -1.71 0.00 0.00 66.02 61.88 1kfi s SER 350 CO -0.02 -1.58 1.83 -0.03 1.20 0.00 0.00 173.24 174.64 1kfi h MET 351 N 0.67 0.76 0.00 5.44 4.05 -0.23 -2.01 114.93 123.61 1kfi h MET 351 Ca -0.49 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 1kfi h MET 351 Cb 1.28 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.91 1kfi h MET 351 CO 0.55 0.51 0.00 -1.35 0.23 0.00 0.00 176.91 176.84 1kfi h PRO 352 N 0.79 0.00 -7.01 0.39 0.11 -1.91 -3.44 132.00 120.92 1kfi h PRO 352 Ca 0.28 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.87 1kfi h PRO 352 Cb 0.08 0.00 0.09 0.00 0.11 0.00 0.00 31.00 31.28 1kfi h PRO 352 CO -0.13 0.00 0.55 0.99 -0.21 0.00 0.00 178.00 179.20 1kfi s THR 353 N -3.58 2.67 0.75 -1.15 2.01 -0.76 -4.91 115.64 110.67 1kfi s THR 353 Ca 0.02 0.52 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 1kfi s THR 353 Cb 0.09 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.38 1kfi s THR 353 CO 0.50 0.01 1.22 -0.94 -0.69 0.00 0.00 174.62 174.73 1kfi s SER 354 N -1.10 3.96 -0.01 3.53 1.04 -1.26 -4.87 113.70 114.98 1kfi s SER 354 Ca 0.65 2.42 0.01 0.00 0.48 0.00 0.00 55.95 59.50 1kfi s SER 354 Cb -0.34 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.23 1kfi s SER 354 CO 0.42 -2.42 0.64 0.61 0.98 0.00 0.00 173.24 173.46 1kfi n GLY 355 N 0.54 1.30 0.36 7.32 0.00 -1.26 -4.15 105.19 109.29 1kfi n GLY 355 Ca 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1kfi n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfi h ALA 356 N 2.25 1.26 -0.98 4.61 0.00 -1.90 -1.04 119.26 123.46 1kfi h ALA 356 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1kfi h ALA 356 Cb 0.53 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1kfi h ALA 356 CO 0.03 0.51 0.65 1.25 0.00 0.00 0.00 179.25 181.68 1kfi h LEU 357 N 1.21 1.11 -0.48 0.00 5.85 -1.82 -2.72 115.31 118.46 1kfi h LEU 357 Ca 0.38 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 59.16 1kfi h LEU 357 Cb -0.01 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.68 1kfi h LEU 357 CO -0.12 0.80 0.06 0.44 -0.34 0.00 0.00 178.44 179.28 1kfi h ASP 358 N 1.31 -0.08 -0.93 1.25 3.45 -1.49 0.11 116.42 120.04 1kfi h ASP 358 Ca 0.36 0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.94 1kfi h ASP 358 Cb -0.13 0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 38.74 1kfi h ASP 358 CO -0.08 -0.01 0.61 0.11 -1.57 0.00 0.00 179.24 178.30 1kfi h LYS 359 N 0.18 1.17 -0.38 3.56 1.79 -1.26 0.91 116.57 122.55 1kfi h LYS 359 Ca 0.24 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.54 1kfi h LYS 359 Cb 0.34 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1kfi h LYS 359 CO -0.35 0.78 -0.15 0.28 -1.08 0.00 0.00 179.45 178.93 1kfi h VAL 360 N 1.21 1.28 -0.77 0.50 2.07 -1.07 -1.52 116.25 117.95 1kfi h VAL 360 Ca 0.35 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1kfi h VAL 360 Cb -0.07 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1kfi h VAL 360 CO -0.09 0.42 0.44 0.00 0.02 0.00 0.00 177.57 178.36 1kfi h ALA 361 N 0.81 0.98 -0.15 1.67 0.00 -0.18 0.18 119.26 122.57 1kfi h ALA 361 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1kfi h ALA 361 Cb 0.69 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1kfi h ALA 361 CO 0.05 0.48 0.03 0.00 0.00 0.00 0.00 179.25 179.81 1kfi h ALA 362 N 1.23 0.20 -0.42 0.00 0.00 -0.73 0.50 119.26 120.04 1kfi h ALA 362 Ca 0.27 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1kfi h ALA 362 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1kfi h ALA 362 CO -0.05 -0.14 -0.27 0.87 0.00 0.00 0.00 179.25 179.66 1kfi h LYS 363 N 0.04 0.93 -0.54 0.00 1.79 -1.04 -3.23 116.57 114.52 1kfi h LYS 363 Ca 0.05 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1kfi h LYS 363 Cb 0.28 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1kfi h LYS 363 CO 0.00 1.09 0.00 0.09 -1.08 0.00 0.00 179.45 179.56 1kfi n ASN 364 N -4.13 3.29 -2.90 0.86 5.03 0.62 -4.96 115.26 113.07 1kfi n ASN 364 Ca -0.01 -1.98 -0.19 0.00 0.87 0.00 0.00 54.58 53.27 1kfi n ASN 364 Cb 0.48 -0.35 0.06 0.00 -1.02 0.00 0.00 39.78 38.94 1kfi n ASN 364 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1kfi n GLY 365 N 1.49 -0.29 3.88 7.41 0.00 -0.15 -5.01 105.19 112.52 1kfi n GLY 365 Ca 0.20 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1kfi n GLY 365 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kfi s ILE 366 N -3.21 5.35 0.04 -0.61 -1.09 -0.02 -5.03 121.20 116.63 1kfi s ILE 366 Ca 0.42 0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 58.73 1kfi s ILE 366 Cb -0.18 -3.53 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 1kfi s ILE 366 CO 0.52 0.45 1.32 -0.75 -1.23 0.00 0.00 174.94 175.25 1kfi s LYS 367 N -1.51 4.34 -0.14 2.79 2.47 -1.26 -4.56 119.74 121.87 1kfi s LYS 367 Ca 0.24 1.91 -0.05 0.00 -1.56 0.00 0.00 55.97 56.50 1kfi s LYS 367 Cb -0.13 -3.43 -0.04 0.00 -1.46 0.00 0.00 37.83 32.77 1kfi s LYS 367 CO 0.13 -0.44 0.05 -1.17 0.16 0.00 0.00 175.35 174.08 1kfi s LEU 368 N 1.70 3.81 -0.13 5.43 1.98 -1.26 -1.51 118.68 128.70 1kfi s LEU 368 Ca 0.62 0.15 0.00 0.00 -2.89 0.00 0.00 54.13 52.01 1kfi s LEU 368 Cb -0.31 -1.93 0.02 0.00 0.66 0.00 0.00 46.19 44.63 1kfi s LEU 368 CO 0.28 0.27 -0.12 -0.36 -1.89 0.00 0.00 176.35 174.53 1kfi s PHE 369 N -0.24 1.89 -0.19 5.38 0.08 -0.47 -4.99 117.98 119.45 1kfi s PHE 369 Ca 0.08 -0.99 -0.07 0.00 0.12 0.00 0.00 56.93 56.06 1kfi s PHE 369 Cb -0.12 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.86 1kfi s PHE 369 CO 0.02 -0.57 0.06 -2.00 -0.10 0.00 0.00 175.22 172.62 1kfi s GLU 370 N 1.43 3.90 0.24 0.44 2.12 -1.26 -1.19 118.70 124.38 1kfi s GLU 370 Ca 0.02 -0.38 0.04 0.00 0.36 0.00 0.00 54.97 55.01 1kfi s GLU 370 Cb -0.13 -3.21 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 1kfi s GLU 370 CO -0.08 0.20 -0.00 0.95 -0.54 0.00 0.00 175.26 175.78 1kfi s THR 371 N 0.57 1.08 0.81 -1.70 -4.23 -0.64 -4.91 115.64 106.63 1kfi s THR 371 Ca 0.03 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 1kfi s THR 371 Cb -0.13 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.41 1kfi s THR 371 CO 0.01 -0.31 1.10 -2.84 -0.54 0.00 0.00 174.62 172.05 1kfi s PRO 372 N -3.86 1.96 -0.10 3.99 0.02 -1.26 0.50 135.00 136.25 1kfi s PRO 372 Ca 0.29 0.65 -0.29 0.00 0.02 0.00 0.00 61.00 61.66 1kfi s PRO 372 Cb 0.06 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.61 1kfi s PRO 372 CO 0.09 -1.71 1.90 0.99 -0.33 0.00 0.00 177.00 177.94 1kfi s THR 373 N -3.14 3.25 0.00 0.99 2.01 -1.26 -4.69 115.64 112.81 1kfi s THR 373 Ca 0.61 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.90 1kfi s THR 373 Cb -0.15 -3.24 0.00 0.00 0.01 0.00 0.00 72.50 69.12 1kfi s THR 373 CO 0.54 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1kfi n GLY 374 N 4.82 0.69 0.35 4.40 0.00 -1.26 -4.98 105.19 109.20 1kfi n GLY 374 Ca 0.22 0.52 0.14 0.00 0.00 0.00 0.00 46.02 46.89 1kfi n GLY 374 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1kfi h TRP 375 N 0.00 0.00 0.00 1.61 4.06 -1.96 0.98 115.95 120.64 1kfi h TRP 375 Ca 0.00 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 1kfi h TRP 375 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1kfi h TRP 375 CO 0.00 0.00 -0.31 0.87 -3.56 0.00 0.00 178.44 175.44 1kfi h LYS 376 N 0.00 0.00 0.00 0.49 6.56 -1.94 -2.58 116.57 119.10 1kfi h LYS 376 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1kfi h LYS 376 Cb 0.97 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.63 1kfi h LYS 376 CO -0.00 0.31 0.00 0.74 -2.06 0.00 0.00 179.45 178.44 1kfi h PHE 377 N 0.00 0.00 0.00 -1.35 -1.00 0.69 -2.78 116.94 112.50 1kfi h PHE 377 Ca -0.00 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.51 1kfi h PHE 377 Cb 0.57 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.09 1kfi h PHE 377 CO 0.00 0.00 -1.58 0.74 -1.61 0.00 0.00 178.31 175.86 1kfi h PHE 