#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ild s GLU 8 N 0.00 3.99 0.08 5.55 2.02 -1.26 -3.85 118.70 125.22 3ild s GLU 8 Ca 0.00 -0.32 0.09 0.00 0.02 0.00 0.00 54.97 54.76 3ild s GLU 8 Cb 0.00 -3.39 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3ild s GLU 8 CO 0.00 0.12 -0.25 -0.47 0.02 0.00 0.00 175.26 174.68 3ild s TYR 9 N 0.84 2.15 -0.23 1.61 5.04 -1.23 -4.94 117.35 120.59 3ild s TYR 9 Ca 0.06 -0.40 -0.07 0.00 -2.44 0.00 0.00 57.07 54.22 3ild s TYR 9 Cb -0.13 -1.24 -0.03 0.00 0.35 0.00 0.00 41.96 40.91 3ild s TYR 9 CO 0.02 0.19 0.07 -2.00 -1.34 0.00 0.00 175.55 172.50 3ild s GLU 10 N -1.53 3.76 0.13 4.97 2.12 -1.26 -2.90 118.70 123.99 3ild s GLU 10 Ca 0.11 -0.43 0.09 0.00 0.36 0.00 0.00 54.97 55.10 3ild s GLU 10 Cb -0.10 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 3ild s GLU 10 CO 0.03 -0.06 -0.22 0.14 -0.54 0.00 0.00 175.26 174.61 3ild s VAL 11 N 1.27 1.96 0.12 3.70 -7.23 -1.20 -5.04 120.40 113.99 3ild s VAL 11 Ca 0.05 -1.74 -0.16 0.00 -1.81 0.00 0.00 61.98 58.32 3ild s VAL 11 Cb -0.15 -1.81 -0.07 0.00 0.56 0.00 0.00 36.38 34.92 3ild s VAL 11 CO 0.04 -0.08 0.56 -0.69 -0.31 0.00 0.00 175.10 174.62 3ild s VAL 12 N -1.38 4.81 -0.32 1.32 1.01 -1.26 -1.06 120.40 123.52 3ild s VAL 12 Ca 0.12 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.12 3ild s VAL 12 Cb -0.09 -3.79 0.17 0.00 0.00 0.00 0.00 36.38 32.66 3ild s VAL 12 CO 0.06 0.36 0.45 -0.55 0.00 0.00 0.00 175.10 175.42 3ild s SER 13 N -1.48 0.08 -0.06 3.32 0.15 -0.83 -1.89 113.70 112.99 3ild s SER 13 Ca 0.34 -0.64 -0.06 0.00 0.70 0.00 0.00 55.95 56.29 3ild s SER 13 Cb -0.17 1.20 0.02 0.00 -1.71 0.00 0.00 66.02 65.36 3ild s SER 13 CO 0.19 -0.30 0.18 -1.59 1.20 0.00 0.00 173.24 172.91 3ild s LYS 14 N 2.24 0.24 -0.26 5.44 -2.85 0.06 -3.74 119.74 120.87 3ild s LYS 14 Ca 0.12 0.18 -0.01 0.00 -1.00 0.00 0.00 55.97 55.27 3ild s LYS 14 Cb -0.12 0.11 0.04 0.00 -2.06 0.00 0.00 37.83 35.80 3ild s LYS 14 CO -0.21 -0.03 -0.07 1.21 0.10 0.00 0.00 175.35 176.35 3ild s ASN 15 N -0.05 4.39 0.36 0.03 2.47 -1.23 -1.20 114.94 119.71 3ild s ASN 15 Ca -0.01 -1.06 0.08 0.00 0.42 0.00 0.00 52.86 52.29 3ild s ASN 15 Cb -0.02 -1.64 -0.05 0.00 -1.45 0.00 0.00 41.25 38.09 3ild s ASN 15 CO 0.00 -0.16 0.08 -0.76 -3.72 0.00 0.00 177.10 172.54 3ild s LEU 16 N 1.26 3.06 0.40 3.21 1.43 0.61 -1.88 118.68 126.77 3ild s LEU 16 Ca -0.03 -1.00 0.07 0.00 -1.03 0.00 0.00 54.13 52.14 3ild s LEU 16 Cb -0.18 -1.41 0.83 0.00 0.03 0.00 0.00 46.19 45.46 3ild s LEU 16 CO -0.04 -0.35 2.02 0.74 0.23 0.00 0.00 176.35 178.95 3ild h THR 17 N 1.66 1.12 0.00 5.49 2.02 -2.02 -3.01 112.91 118.17 3ild h THR 17 Ca -0.43 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.40 3ild h THR 17 Cb 1.25 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3ild h THR 17 CO 0.68 0.14 -0.02 0.77 0.37 0.00 0.00 175.52 177.46 3ild h SER 18 N 0.49 0.00 -5.15 4.18 4.64 -1.97 -3.48 113.55 112.26 3ild h SER 18 Ca 0.12 -0.97 -0.07 0.00 -0.47 0.00 0.00 61.79 60.41 3ild h SER 18 Cb 0.05 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.02 3ild h SER 18 CO -0.02 0.99 -0.21 -1.59 -0.87 0.00 0.00 176.83 175.13 3ild s LYS 19 N -2.20 1.05 0.28 4.77 -2.85 -1.14 -3.26 119.74 116.39 3ild s LYS 19 Ca -0.19 -0.91 0.11 0.00 -1.00 0.00 0.00 55.97 53.98 3ild s LYS 19 Cb -0.03 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 36.10 3ild s LYS 19 CO 0.67 -0.39 -0.19 1.41 0.10 0.00 0.00 175.35 176.95 3ild s MET 20 N -3.87 1.66 -0.22 1.78 -2.45 -0.63 -0.28 119.30 115.30 3ild s MET 20 Ca 0.07 -1.77 -0.04 0.00 -1.25 0.00 0.00 55.69 52.71 3ild s MET 20 Cb 0.03 -1.71 0.11 0.00 1.25 0.00 0.00 34.83 34.51 3ild s MET 20 CO -0.08 0.30 0.34 -1.12 1.05 0.00 0.00 175.02 175.51 3ild s SER 21 N -3.50 0.42 -0.35 1.11 0.01 -0.34 -1.12 113.70 109.93 3ild s SER 21 Ca 0.30 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.84 3ild s SER 21 Cb -0.04 0.95 0.09 0.00 0.21 0.00 0.00 66.02 67.23 3ild s SER 21 CO 0.14 -0.29 0.07 -2.28 0.41 0.00 0.00 173.24 171.30 3ild s HIS 22 N 2.50 3.55 -0.13 2.43 2.46 0.37 -0.76 115.29 125.70 3ild s HIS 22 Ca 0.08 -2.50 -0.01 0.00 0.47 0.00 0.00 55.06 53.11 3ild s HIS 22 Cb -0.15 -2.74 -0.02 0.00 -0.13 0.00 0.00 32.58 29.54 3ild s HIS 22 CO -0.14 -0.92 -0.11 -1.21 -2.47 0.00 0.00 174.74 169.90 3ild s GLU 23 N 1.08 3.37 -0.05 2.88 2.02 -0.79 -0.45 118.70 126.75 3ild s GLU 23 Ca 0.04 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.39 3ild s GLU 23 Cb -0.21 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.37 3ild s GLU 23 CO -0.05 0.27 0.01 -0.51 0.02 0.00 0.00 175.26 175.00 3ild s LEU 24 N 0.22 0.77 0.74 1.80 1.43 0.13 -4.77 118.68 119.01 3ild s LEU 24 Ca -0.07 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 3ild s LEU 24 Cb -0.15 -0.32 0.04 0.00 0.03 0.00 0.00 46.19 45.78 3ild s LEU 24 CO 0.05 -0.16 1.08 -0.76 0.23 0.00 0.00 176.35 176.78 3ild s LEU 25 N 1.59 3.02 -0.04 1.79 1.43 -1.26 -0.14 118.68 125.07 3ild s LEU 25 Ca -0.01 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.72 3ild s LEU 25 Cb -0.13 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.66 3ild s LEU 25 CO -0.03 -1.77 0.12 0.12 0.23 0.00 0.00 176.35 175.02 3ild s PHE 26 N -2.99 -0.13 -0.50 0.29 5.36 -0.47 -3.08 117.98 116.45 3ild s PHE 26 Ca 0.60 0.31 -0.18 0.00 -0.96 0.00 0.00 56.93 56.69 3ild s PHE 26 Cb -0.15 0.04 0.07 0.00 -0.34 0.00 0.00 43.02 42.64 3ild s PHE 26 CO 0.55 -0.07 0.55 0.45 -1.46 0.00 0.00 175.22 175.25 3ild s SER 27 N 0.02 6.19 0.24 6.13 0.15 -1.08 -2.18 113.70 123.18 3ild s SER 27 Ca -0.00 -1.12 -0.05 0.00 0.70 0.00 0.00 55.95 55.48 3ild s SER 27 Cb -0.01 -2.25 0.37 0.00 -1.71 0.00 0.00 66.02 62.41 3ild s SER 27 CO 0.00 -0.83 1.83 0.58 1.20 0.00 0.00 173.24 176.02 3ild h VAL 28 N 5.83 0.98 0.46 4.45 2.07 -1.87 2.97 116.25 131.15 3ild h VAL 28 Ca -0.28 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3ild h VAL 28 Cb 1.10 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ild h VAL 28 CO 0.95 0.16 -0.47 0.50 0.02 0.00 0.00 177.57 178.73 3ild h LYS 29 N 0.89 -0.91 0.00 1.57 3.64 -1.91 -3.21 116.57 116.64 3ild h LYS 29 Ca 0.39 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3ild h LYS 29 Cb 0.27 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3ild h LYS 29 CO -0.21 -0.60 -0.19 0.87 -2.27 0.00 0.00 179.45 177.05 3ild h LYS 30 N -0.94 0.00 -5.80 1.90 1.57 -1.93 -3.48 116.57 107.88 3ild h LYS 30 Ca -0.05 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.32 3ild h LYS 30 Cb 0.83 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.24 3ild h LYS 30 CO -0.07 0.00 -0.69 0.54 -0.57 0.00 0.00 179.45 178.67 3ild n ARG 31 N -2.41 -7.29 -3.55 3.15 1.74 0.99 -4.86 116.66 104.43 3ild n ARG 31 Ca 0.04 0.80 -0.07 0.00 -0.77 0.00 0.00 57.85 57.86 3ild n ARG 31 Cb 0.46 -5.81 -0.02 0.00 -1.02 0.00 0.00 32.46 26.07 3ild n ARG 31 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3ild s TRP 32 N -3.30 -0.26 0.70 -1.55 -0.11 -1.21 -3.97 118.94 109.24 3ild s TRP 32 Ca 0.58 0.14 -0.16 0.00 1.22 0.00 0.00 56.10 57.87 3ild s TRP 32 Cb -0.26 0.54 0.01 0.00 -1.50 0.00 0.00 33.47 32.26 3ild s TRP 32 CO 0.71 -0.45 1.18 1.19 -4.62 0.00 0.00 176.95 174.96 3ild n PHE 33 N -0.22 1.43 -2.90 5.86 3.72 -1.26 -2.62 117.46 121.47 3ild n PHE 33 Ca -0.06 0.41 -0.41 0.00 -0.05 0.00 0.00 57.45 57.35 3ild n PHE 33 Cb 0.61 -2.18 -0.04 0.00 -0.94 0.00 0.00 39.48 36.93 3ild n PHE 33 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3ild s VAL 34 N -1.67 4.96 -0.25 -4.37 1.01 -1.18 -4.79 120.40 114.11 3ild s VAL 34 Ca 0.78 1.69 -0.31 0.00 0.00 0.00 0.00 61.98 64.14 3ild s VAL 34 Cb -0.35 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 31.79 3ild s VAL 34 CO 0.45 0.18 2.18 1.17 0.00 0.00 0.00 175.10 179.08 3ild n LYS 35 N 4.09 1.70 -3.14 2.72 3.00 -1.26 -4.85 118.16 120.42 3ild n LYS 35 Ca 0.02 0.48 -0.39 0.00 -0.00 0.00 0.00 58.31 58.43 3ild n LYS 35 Cb 0.51 -2.93 -0.05 0.00 0.00 0.00 0.00 35.03 32.56 3ild n LYS 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3ild s PRO 36 N 6.10 4.40 -0.04 1.64 0.05 -1.26 -4.42 135.00 141.47 3ild s PRO 36 Ca 1.03 0.74 -0.24 0.00 0.05 0.00 0.00 61.00 62.58 3ild s PRO 36 Cb -0.54 -3.44 -0.18 0.00 0.05 0.00 0.00 34.50 30.39 3ild s PRO 36 CO 0.41 0.12 1.07 0.27 0.05 0.00 0.00 177.00 178.92 3ild h PHE 37 N 6.66 -0.15 -3.32 0.56 -5.15 -1.93 -3.45 116.94 110.16 3ild h PHE 37 Ca -0.41 -0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 56.69 3ild h PHE 37 Cb 1.19 0.05 -0.13 0.00 0.22 0.00 0.00 