378 N 0.00 0.00 -0.53 -0.55 0.05 -1.57 -3.35 116.94 111.00 1kfi h PHE 378 Ca 0.00 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.83 1kfi h PHE 378 Cb 0.54 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.45 1kfi h PHE 378 CO 0.00 0.96 0.29 0.78 -0.18 0.00 0.00 178.31 180.15 1kfi h GLY 379 N 3.46 0.74 1.00 -1.45 0.00 -1.36 0.87 103.07 106.33 1kfi h GLY 379 Ca -0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1kfi h GLY 379 CO 0.08 0.15 0.17 3.43 0.00 0.00 0.00 176.54 180.36 1kfi h ASN 380 N 0.56 0.83 -0.32 0.19 -0.26 -1.71 0.23 115.58 115.09 1kfi h ASN 380 Ca 0.22 -0.21 -0.04 0.00 -0.56 0.00 0.00 56.30 55.71 1kfi h ASN 380 Cb 0.10 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1kfi h ASN 380 CO -0.14 0.82 0.06 -0.07 -1.06 0.00 0.00 177.43 177.05 1kfi h LEU 381 N 0.79 0.56 -0.03 1.61 3.38 -1.56 0.13 115.31 120.20 1kfi h LEU 381 Ca 0.18 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1kfi h LEU 381 Cb 0.30 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1kfi h LEU 381 CO -0.00 0.59 -0.24 0.24 0.09 0.00 0.00 178.44 179.12 1kfi h MET 382 N 0.59 0.21 -0.71 1.13 2.86 -0.32 0.15 114.93 118.84 1kfi h MET 382 Ca 0.13 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1kfi h MET 382 Cb 0.28 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1kfi h MET 382 CO 0.00 0.87 0.47 -0.44 1.06 0.00 0.00 176.91 178.88 1kfi h ASP 383 N -0.38 0.74 0.47 1.22 3.45 -0.33 0.14 116.42 121.73 1kfi h ASP 383 Ca -0.02 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.43 1kfi h ASP 383 Cb 0.93 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 1kfi h ASP 383 CO 0.05 0.51 0.00 0.00 -1.57 0.00 0.00 179.24 178.23 1kfi n ALA 384 N -2.44 2.34 -1.86 3.45 0.00 0.45 -4.89 120.51 117.56 1kfi n ALA 384 Ca 0.09 -0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 1kfi n ALA 384 Cb 0.13 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1kfi n ALA 384 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfi n GLY 385 N 0.95 0.39 0.09 0.00 0.00 0.50 -4.93 105.19 102.19 1kfi n GLY 385 Ca 0.13 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.73 1kfi n GLY 385 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kfi n LEU 386 N -1.33 0.67 -4.02 0.99 4.77 0.50 -4.95 117.00 113.63 1kfi n LEU 386 Ca -0.11 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.06 1kfi n LEU 386 Cb 0.50 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.48 1kfi n LEU 386 CO 0.14 -0.07 -0.30 0.27 -1.33 0.00 0.00 177.39 176.10 1kfi s ILE 387 N -3.29 0.19 0.00 -0.08 -4.36 -1.11 -3.25 121.20 109.30 1kfi s ILE 387 Ca -0.03 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1kfi s ILE 387 Cb 0.10 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.48 1kfi s ILE 387 CO 0.82 -0.86 0.80 -0.46 0.24 0.00 0.00 174.94 175.47 1kfi n ASN 388 N 0.26 0.00 -3.71 4.36 6.94 -1.07 -4.49 115.26 117.55 1kfi n ASN 388 Ca -0.15 -1.63 -0.11 0.00 -0.02 0.00 0.00 54.58 52.66 1kfi n ASN 388 Cb 0.61 -0.13 -0.11 0.00 -2.36 0.00 0.00 39.78 37.79 1kfi n ASN 388 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1kfi s LEU 389 N 0.00 0.09 0.03 -4.53 0.20 -1.23 -3.92 118.68 109.33 1kfi s LEU 389 Ca 0.00 0.87 -0.28 0.00 0.69 0.00 0.00 54.13 55.42 1kfi s LEU 389 Cb 0.00 1.37 0.08 0.00 -0.43 0.00 0.00 46.19 47.21 1kfi s LEU 389 CO 0.00 -0.18 0.68 0.00 -0.29 0.00 0.00 176.35 176.57 1kfi s GLY 391 N -1.91 -0.22 0.02 0.00 0.00 -1.04 0.32 107.32 104.49 1kfi s GLY 391 Ca -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.70 1kfi s GLY 391 CO -0.01 -0.00 0.04 -0.54 0.00 0.00 0.00 173.10 172.59 1kfi s GLU 392 N -3.47 0.45 0.50 2.90 2.02 0.50 -3.17 118.70 118.44 1kfi s GLU 392 Ca 0.11 -0.67 0.29 0.00 0.02 0.00 0.00 54.97 54.72 1kfi s GLU 392 Cb -0.03 0.17 1.58 0.00 0.10 0.00 0.00 34.13 35.95 1kfi s GLU 392 CO 0.03 -0.10 1.87 1.49 0.02 0.00 0.00 175.26 178.57 1kfi h GLU 393 N 4.14 0.00 -1.74 1.61 4.22 -1.88 -2.96 114.58 117.97 1kfi h GLU 393 Ca -0.32 0.00 -0.25 0.00 0.08 0.00 0.00 59.36 58.87 1kfi h GLU 393 Cb 1.19 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 1kfi h GLU 393 CO 0.46 0.00 0.24 -1.13 -2.18 0.00 0.00 179.01 176.40 1kfi n SER 394 N -2.61 6.09 -2.92 1.04 3.41 -1.26 -4.67 113.62 112.70 1kfi n SER 394 Ca -0.02 -2.87 -0.22 0.00 -0.26 0.00 0.00 58.87 55.50 1kfi n SER 394 Cb 0.17 -1.13 0.02 0.00 -0.26 0.00 0.00 64.21 63.02 1kfi n SER 394 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1kfi n PHE 395 N 0.88 -1.77 -5.18 7.33 3.72 -1.13 -4.89 117.46 116.42 1kfi n PHE 395 Ca 0.26 0.41 -0.32 0.00 -0.05 0.00 0.00 57.45 57.75 1kfi n PHE 395 Cb 0.58 -4.20 -0.16 0.00 -0.94 0.00 0.00 39.48 34.76 1kfi n PHE 395 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1kfi s GLY 396 N -2.57 1.35 -0.03 1.37 0.00 -1.15 -0.08 107.32 106.20 1kfi s GLY 396 Ca 0.25 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.82 1kfi s GLY 396 CO 0.31 -0.68 0.24 -1.59 0.00 0.00 0.00 173.10 171.38 1kfi s THR 397 N -0.29 0.05 0.21 0.90 2.01 -1.26 -0.37 115.64 116.89 1kfi s THR 397 Ca 0.01 -0.41 -0.22 0.00 0.31 0.00 0.00 61.69 61.38 1kfi s THR 397 Cb -0.13 -0.49 0.07 0.00 0.01 0.00 0.00 72.50 71.96 1kfi s THR 397 CO 0.02 -0.23 1.00 -0.83 -0.69 0.00 0.00 174.62 173.90 1kfi s GLY 398 N -0.94 0.12 0.34 4.40 0.00 0.15 -1.39 107.32 110.00 1kfi s GLY 398 Ca -0.10 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.33 1kfi s GLY 398 CO 0.02 1.88 0.32 -0.45 0.00 0.00 0.00 173.10 174.87 1kfi s SER 399 N -3.32 1.64 -0.00 1.64 0.15 -1.26 -1.62 113.70 110.92 1kfi s SER 399 Ca 0.20 -1.74 0.04 0.00 0.70 0.00 0.00 55.95 55.15 1kfi s SER 399 Cb -0.03 0.59 0.12 0.00 -1.71 0.00 0.00 66.02 64.99 1kfi s SER 399 CO 0.06 -1.12 1.09 -0.46 1.20 0.00 0.00 173.24 174.01 1kfi n ASN 400 N -1.61 0.79 0.15 5.45 6.94 -1.25 -3.71 115.26 122.02 1kfi n ASN 400 Ca 0.07 -2.01 0.12 0.00 -0.02 0.00 0.00 54.58 52.74 1kfi n ASN 400 Cb 0.62 -0.11 0.51 0.00 -2.36 0.00 0.00 39.78 38.44 1kfi n ASN 400 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1kfi h HIS 401 N 0.81 0.00 -1.66 -2.53 2.07 -1.96 -3.45 115.15 108.42 1kfi h HIS 401 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1kfi h HIS 401 Cb 0.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.19 1kfi h HIS 401 CO 0.10 0.00 0.00 0.44 -3.07 0.00 0.00 177.93 175.40 1kfi n ILE 402 N -2.33 0.00 -2.54 6.12 -5.35 -1.24 -4.92 119.36 109.10 1kfi n ILE 402 Ca 0.02 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.36 1kfi n ILE 402 Cb 0.24 0.00 0.03 0.00 -1.74 0.00 0.00 39.64 38.16 1kfi n ILE 402 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1kfi n ARG 403 N 0.00 2.31 -3.69 6.28 5.12 -1.26 -4.91 116.66 120.51 1kfi n ARG 403 Ca 0.00 -3.80 -0.10 0.00 -1.93 0.00 0.00 57.85 52.02 1kfi n ARG 403 Cb 0.00 -1.77 -0.04 0.00 -1.16 0.00 0.00 32.46 29.49 1kfi n ARG 403 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1kfi s GLU 404 N -3.47 1.29 0.70 5.56 0.41 -1.26 -4.08 118.70 117.85 1kfi s GLU 404 Ca 0.37 -0.80 -0.13 0.00 -0.41 0.00 0.00 54.97 54.00 1kfi s GLU 404 Cb 0.40 0.51 0.02 0.00 -1.78 0.00 0.00 34.13 33.28 1kfi s GLU 404 CO -0.04 -0.54 1.09 0.15 -0.49 0.00 0.00 175.26 175.43 1kfi s LYS 405 N -3.85 2.68 -0.27 1.61 3.01 -1.26 -4.73 119.74 116.94 1kfi s LYS 405 Ca 0.07 1.22 0.00 0.00 -1.01 0.00 0.00 55.97 56.25 1kfi s LYS 405 Cb -0.00 -1.95 0.08 0.00 -1.01 0.00 0.00 37.83 34.95 1kfi s LYS 405 CO -0.06 -1.32 0.03 0.34 0.51 0.00 0.00 175.35 174.85 1kfi s ASP 406 N -3.10 3.90 0.06 2.83 -1.08 -0.48 -4.52 116.67 114.26 1kfi s ASP 406 Ca 0.63 -1.42 -0.34 0.00 -0.52 0.00 0.00 52.55 50.90 1kfi s ASP 406 Cb -0.18 -1.04 -0.19 0.00 -1.46 0.00 0.00 42.92 40.05 1kfi s ASP 406 CO 0.48 -0.33 1.53 1.23 0.52 0.00 0.00 175.17 178.60 1kfi h GLY 407 N 8.00 -1.11 1.15 2.66 0.00 -1.37 -2.16 103.07 110.24 1kfi h GLY 407 Ca -0.14 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1kfi h GLY 407 CO 0.44 -0.40 0.54 -2.22 0.00 0.00 0.00 176.54 174.89 1kfi h ILE 408 N -1.11 1.23 -0.82 2.60 5.03 -1.87 -1.89 117.51 120.67 1kfi h ILE 408 Ca -0.11 -0.46 0.07 0.00 -0.12 0.00 0.00 64.86 64.24 1kfi h ILE 408 Cb 0.82 0.00 -0.06 0.00 -3.03 0.00 0.00 36.82 34.55 1kfi h ILE 408 CO 0.18 0.23 0.50 -0.25 -0.68 0.00 0.00 178.15 178.12 1kfi h TRP 409 N 1.16 0.91 -0.76 1.37 7.01 -1.92 0.35 115.95 124.07 1kfi h TRP 409 Ca 0.31 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.32 1kfi h TRP 409 Cb -0.09 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 26.65 1kfi h TRP 409 CO 0.00 0.44 0.41 0.00 -2.79 0.00 0.00 178.44 176.51 1kfi h ALA 410 N 1.41 0.97 -0.27 2.65 0.00 -0.67 0.26 119.26 123.61 1kfi h ALA 410 Ca 0.37 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1kfi h ALA 410 Cb 0.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1kfi h ALA 410 CO -0.19 0.49 -0.08 0.28 0.00 0.00 0.00 179.25 179.75 1kfi h VAL 411 N 1.05 1.28 -0.15 0.00 2.07 -0.87 -1.53 116.25 118.11 1kfi h VAL 411 Ca 0.27 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.64 1kfi h VAL 411 Cb 0.04 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1kfi h VAL 411 CO -0.04 0.35 -0.09 -0.07 0.02 0.00 0.00 177.57 177.74 1kfi h LEU 412 N 0.28 0.21 0.16 2.57 3.38 -0.02 0.23 115.31 122.12 1kfi h LEU 412 Ca 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1kfi h LEU 412 Cb 0.56 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1kfi h LEU 412 CO 0.03 0.34 -0.08 0.00 0.09 0.00 0.00 178.44 178.82 1kfi h ALA 413 N 1.69 -0.21 -0.37 1.53 0.00 -0.17 -1.30 119.26 120.43 1kfi h ALA 413 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1kfi h ALA 413 Cb 0.31 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1kfi h ALA 413 CO 0.02 -0.53 0.12 -1.49 0.00 0.00 0.00 179.25 177.37 1kfi h TRP 414 N -0.39 0.58 -0.03 0.00 4.06 -0.79 -1.44 115.95 117.96 1kfi h TRP 414 Ca -0.02 -0.06 0.01 0.00 2.06 0.00 0.00 58.89 60.88 1kfi h TRP 414 Cb 0.30 -0.17 -0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1kfi h TRP 414 CO -0.01 0.55 0.04 -0.07 -3.56 0.00 0.00 178.44 175.39 1kfi h LEU 415 N 0.45 0.00 -0.03 -4.49 3.38 -0.53 0.11 115.31 114.20 1kfi h LEU 415 Ca 0.12 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.86 1kfi h LEU 415 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1kfi h LEU 415 CO -0.01 0.00 -1.05 0.74 0.09 0.00 0.00 178.44 178.21 1kfi h THR 416 N 0.00 1.59 -0.25 0.22 2.02 -0.18 -2.02 112.91 114.30 1kfi h THR 416 Ca 0.01 -3.11 -0.07 0.00 0.77 0.00 0.00 66.41 64.01 1kfi h THR 416 Cb 0.10 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 1kfi h THR 416 CO -0.00 0.90 -0.12 0.40 0.37 0.00 0.00 175.52 177.07 1kfi h ILE 417 N 0.05 1.30 -0.63 3.11 2.04 -0.44 -2.83 117.51 120.10 1kfi h ILE 417 Ca -0.06 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1kfi h ILE 417 Cb 1.77 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.39 1kfi h ILE 417 CO 0.16 0.37 0.31 -0.07 0.00 0.00 0.00 178.15 178.92 1kfi h LEU 418 N 0.24 0.82 -0.17 1.44 3.38 -1.33 -1.15 115.31 118.54 1kfi h LEU 418 Ca 0.05 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1kfi h LEU 418 Cb 0.63 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1kfi h LEU 418 CO 0.04 0.71 -0.08 0.00 0.09 0.00 0.00 178.44 179.20 1kfi h ALA 419 N 1.14 0.07 -0.34 1.53 0.00 -1.33 0.19 119.26 120.52 1kfi h ALA 419 Ca 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1kfi h ALA 419 Cb 0.10 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1kfi h ALA 419 CO -0.03 -0.52 0.10 0.45 0.00 0.00 0.00 179.25 179.26 1kfi h HIS 420 N -0.06 0.55 -0.18 0.00 3.86 -1.34 -2.13 115.15 115.85 1kfi h HIS 420 Ca 0.09 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1kfi h HIS 420 Cb 0.20 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1kfi h HIS 420 CO -0.23 0.55 0.02 0.87 0.86 0.00 0.00 177.93 180.00 1kfi h LYS 421 N 0.40 0.25 -0.75 2.45 1.79 -0.85 -2.40 116.57 117.47 1kfi h LYS 421 Ca 0.11 -0.03 -0.34 0.00 -2.18 0.00 0.00 60.65 58.21 1kfi h LYS 421 Cb 0.26 -0.05 -0.20 0.00 -1.58 0.00 0.00 32.23 30.66 1kfi h LYS 421 CO -0.00 0.26 0.36 0.09 -1.08 0.00 0.00 179.45 179.08 1kfi n ASN 422 N -4.40 3.70 -4.55 0.86 5.03 0.64 -4.66 115.26 111.88 1kfi n ASN 422 Ca -0.00 -3.53 -0.43 0.00 0.87 0.00 0.00 54.58 51.49 1kfi n ASN 422 Cb 0.16 -0.75 -0.01 0.00 -1.02 0.00 0.00 39.78 38.15 1kfi n ASN 422 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1kfi s LYS 423 N -3.20 3.85 -0.20 3.52 2.47 -0.82 -4.53 119.74 120.83 1kfi s LYS 423 Ca 0.53 -1.80 -0.05 0.00 -1.56 0.00 0.00 55.97 53.08 1kfi s LYS 423 Cb 0.45 -5.36 0.02 0.00 -1.46 0.00 0.00 37.83 31.48 1kfi s LYS 423 CO 0.09 -2.13 0.10 0.09 0.16 0.00 0.00 175.35 173.66 1kfi n ASN 424 N 7.97 -4.72 -3.81 1.43 3.02 -1.26 -5.06 115.26 112.83 1kfi n ASN 424 Ca 0.40 1.26 -0.10 0.00 -0.03 0.00 0.00 54.58 56.12 1kfi n ASN 424 Cb 0.47 -4.61 -0.07 0.00 -0.61 0.00 0.00 39.78 34.96 1kfi n ASN 424 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kfi s THR 425 N -1.03 0.12 0.61 3.41 -4.23 -1.26 -5.03 115.64 108.23 1kfi s THR 425 Ca -0.12 -0.98 0.27 0.00 -1.18 0.00 0.00 61.69 59.68 1kfi s THR 425 Cb 0.01 -1.20 0.27 0.00 1.34 0.00 0.00 72.50 72.92 1kfi s THR 425 CO 0.64 -0.54 1.82 -2.24 -0.54 0.00 0.00 174.62 173.76 1kfi h ASP 426 N 2.85 0.00 -5.02 3.99 2.03 -1.97 -3.44 116.42 114.87 1kfi h ASP 426 Ca -0.33 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.93 1kfi h ASP 426 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1kfi h ASP 426 CO 0.52 0.00 0.26 -1.38 -1.03 0.00 0.00 179.24 177.61 1kfi s HIS 427 N -4.03 0.16 -0.82 4.15 -3.43 -1.26 -5.11 115.29 104.96 1kfi s HIS 427 Ca -0.03 -0.84 -0.19 0.00 -0.80 0.00 0.00 55.06 53.20 1kfi s HIS 427 Cb 0.08 0.82 0.12 0.00 -1.43 0.00 0.00 32.58 32.17 1kfi s HIS 427 CO 0.25 -1.57 0.99 0.12 -2.00 0.00 0.00 174.74 172.53 1kfi s PHE 428 N -2.27 3.09 0.16 0.38 2.19 -1.26 -4.92 117.98 115.35 1kfi s PHE 428 Ca 0.16 -1.23 -0.34 0.00 0.33 0.00 0.00 56.93 55.85 1kfi s PHE 428 Cb -0.05 -4.19 -0.15 0.00 -1.31 0.00 0.00 43.02 37.32 1kfi s PHE 428 CO 0.12 -1.44 1.47 0.28 1.83 0.00 0.00 175.22 177.48 1kfi n VAL 429 N 5.42 0.22 -3.63 3.12 0.31 -1.26 -4.94 118.33 117.56 1kfi n VAL 429 Ca 0.13 -0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1kfi n VAL 429 Cb 0.47 -1.32 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 1kfi n VAL 429 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1kfi s THR 430 N 0.58 3.35 0.11 2.52 -4.23 -1.26 -4.85 115.64 111.86 1kfi s THR 430 Ca 0.78 -1.27 -0.32 0.00 -1.18 0.00 0.00 61.69 59.69 1kfi s THR 430 Cb -0.75 -3.16 -0.12 0.00 1.34 0.00 0.00 72.50 69.82 1kfi s THR 430 CO 0.43 -0.11 1.58 0.58 -0.54 0.00 0.00 174.62 176.56 1kfi h VAL 431 N 1.09 0.13 -0.72 2.29 2.07 -1.92 0.28 116.25 119.46 1kfi h VAL 431 Ca -0.44 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.21 1kfi h VAL 431 Cb 1.26 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1kfi h VAL 431 CO 0.56 0.00 0.48 -0.08 0.02 0.00 0.00 177.57 178.55 1kfi h GLU 432 N -0.72 0.48 -0.52 1.57 4.81 -1.93 0.30 114.58 118.58 1kfi h GLU 432 Ca 0.00 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1kfi h GLU 432 Cb 0.71 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1kfi h GLU 432 CO -0.21 0.32 -0.11 1.49 -0.73 0.00 0.00 179.01 179.77 1kfi h GLU 433 N 0.50 0.99 0.22 1.92 4.81 -1.53 -1.01 114.58 120.48 1kfi h GLU 433 Ca 0.35 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1kfi h GLU 433 Cb 0.67 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1kfi h GLU 433 CO -0.12 1.05 -0.11 0.82 -0.73 0.00 0.00 179.01 179.93 1kfi h ILE 434 N 0.86 0.86 -0.26 2.32 2.04 0.15 -2.48 117.51 121.00 1kfi h ILE 434 Ca 0.13 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1kfi h ILE 434 Cb 0.68 