35.95 37.28 3ild h PHE 37 CO 0.64 0.31 -0.63 0.50 -2.00 0.00 0.00 178.31 177.13 3ild s ARG 38 N -3.86 2.87 -0.39 6.09 3.52 -1.26 -5.04 118.95 120.89 3ild s ARG 38 Ca -0.14 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 3ild s ARG 38 Cb 0.01 -2.73 0.13 0.00 -1.56 0.00 0.00 34.95 30.81 3ild s ARG 38 CO 0.57 0.65 0.21 -3.38 -0.81 0.00 0.00 175.30 172.53 3ild s HIS 39 N -1.05 1.41 -0.03 5.12 -3.43 -1.26 -1.69 115.29 114.36 3ild s HIS 39 Ca 0.18 -1.99 -0.30 0.00 -0.80 0.00 0.00 55.06 52.16 3ild s HIS 39 Cb -0.12 -1.47 -0.06 0.00 -1.43 0.00 0.00 32.58 29.51 3ild s HIS 39 CO 0.09 -0.81 1.61 0.34 -2.00 0.00 0.00 174.74 173.96 3ild s ASP 40 N 0.83 6.69 0.00 7.38 2.15 -0.74 -4.89 116.67 128.11 3ild s ASP 40 Ca 0.17 2.23 0.24 0.00 0.43 0.00 0.00 52.55 55.62 3ild s ASP 40 Cb -0.23 -2.54 0.27 0.00 -0.30 0.00 0.00 42.92 40.12 3ild s ASP 40 CO -0.04 -0.89 1.25 0.54 -0.17 0.00 0.00 175.17 175.86 3ild n ARG 41 N 6.67 0.09 0.16 4.34 1.74 -1.26 -2.75 116.66 125.65 3ild n ARG 41 Ca 0.16 -0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.30 3ild n ARG 41 Cb 0.43 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.56 3ild n ARG 41 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3ild h GLN 42 N 0.16 0.00 0.00 5.56 1.08 -1.95 -3.39 115.11 116.57 3ild h GLN 42 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ild h GLN 42 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3ild h GLN 42 CO 0.00 0.00 -0.49 1.28 -0.95 0.00 0.00 178.83 178.67 3ild n LEU 43 N -2.75 0.00 -0.72 1.46 4.77 -1.26 -5.06 117.00 113.44 3ild n LEU 43 Ca 0.04 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3ild n LEU 43 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3ild n LEU 43 CO 0.34 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3ild n GLY 44 N 1.25 0.58 3.19 -0.72 0.00 -1.25 -4.98 105.19 103.27 3ild n GLY 44 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 3ild n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ild s LYS 45 N -2.48 0.64 0.19 1.61 1.02 -1.11 -1.96 119.74 117.64 3ild s LYS 45 Ca 0.00 -0.39 0.09 0.00 0.02 0.00 0.00 55.97 55.69 3ild s LYS 45 Cb 0.00 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.54 3ild s LYS 45 CO 0.00 -0.18 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.55 3ild s LEU 46 N -1.62 2.47 0.01 3.17 1.43 -0.22 -1.78 118.68 122.14 3ild s LEU 46 Ca -0.11 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.14 3ild s LEU 46 Cb -0.04 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 3ild s LEU 46 CO 0.01 -0.02 -0.16 -1.00 0.23 0.00 0.00 176.35 175.40 3ild s HIS 47 N -2.17 1.46 -0.05 0.29 3.76 -0.68 -3.23 115.29 114.67 3ild s HIS 47 Ca 0.19 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.81 3ild s HIS 47 Cb -0.05 -0.91 0.01 0.00 1.11 0.00 0.00 32.58 32.74 3ild s HIS 47 CO 0.08 0.01 -0.10 0.71 -0.85 0.00 0.00 174.74 174.59 3ild s TYR 48 N -0.57 1.25 -0.28 1.40 2.02 -1.14 -3.18 117.35 116.84 3ild s TYR 48 Ca 0.05 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.21 3ild s TYR 48 Cb -0.07 -0.93 -0.05 0.00 -0.40 0.00 0.00 41.96 40.51 3ild s TYR 48 CO 0.00 -0.23 0.23 0.15 -1.57 0.00 0.00 175.55 174.13 3ild s LYS 49 N 0.64 3.97 -0.17 -0.62 1.02 -1.26 -3.57 119.74 119.75 3ild s LYS 49 Ca -0.12 -0.23 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 3ild s LYS 49 Cb -0.15 -3.66 0.08 0.00 -0.52 0.00 0.00 37.83 33.58 3ild s LYS 49 CO 0.03 -0.20 0.36 -0.51 -0.92 0.00 0.00 175.35 174.11 3ild s LEU 50 N 1.82 -0.39 0.05 3.17 1.43 -1.25 -4.91 118.68 118.60 3ild s LEU 50 Ca 0.09 0.83 -0.35 0.00 -1.03 0.00 0.00 54.13 53.67 3ild s LEU 50 Cb -0.16 1.12 -0.15 0.00 0.03 0.00 0.00 46.19 47.04 3ild s LEU 50 CO 0.11 -0.22 1.57 0.18 0.23 0.00 0.00 176.35 178.21 3ild n LEU 51 N 5.12 2.62 -4.67 1.79 4.77 -1.26 -4.38 117.00 120.99 3ild n LEU 51 Ca -0.11 1.08 -0.49 0.00 -0.03 0.00 0.00 56.01 56.46 3ild n LEU 51 Cb 0.51 -1.31 -0.05 0.00 -2.33 0.00 0.00 43.42 40.24 3ild n LEU 51 CO 0.03 -0.50 1.26 -2.65 -1.33 0.00 0.00 177.39 174.20 3ild n PRO 52 N 3.88 1.93 0.00 3.23 -0.02 -1.26 -4.76 135.00 137.99 3ild n PRO 52 Ca 0.19 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3ild n PRO 52 Cb 0.24 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3ild