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1kfi h ILE 434 CO 0.05 0.13 0.02 0.58 0.00 0.00 0.00 178.15 178.92 1kfi h VAL 435 N -0.60 1.15 -0.43 1.67 2.07 -1.20 -0.65 116.25 118.27 1kfi h VAL 435 Ca -0.03 -0.58 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 1kfi h VAL 435 Cb 0.44 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1kfi h VAL 435 CO 0.05 0.20 -0.10 0.74 0.02 0.00 0.00 177.57 178.47 1kfi h THR 436 N 0.37 1.27 -0.23 2.57 2.02 -1.16 -1.16 112.91 116.59 1kfi h THR 436 Ca 0.09 -1.21 -0.08 0.00 0.77 0.00 0.00 66.41 65.97 1kfi h THR 436 Cb 0.23 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1kfi h THR 436 CO 0.00 0.41 -0.22 -0.61 0.37 0.00 0.00 175.52 175.48 1kfi h GLN 437 N 0.66 0.42 0.30 6.66 4.15 -0.99 -1.96 115.11 124.36 1kfi h GLN 437 Ca 0.11 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1kfi h GLN 437 Cb 0.64 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1kfi h GLN 437 CO 0.04 0.62 -0.23 -0.92 -1.93 0.00 0.00 178.83 176.42 1kfi h TYR 438 N 0.38 -0.60 -0.90 3.99 3.20 -0.57 -1.99 116.97 120.48 1kfi h TYR 438 Ca 0.06 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.00 1kfi h TYR 438 Cb 0.60 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.03 1kfi h TYR 438 CO 0.02 -0.34 0.59 -1.49 -1.64 0.00 0.00 178.16 175.29 1kfi h TRP 439 N -0.53 1.04 0.00 -3.82 6.55 -0.97 0.49 115.95 118.71 1kfi h TRP 439 Ca -0.02 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.82 1kfi h TRP 439 Cb 0.46 -0.34 -0.00 0.00 -0.86 0.00 0.00 29.16 28.42 1kfi h TRP 439 CO -0.13 0.54 -0.10 1.96 -1.05 0.00 0.00 178.44 179.67 1kfi h GLN 440 N 1.02 0.00 0.05 0.49 4.20 -0.91 0.44 115.11 120.41 1kfi h GLN 440 Ca 0.39 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.74 1kfi h GLN 440 Cb 0.20 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1kfi h GLN 440 CO -0.15 0.10 -2.14 0.94 -0.67 0.00 0.00 178.83 176.92 1kfi n GLN 441 N -3.99 0.70 0.00 1.46 7.27 -0.23 -4.62 117.38 117.97 1kfi n GLN 441 Ca -0.02 0.20 0.04 0.00 0.07 0.00 0.00 57.00 57.29 1kfi n GLN 441 Cb 0.19 -1.65 -0.05 0.00 2.41 0.00 0.00 30.24 31.15 1kfi n GLN 441 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1kfi n PHE 442 N -3.25 0.00 0.00 3.69 3.72 -0.00 -5.12 117.46 116.50 1kfi n PHE 442 Ca -0.33 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1kfi n PHE 442 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1kfi n PHE 442 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kfi n GLY 443 N 1.18 0.27 3.24 1.37 0.00 0.16 -4.94 105.19 106.47 1kfi n GLY 443 Ca 0.02 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 1kfi n GLY 443 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kfi s ARG 444 N -1.13 1.93 -0.71 1.61 3.52 0.10 -4.31 118.95 119.96 1kfi s ARG 444 Ca 0.00 -0.80 -0.03 0.00 -0.13 0.00 0.00 55.73 54.77 1kfi s ARG 444 Cb 0.00 -1.81 0.18 0.00 -1.56 0.00 0.00 34.95 31.76 1kfi s ARG 444 CO 0.00 0.45 0.55 -0.80 -0.81 0.00 0.00 175.30 174.69 1kfi s ASN 445 N -0.42 5.51 0.33 -2.12 -0.87 -1.26 -1.17 114.94 114.93 1kfi s ASN 445 Ca 0.06 -3.09 -0.29 0.00 -1.57 0.00 0.00 52.86 47.96 1kfi s ASN 445 Cb -0.10 -1.89 -0.11 0.00 -0.02 0.00 0.00 41.25 39.13 1kfi s ASN 445 CO 0.00 -0.33 1.55 -1.22 -2.57 0.00 0.00 177.10 174.53 1kfi n TYR 446 N 3.18 2.89 -3.75 2.20 4.02 0.39 -4.81 117.16 121.28 1kfi n TYR 446 Ca 0.12 0.33 -0.13 0.00 -0.01 0.00 0.00 57.90 58.22 1kfi n TYR 446 Cb 0.38 -2.57 -0.11 0.00 -0.02 0.00 0.00 39.34 37.03 1kfi n TYR 446 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 1kfi s TYR 447 N -0.45 -0.39 -0.04 -0.72 5.04 -1.26 -0.61 117.35 118.93 1kfi s TYR 447 Ca 0.60 0.93 -0.13 0.00 -2.44 0.00 0.00 57.07 56.03 1kfi s TYR 447 Cb -0.49 0.13 0.02 0.00 0.35 0.00 0.00 41.96 41.97 1kfi s TYR 447 CO 0.55 -0.19 0.29 0.45 -1.34 0.00 0.00 175.55 175.30 1kfi s SER 448 N 0.29 -0.20 -0.04 4.32 0.15 -0.25 -5.00 113.70 112.97 1kfi s SER 448 Ca -0.01 0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.89 1kfi s SER 448 Cb -0.03 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 1kfi s SER 448 CO -0.01 -0.35 -0.23 -0.60 1.20 0.00 0.00 173.24 173.25 1kfi s ARG 449 N -0.96 2.24 -0.20 5.44 3.52 -1.26 -0.11 118.95 127.62 1kfi s ARG 449 Ca -0.10 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.64 1kfi s ARG 449 Cb -0.05 -1.97 -0.00 0.00 -1.56 0.00 0.00 34.95 31.37 1kfi s ARG 449 CO 0.03 0.39 -0.08 0.71 -0.81 0.00 0.00 175.30 175.54 1kfi s TYR 450 N -0.23 2.91 -0.17 5.12 4.12 0.76 -2.26 117.35 127.60 1kfi s TYR 450 Ca -0.00 -1.05 -0.05 0.00 0.02 0.00 0.00 57.07 55.99 1kfi s TYR 450 Cb -0.12 -2.05 -0.03 0.00 -1.52 0.00 0.00 41.96 38.24 1kfi s TYR 450 CO 0.02 -0.57 0.00 -0.51 0.02 0.00 0.00 175.55 174.52 1kfi s ASP 451 N 1.34 5.11 -0.37 2.29 1.01 -0.56 -0.63 116.67 124.86 1kfi s ASP 451 Ca 0.04 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.25 1kfi s ASP 451 Cb -0.14 -1.86 0.10 0.00 1.01 0.00 0.00 42.92 42.04 1kfi s ASP 451 CO -0.04 0.16 0.12 -0.31 0.21 0.00 0.00 175.17 175.30 1kfi s TYR 452 N 0.46 3.69 -0.01 4.23 2.02 0.11 0.13 117.35 127.96 1kfi s TYR 452 Ca -0.01 -2.75 -0.08 0.00 -0.37 0.00 0.00 57.07 53.86 1kfi s TYR 452 Cb -0.14 -3.06 -0.05 0.00 -0.40 0.00 0.00 41.96 38.31 1kfi s TYR 452 CO 0.02 -0.96 0.28 -1.21 -1.57 0.00 0.00 175.55 172.10 1kfi s GLU 453 N 1.01 3.62 -1.30 -0.62 2.02 -1.26 -0.20 118.70 121.96 1kfi s GLU 453 Ca 0.10 0.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.09 1kfi s GLU 453 Cb -0.21 -3.12 0.01 0.00 0.10 0.00 0.00 34.13 30.91 1kfi s GLU 453 CO -0.06 0.68 0.82 1.04 0.02 0.00 0.00 175.26 177.76 1kfi n GLN 454 N 1.40 -5.55 -3.96 1.61 3.00 -0.76 -4.97 117.38 108.14 1kfi n GLN 454 Ca -0.13 0.69 -0.23 0.00 -0.01 0.00 0.00 57.00 57.32 1kfi n GLN 454 Cb 0.53 -5.41 -0.02 0.00 0.00 0.00 0.00 30.24 25.34 1kfi n GLN 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1kfi s VAL 455 N -3.54 5.27 0.03 5.09 -7.23 0.37 -4.84 120.40 115.55 1kfi s VAL 455 Ca 0.09 -0.90 -0.38 0.00 -1.81 0.00 0.00 61.98 58.98 1kfi s VAL 455 Cb -0.04 -3.81 -0.18 0.00 0.56 0.00 0.00 36.38 32.90 1kfi s VAL 455 CO 0.79 -0.25 1.27 -0.67 -0.31 0.00 0.00 175.10 175.92 1kfi n ASP 456 N -1.13 1.08 -0.14 4.85 2.03 -1.26 -2.23 116.55 119.74 1kfi n ASP 456 Ca -0.08 1.13 -0.10 0.00 0.52 0.00 0.00 54.79 56.26 1kfi n ASP 456 Cb 0.56 -1.09 -0.01 0.00 -0.72 0.00 0.00 41.12 39.87 1kfi n ASP 456 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1kfi h SER 457 N 4.12 0.66 -0.07 1.67 0.87 -1.93 -2.22 113.55 116.66 1kfi h SER 457 Ca -0.49 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 59.75 1kfi h SER 457 Cb 1.37 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1kfi h SER 457 CO 0.74 0.74 -0.16 0.00 -0.53 0.00 0.00 176.83 177.62 1kfi h ALA 458 N 0.94 1.26 0.00 6.23 0.00 -1.97 -1.00 119.26 124.72 1kfi h ALA 458 Ca 0.13 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1kfi h ALA 458 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1kfi h ALA 458 CO 0.01 0.49 -0.22 0.78 0.00 0.00 0.00 179.25 180.31 1kfi h GLY 459 N 0.93 0.00 1.35 0.00 0.00 -1.75 -0.64 103.07 102.97 1kfi h GLY 459 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.09 1kfi h GLY 459 CO 0.03 0.00 -1.44 0.00 0.00 0.00 0.00 176.54 175.13 1kfi h ALA 460 N 1.78 0.01 -0.43 3.60 0.00 -0.95 -2.58 119.26 120.70 1kfi h ALA 460 Ca -0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 54.91 53.90 1kfi h ALA 460 Cb 0.93 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1kfi h ALA 460 CO 0.03 0.88 -0.04 -0.91 0.00 0.00 0.00 179.25 179.21 1kfi h ASN 461 N 0.11 0.78 -0.56 0.00 -0.26 -1.07 -2.40 115.58 112.19 1kfi h ASN 461 Ca -0.22 -0.33 -0.04 0.00 -0.56 0.00 0.00 56.30 55.14 1kfi h ASN 461 Cb 2.08 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 39.10 1kfi h ASN 461 CO 0.23 0.92 0.20 0.11 -1.06 0.00 0.00 177.43 177.83 1kfi h LYS 