n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ild n GLY 53 N 3.67 -0.69 3.62 -1.23 0.00 -1.13 -4.94 105.19 104.48 3ild n GLY 53 Ca 0.20 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3ild n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ild s ASN 54 N -4.00 5.79 0.01 1.61 -0.87 -1.26 -3.11 114.94 113.11 3ild s ASN 54 Ca 0.00 0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 3ild s ASN 54 Cb 0.00 -2.03 -0.01 0.00 -0.02 0.00 0.00 41.25 39.19 3ild s ASN 54 CO 0.00 0.08 -0.02 -0.31 -2.57 0.00 0.00 177.10 174.28 3ild s TYR 55 N 0.93 0.22 -0.26 2.20 2.02 -0.68 -2.97 117.35 118.80 3ild s TYR 55 Ca 0.06 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.36 3ild s TYR 55 Cb -0.13 -0.15 -0.05 0.00 -0.40 0.00 0.00 41.96 41.23 3ild s TYR 55 CO 0.03 -0.10 0.15 0.42 -1.57 0.00 0.00 175.55 174.49 3ild s ILE 56 N -0.82 5.11 -0.31 2.71 1.01 -0.93 0.60 121.20 128.57 3ild s ILE 56 Ca -0.08 0.10 -0.24 0.00 0.00 0.00 0.00 60.65 60.42 3ild s ILE 56 Cb -0.06 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3ild s ILE 56 CO -0.00 0.30 0.83 0.00 0.00 0.00 0.00 174.94 176.07 3ild s ALA 57 N 1.50 3.52 -0.26 9.38 0.00 0.19 -1.37 121.76 134.72 3ild s ALA 57 Ca 0.07 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 3ild s ALA 57 Cb -0.15 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3ild s ALA 57 CO 0.08 -1.27 0.22 -0.06 0.00 0.00 0.00 175.76 174.73 3ild s PHE 58 N 3.08 3.27 -0.03 0.00 0.08 0.80 -0.49 117.98 124.70 3ild s PHE 58 Ca 0.34 0.24 0.07 0.00 0.12 0.00 0.00 56.93 57.70 3ild s PHE 58 Cb -0.14 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 3ild s PHE 58 CO 0.13 -0.07 -0.22 0.20 -0.10 0.00 0.00 175.22 175.16 3ild s GLY 59 N 1.41 1.37 -0.11 4.36 0.00 -0.58 0.19 107.32 113.96 3ild s GLY 59 Ca 0.09 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 3ild s GLY 59 CO 0.08 -0.89 0.09 -2.27 0.00 0.00 0.00 173.10 170.11 3ild s LEU 60 N -0.70 0.19 -0.05 0.66 2.96 0.41 -1.84 118.68 120.31 3ild s LEU 60 Ca 0.11 -0.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3ild s LEU 60 Cb -0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.44 3ild s LEU 60 CO -0.00 -0.30 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.27 3ild s TYR 61 N 2.18 2.67 -0.08 5.38 2.02 -0.67 0.14 117.35 128.99 3ild s TYR 61 Ca 0.04 -0.22 -0.03 0.00 -0.37 0.00 0.00 57.07 56.49 3ild s TYR 61 Cb -0.14 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3ild s TYR 61 CO -0.06 0.14 0.13 0.08 -1.57 0.00 0.00 175.55 174.27 3ild s VAL 62 N -0.65 -0.22 -0.42 0.71 1.01 -0.28 -1.44 120.40 119.12 3ild s VAL 62 Ca 0.10 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 3ild s VAL 62 Cb -0.11 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 36.01 3ild s VAL 62 CO 0.01 0.13 0.43 -0.76 0.00 0.00 0.00 175.10 174.91 3ild s LEU 63 N 2.26 4.85 0.23 3.92 1.43 -0.78 -1.60 118.68 128.99 3ild s LEU 63 Ca 0.04 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.53 3ild s LEU 63 Cb -0.12 -2.37 0.22 0.00 0.03 0.00 0.00 46.19 43.95 3ild s LEU 63 CO -0.05 -0.56 1.53 0.11 0.23 0.00 0.00 176.35 177.61 3ild h LYS 64 N 8.71 0.17 0.00 1.70 1.57 -1.79 -1.13 116.57 125.80 3ild h LYS 64 Ca -0.27 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3ild h LYS 64 Cb 1.11 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3ild h LYS 64 CO 0.78 0.77 0.00 0.09 -0.57 0.00 0.00 179.45 180.53 3ild n ASN 65 N -3.81 0.00 0.00 0.86 3.02 -1.26 -1.51 115.26 112.56 3ild n ASN 65 Ca -0.02 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 3ild n ASN 65 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 3ild n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ild n GLN 66 N -0.81 1.17 -3.70 3.52 1.13 -1.12 -4.99 117.38 112.57 3ild n GLN 66 Ca 0.10 -0.24 -0.28 0.00 -1.94 0.00 0.00 57.00 54.64 3ild n GLN 66 Cb 0.05 -0.70 0.02 0.00 0.11 0.00 0.00 30.24 29.72 3ild n GLN 66 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3ild n ASP 67 N -0.24 -4.74 -4.54 1.08 2.03 -0.57 -4.88 116.55 104.69 3ild n ASP 67 Ca 0.00 -0.64 -0.33 0.00 0.52 0.00 0.00 54.79 54.34 3ild n ASP 67 Cb 0.05 -3.81 -0.12 0.00 -0.72 0.00 0.00 41.12 36.52 3ild n ASP 67 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3ild s TYR 68 N -3.20 2.82 -0.17 -0.67 5.04 -0.45 0.63 117.35 121.35 3ild s TYR 68 Ca 0.57 -0.06 -0.07 0.00 -2.44 0.00 0.00 57.07 55.07 3ild s TYR 68 Cb -0.29 -1.66 0.07 0.00 0.35 0.00 0.00 41.96 40.43 3ild s TYR 68 CO 0.71 0.27 0.38 0.00 -1.34 0.00 0.00 175.55 175.57 3ild s ALA 69 N -0.80 -0.98 -0.23 3.97 0.00 0.33 -1.86 121.76 122.19 3ild s ALA 69 Ca 0.13 1.39 -0.10 0.00 0.00 0.00 0.00 51.96 53.37 3ild s ALA 69 Cb -0.11 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 3ild s ALA 69 CO 0.02 -0.51 0.15 0.50 0.00 0.00 0.00 175.76 175.91 3ild s ARG 70 N 2.03 4.05 -0.10 0.00 3.52 -0.52 -0.24 118.95 127.69 3ild s ARG 70 Ca -0.05 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.28 3ild s ARG 70 Cb -0.11 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 3ild s ARG 70 CO -0.12 0.08 -0.13 0.12 -0.81 0.00 0.00 175.30 174.44 3ild s PHE 71 N 0.97 2.77 0.06 5.12 5.36 0.20 -1.67 117.98 130.80 3ild s PHE 71 Ca 0.07 -0.43 0.03 0.00 -0.96 0.00 0.00 56.93 55.65 3ild s PHE 71 Cb -0.13 -1.75 -0.03 0.00 -0.34 0.00 0.00 43.02 40.76 3ild s PHE 71 CO 0.04 -0.04 -0.10 -1.21 -1.46 0.00 0.00 175.22 172.45 3ild s GLU 72 N -0.11 0.68 -0.10 10.12 2.02 -0.77 0.11 118.70 130.65 3ild s GLU 72 Ca -0.01 -0.90 -0.00 0.00 0.02 0.00 0.00 54.97 54.07 3ild s GLU 72 Cb -0.14 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.61 3ild s GLU 72 CO 0.03 0.10 -0.08 0.42 0.02 0.00 0.00 175.26 175.75 3ild s ILE 73 N -1.57 1.00 0.26 -1.63 1.01 0.67 -1.53 121.20 119.40 3ild s ILE 73 Ca -0.04 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 60.42 3ild s ILE 73 Cb -0.08 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 3ild s ILE 73 CO 0.01 0.36 -0.07 0.00 0.00 0.00 0.00 174.94 175.24 3ild s ALA 74 N 1.53 3.02 -0.24 9.38 0.00 0.36 -0.05 121.76 135.77 3ild s ALA 74 Ca 0.01 -1.69 -0.05 0.00 0.00 0.00 0.00 51.96 50.24 3ild s ALA 74 Cb -0.13 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3ild s ALA 74 CO -0.06 0.30 0.00 -0.46 0.00 0.00 0.00 175.76 175.54 3ild s TRP 75 N -2.28 3.02 -0.45 0.00 -0.11 -0.79 -0.64 118.94 117.69 3ild s TRP 75 Ca 0.30 -0.81 -0.17 0.00 1.22 0.00 0.00 56.10 56.64 3ild s TRP 75 Cb -0.06 -2.16 0.04 0.00 -1.50 0.00 0.00 33.47 29.79 3ild s TRP 75 CO 0.18 -0.50 0.43 0.08 -4.62 0.00 0.00 176.95 172.52 3ild s VAL 76 N 1.52 5.12 -0.32 5.86 1.01 0.20 -3.60 120.40 130.19 3ild s VAL 76 Ca 0.05 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3ild s VAL 76 Cb -0.15 -4.08 0.05 0.00 0.00 0.00 0.00 36.38 32.19 3ild s VAL 76 CO -0.01 -0.51 0.06 -2.28 0.00 0.00 0.00 175.10 172.36 3ild s HIS 77 N 2.00 3.27 -0.11 5.22 2.46 -1.09 -1.68 115.29 125.36 3ild s HIS 77 Ca 0.09 -1.66 0.03 0.00 0.47 0.00 0.00 55.06 53.99 3ild s HIS 77 Cb -0.20 -2.22 0.01 0.00 -0.13 0.00 0.00 32.58 30.03 3ild s HIS 77 CO 0.11 -0.77 -0.21 0.08 -2.47 0.00 0.00 174.74 171.47 3ild s VAL 78 N 1.32 1.90 0.71 0.89 1.01 -1.18 -2.81 120.40 122.24 3ild s VAL 78 Ca -0.03 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3ild s VAL 78 Cb -0.20 -1.67 0.14 0.00 0.00 0.00 0.00 36.38 34.65 3ild s VAL 78 CO 0.01 0.52 0.97 0.47 0.00 0.00 0.00 175.10 177.07 3ild n ASP 79 N 3.74 1.59 0.00 3.32 8.00 -1.17 -2.85 116.55 129.18 3ild n ASP 79 Ca -0.20 -2.27 0.06 0.00 0.71 0.00 0.00 54.79 53.09 3ild n ASP 79 Cb 0.52 -0.61 0.35 0.00 -0.02 0.00 0.00 41.12 41.37 3ild n ASP 79 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ild n LYS 80 N -2.74 0.32 -0.21 -1.24 4.81 -1.26 -1.08 118.16 116.75 3ild n LYS 80 Ca 0.17 0.06 0.11 0.00 -0.87 0.00 0.00 58.31 57.79 3ild n LYS 80 Cb 0.61 -1.50 0.22 0.00 0.02 0.00 0.00 35.03 34.38 3ild n LYS 80 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3ild n ASP 81 N -1.11 3.48 0.00 3.14 3.85 -1.26 -4.96 116.55 119.69 3ild n ASP 81 Ca 0.08 -1.98 0.00 0.00 -0.71 0.00 0.00 54.79 52.18 3ild n ASP 81 Cb 0.06 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 3ild n ASP 81 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ild n GLY 82 N 1.46 0.70 3.63 6.12 0.00 -0.25 -4.99 105.19 111.86 3ild n GLY 82 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3ild n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ild s LYS 83 N -0.27 3.79 0.32 1.61 2.20 -1.26 -4.82 119.74 121.32 3ild s LYS 83 Ca 0.00 1.43 -0.19 