462 N 0.62 0.89 -0.16 0.81 1.57 -1.17 -1.71 116.57 117.42 1kfi h LYS 462 Ca 0.12 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1kfi h LYS 462 Cb 0.55 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1kfi h LYS 462 CO 0.03 0.76 0.08 1.98 -0.57 0.00 0.00 179.45 181.73 1kfi h MET 463 N 0.87 0.23 0.06 3.15 4.05 -1.28 -0.59 114.93 121.43 1kfi h MET 463 Ca 0.20 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 1kfi h MET 463 Cb 0.23 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.95 1kfi h MET 463 CO -0.01 0.27 -0.24 0.52 0.23 0.00 0.00 176.91 177.68 1kfi h MET 464 N 0.13 -0.40 -0.91 0.39 2.86 -1.07 -0.39 114.93 115.55 1kfi h MET 464 Ca 0.06 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.86 1kfi h MET 464 Cb 0.12 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.77 1kfi h MET 464 CO -0.01 -0.26 0.52 0.93 1.06 0.00 0.00 176.91 179.15 1kfi h GLU 465 N -0.41 0.74 -0.40 1.72 4.39 -1.18 0.16 114.58 119.59 1kfi h GLU 465 Ca 0.04 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1kfi h GLU 465 Cb 0.46 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1kfi h GLU 465 CO -0.17 0.49 0.14 1.25 -1.16 0.00 0.00 179.01 179.56 1kfi h HIS 466 N 0.76 0.56 -1.01 4.33 2.76 -0.13 -2.09 115.15 120.34 1kfi h HIS 466 Ca 0.48 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.67 1kfi h HIS 466 Cb 0.62 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.35 1kfi h HIS 466 CO -0.05 0.46 0.66 -0.07 -1.30 0.00 0.00 177.93 177.63 1kfi h LEU 467 N 0.56 1.10 -1.80 0.26 3.38 0.95 -1.69 115.31 118.07 1kfi h LEU 467 Ca 0.14 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1kfi h LEU 467 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1kfi h LEU 467 CO -0.01 0.75 0.14 0.50 0.09 0.00 0.00 178.44 179.91 1kfi h LYS 468 N 1.27 0.27 -0.17 1.13 3.64 -1.13 0.12 116.57 121.70 1kfi h LYS 468 Ca 0.40 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1kfi h LYS 468 Cb 0.01 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1kfi h LYS 468 CO -0.13 0.18 0.00 0.25 -2.27 0.00 0.00 179.45 177.48 1kfi n THR 469 N -4.51 0.03 0.21 1.00 -2.24 -0.64 -2.90 114.28 105.24 1kfi n THR 469 Ca 0.00 -0.02 0.02 0.00 -2.27 0.00 0.00 64.05 61.78 1kfi n THR 469 Cb 0.08 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1kfi n THR 469 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1kfi n LYS 470 N -0.38 3.24 0.09 -0.78 4.76 0.42 -4.77 118.16 120.74 1kfi n LYS 470 Ca 0.01 -0.31 -0.13 0.00 -2.87 0.00 0.00 58.31 55.00 1kfi n LYS 470 Cb 0.06 -0.86 -0.06 0.00 -1.84 0.00 0.00 35.03 32.32 1kfi n LYS 470 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1kfi h PHE 471 N 0.39 -1.01 -0.50 2.13 0.05 -1.53 -1.17 116.94 115.30 1kfi h PHE 471 Ca 0.00 0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.86 1kfi h PHE 471 Cb 0.15 0.44 -0.04 0.00 2.00 0.00 0.00 35.95 38.49 1kfi h PHE 471 CO 0.00 -0.46 0.26 1.96 -0.18 0.00 0.00 178.31 179.89 1kfi h GLN 472 N -0.56 0.50 -0.42 1.51 4.20 -1.86 -1.25 115.11 117.23 1kfi h GLN 472 Ca 0.04 -0.03 0.08 0.00 0.06 0.00 0.00 58.65 58.80 1kfi h GLN 472 Cb 0.62 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.21 1kfi h GLN 472 CO -0.25 0.33 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.25 1kfi h TYR 473 N 0.51 -0.14 0.31 2.96 3.20 -1.76 -0.91 116.97 121.13 1kfi h TYR 473 Ca 0.22 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1kfi h TYR 473 Cb 0.11 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.51 1kfi h TYR 473 CO -0.10 -0.15 -0.15 0.35 -1.64 0.00 0.00 178.16 176.48 1kfi h PHE 474 N 0.04 -0.38 -0.04 -3.82 3.57 -0.74 -2.89 116.94 112.69 1kfi h PHE 474 Ca 0.21 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1kfi h PHE 474 Cb 0.31 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1kfi h PHE 474 CO -0.33 -0.16 0.03 0.93 -2.23 0.00 0.00 178.31 176.55 1kfi h GLU 475 N -0.53 0.00 0.00 1.11 5.08 -0.99 -1.77 114.58 117.48 1kfi h GLU 475 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1kfi h GLU 475 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1kfi h GLU 475 CO 0.07 0.00 -0.01 1.96 -1.00 0.00 0.00 179.01 180.03 1kfi h GLN 476 N 0.00 0.00 -0.63 2.33 4.20 -1.01 -3.31 115.11 116.69 1kfi h GLN 476 Ca 0.02 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1kfi h GLN 476 Cb 0.08 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1kfi h GLN 476 CO -0.00 0.00 0.20 -0.07 -0.67 0.00 0.00 178.83 178.29 1kfi h LEU 477 N 0.00 0.88 -7.11 1.46 3.38 -1.11 -3.42 115.31 109.39 1kfi h LEU 477 Ca 0.00 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1kfi h LEU 477 Cb 0.89 -0.23 -0.26 0.00 0.09 0.00 0.00 40.66 41.15 1kfi h LEU 477 CO 0.00 0.83 -0.33 -0.75 0.09 0.00 0.00 178.44 178.27 1kfi s LYS 478 N -5.33 0.36 0.09 1.13 2.47 -1.24 -5.08 119.74 112.14 1kfi s LYS 478 Ca -0.11 1.09 -0.13 0.00 -1.56 0.00 0.00 55.97 55.27 1kfi s LYS 478 Cb 0.16 0.40 0.02 0.00 -1.46 0.00 0.00 37.83 36.95 1kfi s LYS 478 CO 0.81 -0.24 0.77 0.94 0.16 0.00 0.00 175.35 177.79 1kfi n GLN 479 N 5.37 -0.18 0.30 4.03 7.27 -1.26 0.12 117.38 133.03 1kfi n GLN 479 Ca -0.09 0.76 0.17 0.00 0.07 0.00 0.00 57.00 57.91 1kfi n GLN 479 Cb 0.50 -1.12 0.91 0.00 2.41 0.00 0.00 30.24 32.94 1kfi n GLN 479 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1kfi h GLY 480 N 0.00 0.00 -4.30 1.69 0.00 -1.98 -3.46 103.07 95.03 1kfi h GLY 480 Ca 0.11 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.83 1kfi h GLY 480 CO -0.48 0.00 -0.12 0.70 0.00 0.00 0.00 176.54 176.64 1kfi n ASN 481 N -3.44 0.29 -3.82 0.19 5.03 0.12 -4.44 115.26 109.18 1kfi n ASN 481 Ca -0.02 1.07 -0.14 0.00 0.87 0.00 0.00 54.58 56.36 1kfi n ASN 481 Cb 0.16 -1.20 -0.15 0.00 -1.02 0.00 0.00 39.78 37.58 1kfi n ASN 481 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1kfi s LYS 482 N -1.55 0.03 0.02 3.52 2.20 -0.19 -4.53 119.74 119.24 1kfi s LYS 482 Ca 0.61 0.09 0.06 0.00 -0.36 0.00 0.00 55.97 56.37 1kfi s LYS 482 Cb -0.68 -0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 1kfi s LYS 482 CO 0.58 -0.09 -0.17 0.00 -0.36 0.00 0.00 175.35 175.31 1kfi s ALA 483 N 0.61 1.44 0.07 3.13 0.00 -1.26 -0.92 121.76 124.83 1kfi s ALA 483 Ca -0.05 -0.84 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 1kfi s ALA 483 Cb -0.08 -0.31 0.09 0.00 0.00 0.00 0.00 23.12 22.82 1kfi s ALA 483 CO -0.02 0.33 1.18 0.16 0.00 0.00 0.00 175.76 177.41 1kfi s ASP 484 N -0.79 0.01 -0.16 0.00 -4.77 -0.62 -4.97 116.67 105.37 1kfi s ASP 484 Ca 0.06 -0.40 -0.05 0.00 -3.30 0.00 0.00 52.55 48.85 1kfi s ASP 484 Cb -0.07 0.29 -0.03 0.00 -1.09 0.00 0.00 42.92 42.01 1kfi s ASP 484 CO 0.00 -0.58 0.01 -0.63 0.70 0.00 0.00 175.17 174.67 1kfi s ILE 485 N -2.06 4.33 -0.46 2.11 1.01 -1.26 -0.31 121.20 124.55 1kfi s ILE 485 Ca 0.27 -0.20 -0.28 0.00 0.00 0.00 0.00 60.65 60.43 1kfi s ILE 485 Cb -0.01 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1kfi s ILE 485 CO 0.02 0.49 1.63 -0.47 0.00 0.00 0.00 174.94 176.61 1kfi s TYR 486 N 0.26 2.03 -0.20 3.97 5.04 0.12 -4.91 117.35 123.66 1kfi s TYR 486 Ca 0.00 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.24 1kfi s TYR 486 Cb -0.13 -4.23 -0.01 0.00 0.35 0.00 0.00 41.96 37.94 1kfi s TYR 486 CO 0.02 -2.36 -0.07 -0.51 -1.34 0.00 0.00 175.55 171.29 1kfi s ASP 487 N 5.60 4.18 -0.22 4.32 1.01 -1.26 -0.56 116.67 129.74 1kfi s ASP 487 Ca 0.66 -0.39 -0.08 0.00 0.71 0.00 0.00 52.55 53.45 1kfi s ASP 487 Cb -0.16 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 1kfi s ASP 487 CO 0.29 0.02 0.08 -0.47 0.21 0.00 0.00 175.17 175.29 1kfi s TYR 488 N 1.24 3.18 -0.32 4.23 5.04 0.13 -4.93 117.35 125.94 1kfi s TYR 488 Ca 0.03 -0.10 -0.10 0.00 -2.44 0.00 0.00 57.07 54.46 1kfi s TYR 488 Cb -0.14 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 39.99 1kfi s TYR 488 CO -0.03 -0.06 0.16 0.08 -1.34 0.00 0.00 175.55 174.36 1kfi s VAL 489 N 0.96 