0.00 -0.36 0.00 0.00 55.97 56.85 3ild s LYS 83 Cb 0.00 -3.99 -0.09 0.00 -1.51 0.00 0.00 37.83 32.24 3ild s LYS 83 CO 0.00 -1.29 0.81 0.42 -0.36 0.00 0.00 175.35 174.93 3ild s ILE 84 N 5.01 4.53 -0.24 5.43 1.01 -1.26 -3.02 121.20 132.66 3ild s ILE 84 Ca 0.65 1.27 -0.13 0.00 0.00 0.00 0.00 60.65 62.44 3ild s ILE 84 Cb -0.21 -3.72 0.08 0.00 0.01 0.00 0.00 42.46 38.62 3ild s ILE 84 CO 0.28 -0.08 0.57 -0.70 0.00 0.00 0.00 174.94 175.01 3ild s GLU 85 N -2.66 0.56 0.40 2.79 2.12 -1.12 -5.03 118.70 115.76 3ild s GLU 85 Ca 0.53 1.07 0.04 0.00 0.36 0.00 0.00 54.97 56.97 3ild s GLU 85 Cb -0.13 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.35 3ild s GLU 85 CO 0.18 -0.16 0.06 -1.21 -0.54 0.00 0.00 175.26 173.59 3ild s GLU 86 N 1.68 1.88 -0.07 4.30 2.02 -1.26 -2.68 118.70 124.57 3ild s GLU 86 Ca -0.09 -2.11 -0.29 0.00 0.02 0.00 0.00 54.97 52.49 3ild s GLU 86 Cb -0.07 -1.04 0.11 0.00 0.10 0.00 0.00 34.13 33.23 3ild s GLU 86 CO -0.17 -0.28 0.91 1.03 0.02 0.00 0.00 175.26 176.77 3ild s ARG 87 N -3.81 0.76 -0.12 1.61 0.52 -1.24 -5.04 118.95 111.64 3ild s ARG 87 Ca 0.27 -0.08 -0.06 0.00 -0.52 0.00 0.00 55.73 55.34 3ild s ARG 87 Cb 0.06 0.35 -0.04 0.00 0.52 0.00 0.00 34.95 35.84 3ild s ARG 87 CO 0.13 -0.29 0.11 0.99 0.02 0.00 0.00 175.30 176.26 3ild s THR 88 N -2.17 5.26 -0.24 0.02 2.01 -1.26 -1.89 115.64 117.37 3ild s THR 88 Ca 0.01 0.12 0.17 0.00 0.31 0.00 0.00 61.69 62.30 3ild s THR 88 Cb -0.01 -3.28 -0.25 0.00 0.01 0.00 0.00 72.50 68.97 3ild s THR 88 CO -0.03 0.61 0.48 1.33 -0.69 0.00 0.00 174.62 176.32 3ild n VAL 89 N 2.08 0.00 -3.63 3.82 0.24 0.93 -4.89 118.33 116.87 3ild n VAL 89 Ca -0.20 -0.32 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 3ild n VAL 89 Cb 0.55 0.35 -0.07 0.00 -1.47 0.00 0.00 33.84 33.20 3ild n VAL 89 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ild s TYR 90 N -3.05 -0.73 -0.22 6.34 5.04 -0.64 -4.96 117.35 119.13 3ild s TYR 90 Ca -0.03 1.76 -0.08 0.00 -2.44 0.00 0.00 57.07 56.28 3ild s TYR 90 Cb 0.12 0.30 0.10 0.00 0.35 0.00 0.00 41.96 42.83 3ild s TYR 90 CO 0.72 -0.35 0.47 0.45 -1.34 0.00 0.00 175.55 175.50 3ild s SER 91 N 0.40 -0.44 0.05 4.32 0.15 -1.26 -0.24 113.70 116.68 3ild s SER 91 Ca 0.00 1.11 0.09 0.00 0.70 0.00 0.00 55.95 57.86 3ild s SER 91 Cb -0.05 1.53 -0.03 0.00 -1.71 0.00 0.00 66.02 65.76 3ild s SER 91 CO -0.01 -0.23 -0.26 -0.51 1.20 0.00 0.00 173.24 173.42 3ild s ILE 92 N 2.64 2.14 0.04 6.45 2.07 0.30 -4.97 121.20 129.88 3ild s ILE 92 Ca -0.03 -1.41 0.07 0.00 -1.41 0.00 0.00 60.65 57.87 3ild s ILE 92 Cb -0.12 -1.84 -0.03 0.00 0.13 0.00 0.00 42.46 40.60 3ild s ILE 92 CO -0.14 0.36 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.48 3ild s GLU 93 N -1.27 2.14 0.12 3.50 2.02 -1.26 0.63 118.70 124.57 3ild s GLU 93 Ca 0.12 -0.95 -0.25 0.00 0.02 0.00 0.00 54.97 53.91 3ild s GLU 93 Cb -0.10 -2.24 0.08 0.00 0.10 0.00 0.00 34.13 31.97 3ild s GLU 93 CO 0.02 0.54 1.10 -0.08 0.02 0.00 0.00 175.26 176.87 3ild s THR 94 N -0.97 0.00 0.23 3.63 -1.32 0.67 -4.96 115.64 112.92 3ild s THR 94 Ca 0.16 -0.47 -0.30 0.00 -1.21 0.00 0.00 61.69 59.86 3ild s THR 94 Cb -0.11 -2.70 -0.10 0.00 -1.51 0.00 0.00 72.50 68.09 3ild s THR 94 CO 0.06 0.00 1.39 -0.31 -2.21 0.00 0.00 174.62 173.55 3ild s TYR 95 N -2.31 3.11 0.27 9.09 2.02 -1.26 0.12 117.35 128.40 3ild s TYR 95 Ca 0.21 1.11 -0.02 0.00 -0.37 0.00 0.00 57.07 58.00 3ild s TYR 95 Cb -0.01 -3.73 0.36 0.00 -0.40 0.00 0.00 41.96 38.17 3ild s TYR 95 CO 0.03 -2.35 1.82 2.35 -1.57 0.00 0.00 175.55 175.82 3ild h TRP 96 N 5.14 0.92 -0.48 2.71 -0.00 -0.00 -2.13 115.95 122.11 3ild h TRP 96 Ca -0.46 -0.08 0.10 0.00 -0.00 0.00 0.00 58.89 58.45 3ild h TRP 96 Cb 1.22 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 30.08 3ild h TRP 96 CO 0.61 0.75 0.33 1.12 -0.00 0.00 0.00 178.44 181.25 3ild h HIS 97 N 0.86 0.23 -0.36 2.65 2.07 -1.91 -1.57 115.15 117.11 3ild h HIS 97 Ca 0.19 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.67 3ild h HIS 97 Cb 0.28 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 3ild h HIS 97 CO 0.02 0.11 0.04 0.82 -3.07 0.00 0.00 177.93 175.85 3ild h ILE 98 N 0.22 1.25 -0.61 6.12 2.04 -1.75 -2.82 117.51 121.95 3ild h ILE 98 Ca 0.22 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3ild