4.64 0.30 3.14 1.01 -1.26 0.12 120.40 129.31 1kfi s VAL 489 Ca 0.04 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1kfi s VAL 489 Cb -0.14 -3.38 -0.12 0.00 0.00 0.00 0.00 36.38 32.75 1kfi s VAL 489 CO 0.03 0.05 1.57 -0.67 0.00 0.00 0.00 175.10 176.08 1kfi n ASP 490 N 4.99 3.77 -0.04 3.32 4.64 -0.97 -4.88 116.55 127.38 1kfi n ASP 490 Ca -0.14 1.16 0.15 0.00 -1.38 0.00 0.00 54.79 54.58 1kfi n ASP 490 Cb 0.49 -1.58 0.78 0.00 -1.04 0.00 0.00 41.12 39.77 1kfi n ASP 490 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1kfi n PRO 491 N 1.94 0.69 0.00 -0.67 -0.02 -1.26 -2.79 135.00 132.90 1kfi n PRO 491 Ca 0.08 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1kfi n PRO 491 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1kfi n PRO 491 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1kfi n VAL 492 N -1.09 0.00 -0.28 -1.45 0.31 -1.26 -4.80 118.33 109.77 1kfi n VAL 492 Ca 0.17 0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.44 1kfi n VAL 492 Cb 0.21 -0.78 0.15 0.00 -0.91 0.00 0.00 33.84 32.52 1kfi n VAL 492 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1kfi n ASP 493 N -1.33 3.59 -0.40 4.52 3.85 -1.26 -4.91 116.55 120.62 1kfi n ASP 493 Ca 0.00 -2.83 0.00 0.00 -0.71 0.00 0.00 54.79 51.25 1kfi n ASP 493 Cb 0.00 -0.67 0.00 0.00 -1.35 0.00 0.00 41.12 39.10 1kfi n ASP 493 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1kfi n GLN 494 N -0.20 -1.46 -1.55 0.11 3.00 -1.12 -4.82 117.38 111.33 1kfi n GLN 494 Ca 0.30 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.82 1kfi n GLN 494 Cb 1.08 -2.93 -0.05 0.00 0.00 0.00 0.00 30.24 28.35 1kfi n GLN 494 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1kfi n SER 495 N 1.99 2.89 -4.67 1.08 7.64 -1.26 -4.26 113.62 117.03 1kfi n SER 495 Ca 0.00 0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.85 1kfi n SER 495 Cb 0.00 -1.42 -0.03 0.00 -1.01 0.00 0.00 64.21 61.75 1kfi n SER 495 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1kfi s VAL 496 N 7.34 4.76 -0.36 0.44 1.01 -1.26 -2.29 120.40 130.03 1kfi s VAL 496 Ca 1.03 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 64.90 1kfi s VAL 496 Cb -0.58 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 31.64 1kfi s VAL 496 CO 0.43 -0.08 0.12 -0.55 0.00 0.00 0.00 175.10 175.01 1kfi s SER 497 N 1.18 5.06 0.59 3.32 0.15 0.32 -4.94 113.70 119.38 1kfi s SER 497 Ca 0.43 -1.83 -0.05 0.00 0.70 0.00 0.00 55.95 55.19 1kfi s SER 497 Cb -0.16 -1.76 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1kfi s SER 497 CO 0.10 -0.43 0.90 -0.54 1.20 0.00 0.00 173.24 174.47 1kfi s LYS 498 N 1.13 2.84 -1.16 5.44 1.02 -1.26 0.23 119.74 127.98 1kfi s LYS 498 Ca 0.05 -0.08 -0.14 0.00 0.02 0.00 0.00 55.97 55.82 1kfi s LYS 498 Cb -0.21 -2.28 -0.02 0.00 -0.52 0.00 0.00 37.83 34.80 1kfi s LYS 498 CO -0.04 -0.73 0.79 0.09 -0.92 0.00 0.00 175.35 174.54 1kfi n ASN 499 N -2.58 -4.76 -1.73 2.83 3.02 -1.17 -4.90 115.26 105.96 1kfi n ASN 499 Ca 0.05 -0.93 -0.10 0.00 -0.03 0.00 0.00 54.58 53.57 1kfi n ASN 499 Cb 0.58 -3.83 0.23 0.00 -0.61 0.00 0.00 39.78 36.15 1kfi n ASN 499 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kfi n GLN 500 N -4.02 2.59 0.00 3.52 1.13 0.27 -5.00 117.38 115.88 1kfi n GLN 500 Ca -0.13 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 51.86 1kfi n GLN 500 Cb 0.61 -2.05 0.00 0.00 0.11 0.00 0.00 30.24 28.91 1kfi n GLN 500 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kfi n GLY 501 N -0.82 2.77 3.40 1.08 0.00 -1.26 -4.78 105.19 105.59 1kfi n GLY 501 Ca 0.43 -2.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1kfi n GLY 501 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kfi s VAL 502 N -2.14 2.98 -0.09 1.61 1.01 -0.79 0.12 120.40 123.09 1kfi s VAL 502 Ca 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.30 1kfi s VAL 502 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1kfi s VAL 502 CO 0.00 0.55 -0.21 -0.13 0.00 0.00 0.00 175.10 175.32 1kfi s ARG 503 N -0.12 2.71 -0.35 2.72 0.52 0.57 -1.67 118.95 123.33 1kfi s ARG 503 Ca -0.02 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1kfi s ARG 503 Cb -0.14 -2.08 0.10 0.00 0.52 0.00 0.00 34.95 33.35 1kfi s ARG 503 CO 0.04 0.13 0.08 -0.06 0.02 0.00 0.00 175.30 175.50 1kfi s PHE 504 N 0.46 3.66 -0.10 -0.53 0.40 -0.14 -1.59 117.98 120.15 1kfi s PHE 504 Ca -0.17 -2.74 0.02 0.00 -0.60 0.00 0.00 56.93 53.44 1kfi s PHE 504 Cb -0.17 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.43 1kfi s PHE 504 CO 0.07 -0.95 -0.17 0.54 0.70 0.00 0.00 175.22 175.41 1kfi s VAL 505 N 1.00 2.70 0.49 -0.44 0.11 -0.10 -0.24 120.40 123.92 1kfi s VAL 505 Ca 0.08 -0.81 -0.02 0.00 -2.93 0.00 0.00 61.98 58.30 1kfi s VAL 505 Cb -0.20 -2.08 -0.01 0.00 -1.53 0.00 0.00 36.38 32.56 1kfi s VAL 505 CO -0.06 0.55 0.75 -0.36 -3.33 0.00 0.00 175.10 172.65 1kfi s PHE 506 N 0.05 3.31 0.21 1.54 0.40 0.20 -1.02 117.98 122.67 1kfi s PHE 506 Ca -0.07 0.46 -0.09 0.00 -0.60 0.00 0.00 56.93 56.63 1kfi s PHE 506 Cb -0.15 -2.41 0.24 0.00 0.51 0.00 0.00 43.02 41.22 1kfi s PHE 506 CO 0.05 -0.45 1.79 0.78 0.70 0.00 0.00 175.22 178.09 1kfi h GLY 507 N 0.22 0.93 -0.14 4.36 0.00 -1.86 -1.97 103.07 104.61 1kfi h GLY 507 Ca -0.46 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1kfi h GLY 507 CO 0.59 0.11 0.00 2.09 0.00 0.00 0.00 176.54 179.33 1kfi n ASP 508 N -4.84 0.11 0.00 0.19 5.68 -1.26 -4.83 116.55 111.60 1kfi n ASP 508 Ca 0.08 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1kfi n ASP 508 Cb 0.20 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1kfi n ASP 508 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kfi n GLY 509 N 0.24 2.16 3.75 6.12 0.00 -0.74 -4.71 105.19 112.01 1kfi n GLY 509 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1kfi n GLY 509 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kfi s SER 510 N -1.69 5.42 0.19 1.61 0.01 -1.26 -4.73 113.70 113.24 1kfi s SER 510 Ca 0.00 2.58 -0.13 0.00 1.31 0.00 0.00 55.95 59.71 1kfi s SER 510 Cb 0.00 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.62 1kfi s SER 510 CO 0.00 -1.45 0.42 -0.13 0.41 0.00 0.00 173.24 172.48 1kfi s ARG 511 N -2.96 1.31 -0.12 12.44 0.52 -0.19 0.59 118.95 130.54 1kfi s ARG 511 Ca 0.71 -1.05 -0.03 0.00 -0.52 0.00 0.00 55.73 54.84 1kfi s ARG 511 Cb -0.36 0.45 0.05 0.00 0.52 0.00 0.00 34.95 35.61 1kfi s ARG 511 CO 0.41 -0.53 0.05 0.42 0.02 0.00 0.00 175.30 175.68 1kfi s ILE 512 N -3.93 0.19 -0.07 1.52 1.01 0.66 -1.18 121.20 119.39 1kfi s ILE 512 Ca 0.14 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1kfi s ILE 512 Cb 0.01 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.87 1kfi s ILE 512 CO 0.00 -0.02 -0.19 -0.63 0.00 0.00 0.00 174.94 174.10 1kfi s ILE 513 N 2.03 2.60 -0.03 2.92 1.09 -0.27 -0.97 121.20 128.57 1kfi s ILE 513 Ca 0.03 -0.87 0.07 0.00 -1.10 0.00 0.00 60.65 58.78 1kfi s ILE 513 Cb -0.14 -2.01 -0.02 0.00 -1.06 0.00 0.00 42.46 39.23 1kfi s ILE 513 CO -0.06 0.57 -0.25 -0.36 -0.10 0.00 0.00 174.94 174.74 1kfi s PHE 514 N -0.24 2.39 -0.01 3.97 0.40 -0.67 -0.24 117.98 123.58 1kfi s PHE 514 Ca -0.00 -0.47 -0.09 0.00 -0.60 0.00 0.00 56.93 55.77 1kfi s PHE 514 Cb -0.13 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.87 1kfi s PHE 514 CO 0.03 -0.05 0.17 1.03 0.70 0.00 0.00 175.22 177.10 1kfi s ARG 515 N -0.53 0.49 -0.24 0.44 0.52 -0.34 -1.88 118.95 117.42 1kfi s ARG 515 Ca 0.07 -0.30 -0.10 0.00 -0.52 0.00 0.00 55.73 54.88 1kfi s ARG 515 Cb -0.11 0.21 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 1kfi s ARG 515 CO 0.00 -0.12 0.14 -0.51 0.02 0.00 0.00 175.30 174.83 1kfi s LEU 516 N -1.24 3.99 0.29 2.53 1.02 -1.26 -0.82 118.68 123.19 1kfi s LEU 516 Ca -0.13 0.