h ILE 98 Cb 0.59 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3ild h ILE 98 CO -0.04 0.30 0.40 -0.26 0.00 0.00 0.00 178.15 178.55 3ild h PHE 99 N 0.45 0.67 -0.65 1.37 0.04 -1.32 -2.18 116.94 115.32 3ild h PHE 99 Ca 0.11 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3ild h PHE 99 Cb 0.39 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.29 3ild h PHE 99 CO 0.03 0.38 0.40 0.82 -0.60 0.00 0.00 178.31 179.34 3ild h ILE 100 N 0.69 1.19 -0.21 -0.55 2.04 -1.25 -2.71 117.51 116.70 3ild h ILE 100 Ca 0.25 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3ild h ILE 100 Cb 0.13 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3ild h ILE 100 CO -0.07 0.19 -0.29 -0.78 0.00 0.00 0.00 178.15 177.20 3ild h ASP 101 N 0.89 0.41 -0.79 1.72 3.58 -1.26 -2.85 116.42 118.12 3ild h ASP 101 Ca 0.24 -0.14 0.15 0.00 0.42 0.00 0.00 57.03 57.69 3ild h ASP 101 Cb -0.04 -0.11 -0.05 0.00 1.72 0.00 0.00 39.33 40.85 3ild h ASP 101 CO -0.05 0.69 0.52 0.40 -2.88 0.00 0.00 179.24 177.93 3ild h ILE 102 N 0.36 0.80 -0.26 2.25 2.04 -1.08 -0.27 117.51 121.35 3ild h ILE 102 Ca 0.05 -0.16 0.06 0.00 1.00 0.00 0.00 64.86 65.81 3ild h ILE 102 Cb 0.69 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 3ild h ILE 102 CO 0.05 0.09 -0.20 -0.33 0.00 0.00 0.00 178.15 177.76 3ild h GLU 103 N 0.48 -0.18 0.00 2.37 5.08 -1.46 -2.86 114.58 118.01 3ild h GLU 103 Ca 0.39 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 3ild h GLU 103 Cb 0.82 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3ild h GLU 103 CO -0.14 -0.12 -0.45 -0.91 -1.00 0.00 0.00 179.01 176.39 3ild h ASN 104 N -0.19 0.00 -1.72 1.42 4.21 -1.40 -3.44 115.58 114.47 3ild h ASN 104 Ca 0.14 0.00 -0.69 0.00 1.21 0.00 0.00 56.30 56.96 3ild h ASN 104 Cb 0.41 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.64 3ild h ASN 104 CO -0.37 0.45 0.82 -0.67 -1.29 0.00 0.00 177.43 176.37 3ild n ASP 105 N -3.76 2.45 -0.04 5.81 -0.08 -0.22 -4.87 116.55 115.84 3ild n ASP 105 Ca -0.01 1.07 -0.09 0.00 -1.51 0.00 0.00 54.79 54.24 3ild n ASP 105 Cb 0.51 -1.22 -0.08 0.00 2.34 0.00 0.00 41.12 42.67 3ild n ASP 105 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3ild h LEU 106 N 6.82 -0.03 -7.31 -2.67 3.38 -1.85 -3.38 115.31 110.28 3ild h LEU 106 Ca -0.47 -0.59 -0.69 0.00 0.09 0.00 0.00 57.88 56.21 3ild h LEU 106 Cb 1.31 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 3ild h LEU 106 CO 0.91 0.74 2.42 0.59 0.09 0.00 0.00 178.44 183.19 3ild n ASN 107 N -4.72 4.66 -3.66 -0.43 3.02 -1.26 -4.79 115.26 108.09 3ild n ASN 107 Ca -0.07 -2.91 -0.07 0.00 -0.03 0.00 0.00 54.58 51.51 3ild n ASN 107 Cb 0.30 -1.71 -0.08 0.00 -0.61 0.00 0.00 39.78 37.69 3ild n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ild n PRO 109 N 4.59 0.51 0.11 0.00 -0.02 -1.26 -4.48 135.00 134.45 3ild n PRO 109 Ca -0.18 0.19 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 3ild n PRO 109 Cb 0.56 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.21 3ild n PRO 109 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ild h TYR 110 N 5.12 -1.13 -0.67 6.00 3.20 -1.96 0.73 116.97 128.26 3ild h TYR 110 Ca -0.47 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.57 3ild h TYR 110 Cb 1.36 0.48 -0.13 0.00 1.54 0.00 0.00 36.73 39.98 3ild h TYR 110 CO 0.66 -0.50 -0.16 0.28 -1.64 0.00 0.00 178.16 176.80 3ild h VAL 111 N -0.64 0.33 0.65 1.81 2.07 -1.98 1.16 116.25 119.65 3ild h VAL 111 Ca 0.02 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3ild h VAL 111 Cb 0.66 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3ild h VAL 111 CO -0.24 0.00 -0.38 0.25 0.02 0.00 0.00 177.57 177.22 3ild h LEU 112 N 0.01 -0.95 -2.65 2.57 5.85 -1.53 0.10 115.31 118.70 3ild h LEU 112 Ca 0.33 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.10 3ild h LEU 112 Cb 0.50 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3ild h LEU 112 CO -0.69 -0.60 0.04 0.00 -0.34 0.00 0.00 178.44 176.85 3ild h ALA 113 N -0.68 1.31 0.14 1.25 0.00 0.32 0.12 119.26 121.71 3ild h ALA 113 Ca -0.08 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.49 3ild h ALA 113 Cb 0.78 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ild h ALA 113 CO 0.09 -0.05 -1.70 -0.22 0.00 0.00 0.00 179.25 177.37 