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.78 1kfi s LEU 516 Cb -0.07 -2.07 -0.12 0.00 0.02 0.00 0.00 46.19 43.95 1kfi s LEU 516 CO 0.02 0.05 1.43 -0.24 0.02 0.00 0.00 176.35 177.63 1kfi n SER 517 N 4.36 3.12 -0.99 2.29 2.88 0.91 -4.91 113.62 121.29 1kfi n SER 517 Ca -0.15 1.17 0.09 0.00 -1.33 0.00 0.00 58.87 58.64 1kfi n SER 517 Cb 0.52 -1.50 0.24 0.00 -0.75 0.00 0.00 64.21 62.71 1kfi n SER 517 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kfi n GLY 518 N 1.61 2.60 2.41 0.46 0.00 -1.26 -4.56 105.19 106.45 1kfi n GLY 518 Ca 0.08 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 1kfi n GLY 518 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfi n THR 519 N 1.08 0.16 -4.73 2.61 -2.24 -1.26 -4.75 114.28 105.16 1kfi n THR 519 Ca 0.18 -3.63 -0.32 0.00 -2.27 0.00 0.00 64.05 58.01 1kfi n THR 519 Cb 0.52 0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 1kfi n THR 519 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1kfi s GLY 520 N -2.39 3.03 0.03 3.38 0.00 -1.26 -5.14 107.32 104.96 1kfi s GLY 520 Ca 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 1kfi s GLY 520 CO -0.05 -2.13 -0.02 -0.56 0.00 0.00 0.00 173.10 170.35 1kfi s SER 521 N -3.84 0.28 0.00 1.64 0.01 -1.26 -4.95 113.70 105.58 1kfi s SER 521 Ca 0.06 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.72 1kfi s SER 521 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1kfi s SER 521 CO 0.04 -0.38 0.00 0.52 0.41 0.00 0.00 173.24 173.83 1kfi n VAL 522 N 1.23 0.00 -4.71 3.43 0.31 -1.26 -4.74 118.33 112.59 1kfi n VAL 522 Ca -0.22 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.80 1kfi n VAL 522 Cb 0.57 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.42 1kfi n VAL 522 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1kfi s GLY 523 N 0.00 2.94 0.50 2.92 0.00 -1.26 -4.96 107.32 107.45 1kfi s GLY 523 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 1kfi s GLY 523 CO 0.00 -2.12 0.80 0.00 0.00 0.00 0.00 173.10 171.79 1kfi s ALA 524 N -2.95 3.40 -0.08 3.20 0.00 -0.95 -4.67 121.76 119.71 1kfi s ALA 524 Ca 0.10 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.50 1kfi s ALA 524 Cb 0.02 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.59 1kfi s ALA 524 CO 0.06 -0.44 -0.07 0.99 0.00 0.00 0.00 175.76 176.29 1kfi s THR 525 N -2.78 0.87 -0.18 0.00 2.01 -1.26 -0.47 115.64 113.82 1kfi s THR 525 Ca 0.49 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 1kfi s THR 525 Cb -0.10 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1kfi s THR 525 CO 0.45 0.32 0.08 -0.63 -0.69 0.00 0.00 174.62 174.14 1kfi s ILE 526 N 1.24 4.95 -0.09 1.82 1.01 0.72 -0.06 121.20 130.79 1kfi s ILE 526 Ca -0.05 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1kfi s ILE 526 Cb -0.14 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.11 1kfi s ILE 526 CO -0.02 0.48 -0.19 -0.13 0.00 0.00 0.00 174.94 175.07 1kfi s ARG 527 N 0.18 2.54 -0.13 2.79 0.52 -0.00 0.04 118.95 124.89 1kfi s ARG 527 Ca 0.06 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.56 1kfi s ARG 527 Cb -0.12 -1.98 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 1kfi s ARG 527 CO 0.00 0.11 -0.13 0.42 0.02 0.00 0.00 175.30 175.72 1kfi s ILE 528 N 0.50 3.10 -0.25 1.52 1.01 0.19 -1.19 121.20 126.08 1kfi s ILE 528 Ca -0.16 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1kfi s ILE 528 Cb -0.17 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 1kfi s ILE 528 CO 0.06 0.53 0.00 -0.31 0.00 0.00 0.00 174.94 175.22 1kfi s TYR 529 N 0.30 3.04 -0.15 3.97 2.02 0.66 -0.17 117.35 127.02 1kfi s TYR 529 Ca -0.10 -0.94 -0.06 0.00 -0.37 0.00 0.00 57.07 55.60 1kfi s TYR 529 Cb -0.16 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1kfi s TYR 529 CO 0.05 -0.55 0.04 -0.06 -1.57 0.00 0.00 175.55 173.47 1kfi s PHE 530 N 1.49 3.23 -0.03 2.71 0.08 0.84 -1.11 117.98 125.18 1kfi s PHE 530 Ca 0.04 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.17 1kfi s PHE 530 Cb -0.15 -1.99 0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1kfi s PHE 530 CO -0.01 0.24 0.04 -2.00 -0.10 0.00 0.00 175.22 173.39 1kfi s GLU 531 N -0.02 0.02 -0.16 0.44 2.12 -0.33 -1.09 118.70 119.69 1kfi s GLU 531 Ca 0.05 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.65 1kfi s GLU 531 Cb -0.12 -0.43 0.02 0.00 0.26 0.00 0.00 34.13 33.85 1kfi s GLU 531 CO 0.01 -0.24 -0.20 -1.14 -0.54 0.00 0.00 175.26 173.15 1kfi s GLN 532 N 1.60 2.88 -0.06 4.30 2.00 0.22 -1.02 119.66 129.58 1kfi s GLN 532 Ca -0.02 -0.79 -0.14 0.00 -2.00 0.00 0.00 55.36 52.40 1kfi s GLN 532 Cb -0.13 -2.44 -0.05 0.00 0.80 0.00 0.00 33.01 31.19 1kfi s GLN 532 CO -0.03 -0.15 0.36 0.12 -0.50 0.00 0.00 175.29 175.09 1kfi s PHE 533 N 1.16 3.63 -0.04 1.67 5.36 -1.26 -0.46 117.98 128.04 1kfi s PHE 533 Ca 0.01 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.81 1kfi s PHE 533 Cb -0.14 -2.30 0.03 0.00 -0.34 0.00 0.00 43.02 40.28 1kfi s PHE 533 CO -0.09 0.51 0.03 -1.21 -1.46 0.00 0.00 175.22 173.00 1kfi s GLU 534 N -0.52 0.09 -0.05 10.12 0.41 -0.32 -4.93 118.70 123.50 1kfi s GLU 534 Ca 0.21 0.23 -0.20 0.00 -0.41 0.00 0.00 54.97 54.80 1kfi s GLU 534 Cb -0.15 -0.49 -0.31 0.00 -1.78 0.00 0.00 34.13 31.40 1kfi s GLU 534 CO 0.10 -0.24 0.84 0.37 -0.49 0.00 0.00 175.26 175.83 1kfi h GLN 535 N 7.86 0.31 0.00 1.61 5.75 -1.93 0.29 115.11 129.00 1kfi h GLN 535 Ca -0.29 -0.53 -0.09 0.00 -0.15 0.00 0.00 58.65 57.59 1kfi h GLN 535 Cb 1.12 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.86 1kfi h GLN 535 CO 0.32 1.25 -1.28 1.04 -2.65 0.00 0.00 178.83 177.52 1kfi n GLN 536 N -4.05 0.54 -1.19 1.69 3.00 -1.26 -4.41 117.38 111.70 1kfi n GLN 536 Ca -0.16 0.23 -0.36 0.00 -0.01 0.00 0.00 57.00 56.70 1kfi n GLN 536 Cb 0.86 -1.45 -0.09 0.00 0.00 0.00 0.00 30.24 29.57 1kfi n GLN 536 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1kfi n GLN 537 N -4.43 0.78 -0.93 -1.09 6.02 -1.26 -4.60 117.38 111.87 1kfi n GLN 537 Ca -0.21 -1.67 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 1kfi n GLN 537 Cb 0.58 -3.13 0.34 0.00 1.02 0.00 0.00 30.24 29.05 1kfi n GLN 537 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1kfi n ILE 538 N 7.24 2.74 0.02 5.09 -5.35 -1.26 -4.29 119.36 123.55 1kfi n ILE 538 Ca 0.46 -1.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.50 1kfi n ILE 538 Cb 0.43 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.00 1kfi n ILE 538 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1kfi n GLN 539 N 0.22 -0.12 -0.93 6.28 6.02 -1.26 -5.02 117.38 122.57 1kfi n GLN 539 Ca 0.33 -0.74 -0.28 0.00 -0.01 0.00 0.00 57.00 56.30 1kfi n GLN 539 Cb 1.26 -1.01 0.21 0.00 1.02 0.00 0.00 30.24 31.72 1kfi n GLN 539 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1kfi s HIS 540 N -0.24 1.74 0.01 1.08 3.76 -1.26 -5.02 115.29 115.36 1kfi s HIS 540 Ca 0.01 1.01 -0.13 0.00 -0.15 0.00 0.00 55.06 55.80 1kfi s HIS 540 Cb 0.01 -3.21 -0.06 0.00 1.11 0.00 0.00 32.58 30.43 1kfi s HIS 540 CO 0.01 -3.36 0.39 -2.00 -0.85 0.00 0.00 174.74 168.92 1kfi s GLU 541 N -4.80 3.84 0.15 1.40 2.12 -1.26 -4.98 118.70 115.17 1kfi s GLU 541 Ca 0.67 0.31 -0.17 0.00 0.36 0.00 0.00 54.97 56.13 1kfi s GLU 541 Cb -0.21 -3.15 0.06 0.00 0.26 0.00 0.00 34.13 31.09 1kfi s GLU 541 CO 0.60 0.66 1.71 0.00 -0.54 0.00 0.00 175.26 177.69 1kfi h THR 542 N 3.48 0.76 -0.88 -1.70 1.03 -1.96 -1.66 112.91 111.99 1kfi h THR 542 Ca -0.51 -0.03 0.15 0.00 -0.01 0.00 0.00 66.41 66.00 1kfi h THR 542 Cb 1.21 0.66 -0.07 0.00 -1.07 0.00 0.00 68.15 68.88 1kfi h THR 542 CO 0.63 0.02 0.57 0.00 -0.01 0.00 0.00 175.52 176.72 1kfi h ALA 543 N 1.28 1.88 -0.30 0.00 0.00 -1.95 0.30 119.26 120.48 1kfi h ALA 543 Ca 0.16 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1kfi h ALA 543 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1kfi h ALA 543 CO -0.27 -0.12 -0.47 1.15 0.00 0.00 0.00 179.25 179.55 1kfi h THR 544 N 0.65 1.29 0.00 0.00 2.02 -1.75 -2.34 112.91 112.77 1kfi h THR 544 Ca 0.44 -1.66 -0.15 0.00 0.77 0.00 0.00 66.41 65.81 1kfi h THR 544 Cb 0.75 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1kfi h THR 544 CO -0.20 0.54 -0.72 0.00 0.37 0.00 0.00 175.52 175.51 1kfi h ALA 545 N 0.85 0.67 0.00 6.16 0.00 -0.14 -3.28 119.26 123.51 1kfi h ALA 545 Ca 0.03 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1kfi h ALA 545 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1kfi h ALA 545 CO 0.10 0.90 -0.53 1.28 0.00 0.00 0.00 179.25 181.01 1kfi n LEU 546 N -3.48 0.52 -0.33 0.00 4.77 0.87 -4.57 117.00 114.78 1kfi n LEU 546 Ca -0.00 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 1kfi n LEU 546 Cb 0.76 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1kfi n LEU 546 CO 0.43 0.11 0.44 0.00 -1.33 0.00 0.00 177.39 177.04 1kfi n ALA 547 N -1.53 -0.51 0.27 -1.18 0.00 -0.89 0.82 120.51 117.48 1kfi n ALA 547 Ca 0.05 0.68 -0.18 0.00 0.00 0.00 0.00 53.44 53.99 1kfi n ALA 547 Cb 0.35 -0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 1kfi n ALA 547 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1kfi h ASN 548 N 0.00 -1.44 -0.25 0.00 4.21 -1.85 0.62 115.58 116.88 1kfi h ASN 548 Ca 0.13 0.12 0.01 0.00 1.21 0.00 0.00 56.30 57.77 1kfi h ASN 548 Cb 0.33 0.48 -0.01 0.00 -1.12 0.00 0.00 38.32 38.00 1kfi h ASN 548 CO -0.75 -0.66 0.17 -0.29 -1.29 0.00 0.00 177.43 174.61 1kfi h ILE 549 N -0.98 1.04 -0.40 2.81 2.10 -1.73 -0.04 117.51 120.32 1kfi h ILE 549 Ca -0.05 -0.10 -0.15 0.00 1.08 0.00 0.00 64.86 65.63 1kfi h ILE 549 Cb 0.86 0.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.30 1kfi h ILE 549 CO -0.10 0.05 -0.33 0.40 -1.08 0.00 0.00 178.15 177.09 1kfi h ILE 550 N 0.30 1.27 -0.43 2.19 2.04 0.88 -0.50 117.51 123.27 1kfi h ILE 550 Ca 0.10 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.40 1kfi h ILE 550 Cb 0.02 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1kfi h ILE 550 CO -0.02 0.50 0.06 0.50 0.00 0.00 0.00 178.15 179.19 1kfi h LYS 551 N 0.75 0.72 -0.58 2.37 3.64 0.44 -1.97 116.57 121.95 1kfi h LYS 551 Ca 0.07 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1kfi h LYS 551 Cb 0.91 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1kfi h LYS 551 CO 0.08 0.76 0.25 1.25 -2.27 0.00 0.00 179.45 179.52 1kfi h LEU 552 N 0.57 0.78 -0.36 5.20 5.85 -0.91 -2.22 115.31 124.22 1kfi h LEU 552 Ca 0.13 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1kfi h LEU 552 Cb 0.40 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1kfi h LEU 552 CO 0.01 0.72 0.18 1.23 -0.34 0.00 0.00 178.44 180.25 1kfi h GLY 553 N 0.79 0.49 1.75 3.75 0.00 -0.86 -1.41 103.07 107.58 1kfi h GLY 553 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 1kfi h GLY 553 CO -0.02 0.10 -0.22 1.41 0.00 0.00 0.00 176.54 177.81 1kfi h LEU 554 N 0.37 0.29 0.27 3.11 3.38 -1.26 -2.37 115.31 119.11 1kfi h LEU 554 Ca 0.15 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1kfi h LEU 554 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1kfi h LEU 554 CO -0.10 0.52 -0.13 -0.33 0.09 0.00 0.00 178.44 178.49 1kfi h GLU 555 N 0.27 -0.35 0.00 1.13 5.08 -1.05 -1.12 114.58 118.54 1kfi h GLU 555 Ca 0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1kfi h GLU 555 Cb 0.54 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1kfi h GLU 555 CO 0.04 0.00 -0.05 -0.84 -1.00 0.00 0.00 179.01 177.16 1kfi h ILE 556 N -0.87 0.18 0.07 3.13 3.07 -1.29 -2.81 117.51 119.00 1kfi h ILE 556 Ca -0.04 -0.50 -0.32 0.00 1.55 0.00 0.00 64.86 65.55 1kfi h ILE 556 Cb 0.51 1.42 -0.03 0.00 -0.27 0.00 0.00 36.82 38.46 1kfi h ILE 556 CO 0.06 0.05 -1.72 0.77 -1.05 0.00 0.00 178.15 176.26 1kfi h SER 557 N 0.00 0.25 -6.11 2.16 4.64 -1.49 -3.43 113.55 109.57 1kfi h SER 557 Ca -0.00 -0.46 -0.44 0.00 -0.47 0.00 0.00 61.79 60.42 1kfi h SER 557 Cb 0.42 -0.08 0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1kfi h SER 557 CO 0.01 1.40 -0.73 -0.67 -0.87 0.00 0.00 176.83 175.97 1kfi n ASP 558 N -3.31 -5.25 -0.13 4.97 4.64 -0.43 -4.87 116.55 112.18 1kfi n ASP 558 Ca -0.21 -0.69 0.03 0.00 -1.38 0.00 0.00 54.79 52.55 1kfi n ASP 558 Cb 1.04 -4.35 0.34 0.00 -1.04 0.00 0.00 41.12 37.11 1kfi n ASP 558 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1kfi h ILE 559 N -2.32 1.11 -0.34 5.18 2.10 -1.89 -2.61 117.51 118.75 1kfi h ILE 559 Ca -0.58 -0.27 -0.05 0.00 1.08 0.00 0.00 64.86 65.04 1kfi h ILE 559 Cb 1.37 0.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.34 1kfi h ILE 559 CO 0.62 0.14 -0.01 0.00 -1.08 0.00 0.00 178.15 177.83 1kfi h ALA 560 N 1.62 1.36 0.04 0.18 0.00 -1.89 0.96 119.26 121.54 1kfi h ALA 560 Ca 0.24 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1kfi h ALA 560 Cb 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1kfi h ALA 560 CO -0.06 0.44 -1.01 1.96 0.00 0.00 0.00 179.25 180.58 1kfi h GLN 561 N 0.51 0.26 0.03 0.00 4.20 -1.78 -0.09 115.11 118.23 1kfi h GLN 561 Ca 0.11 -0.33 -0.22 0.00 0.06 0.00 0.00 58.65 58.26 1kfi h GLN 561 Cb 0.34 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1kfi h GLN 561 CO 0.01 1.07 -1.05 0.74 -0.67 0.00 0.00 178.83 178.94 1kfi h PHE 562 N 0.12 0.10 0.00 2.96 0.04 -1.25 -3.38 116.94 115.54 1kfi h PHE 562 Ca -0.08 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.58 1kfi h PHE 562 Cb 1.68 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.82 1kfi h PHE 562 CO 0.05 1.06 -1.56 0.25 -0.60 0.00 0.00 178.31 177.50 1kfi n THR 563 N -3.39 0.13 -1.40 -1.55 -2.24 0.31 -4.45 114.28 101.70 1kfi n THR 563 Ca -0.02 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1kfi n THR 563 Cb 0.96 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 1kfi n THR 563 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfi n GLY 564 N 1.94 0.47 3.08 3.38 0.00 -0.05 -4.68 105.19 109.33 1kfi n GLY 564 Ca -0.05 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1kfi n GLY 564 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kfi s ARG 565 N -2.85 2.70 0.00 1.61 1.81 -1.23 -4.97 118.95 116.02 1kfi s ARG 565 Ca 0.00 -0.75 0.28 0.00 -1.72 0.00 0.00 55.73 53.53 1kfi s ARG 565 Cb 0.00 -2.42 1.06 0.00 -0.45 0.00 0.00 34.95 33.14 1kfi s ARG 565 CO 0.00 -0.24 1.76 0.09 -0.68 0.00 0.00 175.30 176.23 1kfi n ASN 566 N 4.67 0.60 -3.73 0.23 5.03 -1.26 -3.84 115.26 116.96 1kfi n ASN 566 Ca -0.19 -0.60 -0.13 0.00 0.87 0.00 0.00 54.58 54.54 1kfi n ASN 566 Cb 0.50 -0.02 -0.07 0.00 -1.02 0.00 0.00 39.78 39.16 1kfi n ASN 566 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1kfi s GLU 567 N -2.53 0.80 0.83 3.52 0.41 -1.26 -5.04 118.70 115.43 1kfi s GLU 567 Ca 0.26 -0.34 -0.11 0.00 -0.41 0.00 0.00 54.97 54.36 1kfi s GLU 567 Cb 0.20 0.35 0.09 0.00 -1.78 0.00 0.00 34.13 32.99 1kfi s GLU 567 CO 0.50 -0.25 1.10 -1.25 -0.49 0.00 0.00 175.26 174.87 1kfi s PRO 568 N -2.09 1.81 0.12 0.39 0.04 -1.26 -4.96 135.00 129.06 1kfi s PRO 568 Ca -0.08 0.68 -0.11 0.00 0.04 0.00 0.00 61.00 61.53 1kfi s PRO 568 Cb -0.02 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.52 1kfi s PRO 568 CO -0.00 -1.82 1.35 1.15 0.04 0.00 0.00 177.00 177.72 1kfi h THR 569 N -1.24 1.28 -3.53 1.26 2.02 0.65 -3.46 112.91 109.91 1kfi h THR 569 Ca -0.48 -1.92 -0.19 0.00 0.77 0.00 0.00 66.41 64.60 1kfi h THR 569 Cb 1.27 1.89 -0.25 0.00 -1.74 0.00 0.00 68.15 69.32 1kfi h THR 569 CO 0.58 0.61 -0.59 -0.69 0.37 0.00 0.00 175.52 175.80 1kfi s VAL 570 N -3.85 0.02 -0.12 3.16 1.01 -0.98 -5.00 120.40 114.65 1kfi s VAL 570 Ca -0.10 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1kfi s VAL 570 Cb 0.09 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.28 1kfi s VAL 570 CO 0.90 -0.11 -0.15 -0.63 0.00 0.00 0.00 175.10 175.11 1kfi s ILE 571 N -0.33 1.51 0.00 2.22 1.01 -1.26 -1.49 121.20 122.86 1kfi s ILE 571 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1kfi s ILE 571 Cb -0.03 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1kfi s ILE 571 CO 0.00 0.45 0.14 0.35 0.00 0.00 0.00 174.94 175.88