3ild h LYS 114 N 0.00 0.30 -0.41 0.00 1.63 0.15 -3.29 116.57 114.95 3ild h LYS 114 Ca 0.01 -0.51 0.02 0.00 -0.85 0.00 0.00 60.65 59.32 3ild h LYS 114 Cb 0.10 0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 3ild h LYS 114 CO -0.00 1.17 0.24 0.35 -3.45 0.00 0.00 179.45 177.77 3ild h PHE 115 N 0.08 0.45 -0.57 1.91 3.57 0.19 0.12 116.94 122.69 3ild h PHE 115 Ca -0.31 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.30 3ild h PHE 115 Cb 2.05 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.62 3ild h PHE 115 CO 0.08 0.26 0.38 0.82 -2.23 0.00 0.00 178.31 177.62 3ild h ILE 116 N 0.49 0.89 -0.09 1.41 2.04 -1.58 -1.51 117.51 119.16 3ild h ILE 116 Ca 0.16 -0.13 -0.18 0.00 1.00 0.00 0.00 64.86 65.72 3ild h ILE 116 Cb 0.01 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3ild h ILE 116 CO -0.07 0.07 -0.70 -0.08 0.00 0.00 0.00 178.15 177.37 3ild h GLU 117 N 0.37 0.42 0.00 2.37 4.81 -0.90 -3.08 114.58 118.58 3ild h GLU 117 Ca 0.26 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ild h GLU 117 Cb 0.54 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3ild h GLU 117 CO -0.07 0.96 0.00 -1.33 -0.73 0.00 0.00 179.01 177.84 3ild n MET 118 N -3.86 0.60 -1.47 1.92 2.81 -0.38 -4.90 117.12 111.85 3ild n MET 118 Ca -0.04 0.03 -0.44 0.00 -1.81 0.00 0.00 57.70 55.44 3ild n MET 118 Cb 0.69 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.69 3ild n MET 118 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3ild n ARG 119 N -1.11 0.60 -2.08 0.03 1.85 -1.17 -4.35 116.66 110.44 3ild n ARG 119 Ca 0.16 0.21 -0.39 0.00 -1.00 0.00 0.00 57.85 56.83 3ild n ARG 119 Cb 0.12 -1.44 -0.01 0.00 -1.05 0.00 0.00 32.46 30.09 3ild n ARG 119 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3ild s PRO 120 N -1.40 3.97 0.85 2.89 0.04 -1.26 -4.80 135.00 135.30 3ild s PRO 120 Ca 0.62 2.12 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 3ild s PRO 120 Cb -0.71 -2.75 0.11 0.00 0.04 0.00 0.00 34.50 31.19 3ild s PRO 120 CO 0.58 -0.47 1.17 -1.21 0.04 0.00 0.00 177.00 177.11 3ild s GLU 121 N -2.25 1.42 -0.24 4.56 2.02 -1.26 -4.81 118.70 118.15 3ild s GLU 121 Ca 0.57 1.63 -0.37 0.00 0.02 0.00 0.00 54.97 56.83 3ild s GLU 121 Cb -0.37 -1.76 -0.13 0.00 0.10 0.00 0.00 34.13 31.96 3ild s GLU 121 CO 0.48 -2.35 1.92 0.34 0.02 0.00 0.00 175.26 175.67 3ild n PHE 122 N -3.69 2.02 -2.67 1.61 7.35 -1.26 -1.74 117.46 119.07 3ild n PHE 122 Ca 0.13 0.28 -0.12 0.00 -0.76 0.00 0.00 57.45 56.98 3ild n PHE 122 Cb 0.51 -2.55 0.02 0.00 0.35 0.00 0.00 39.48 37.81 3ild n PHE 122 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 3ild n HIS 123 N 7.13 -1.05 -3.78 -5.13 8.25 -0.79 -5.00 115.22 114.85 3ild n HIS 123 Ca 0.30 0.29 -0.06 0.00 -0.26 0.00 0.00 57.72 57.99 3ild n HIS 123 Cb 0.21 -2.85 -0.01 0.00 1.12 0.00 0.00 29.99 28.46 3ild n HIS 123 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ild n LYS 124 N -2.48 0.25 -4.14 -0.41 5.02 -0.71 -4.92 118.16 110.77 3ild n LYS 124 Ca -0.06 -1.05 -0.34 0.00 -2.02 0.00 0.00 58.31 54.85 3ild n LYS 124 Cb 0.56 1.00 -0.15 0.00 -0.02 0.00 0.00 35.03 36.42 3ild n LYS 124 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3ild s THR 125 N -2.57 2.77 0.24 -0.18 2.01 -1.26 -3.51 115.64 113.14 3ild s THR 125 Ca 0.11 -0.71 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 3ild s THR 125 Cb -0.00 -2.21 -0.16 0.00 0.01 0.00 0.00 72.50 70.14 3ild s THR 125 CO 0.08 0.49 0.77 0.00 -0.69 0.00 0.00 174.62 175.26 3ild n ALA 126 N 4.53 -1.55 -4.03 7.40 0.00 -1.26 -4.80 120.51 120.80 3ild n ALA 126 Ca -0.19 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 3ild n ALA 126 Cb 0.51 -1.82 -0.15 0.00 0.00 0.00 0.00 19.45 17.99 3ild n ALA 126 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3ild s TRP 127 N -1.02 3.15 0.06 0.00 -0.00 -1.26 -4.99 118.94 114.88 3ild s TRP 127 Ca 0.61 -2.10 -0.31 0.00 -0.00 0.00 0.00 56.10 54.31 3ild s TRP 127 Cb -0.82 -1.95 -0.06 0.00 -0.00 0.00 0.00 33.47 30.65 3ild s TRP 127 CO 0.58 -0.85 1.26 0.08 -0.00 0.00 0.00 176.95 178.02 3ild s VAL 128 N 1.17 3.86 0.29 5.86 1.01 -1.26 -5.03 120.40 126.30 3ild s VAL 128 Ca -0.05 1.32 0.06 0.00 0.00 0.00 0.00 61.98 63.31 3ild s VAL 128 Cb -0.18 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.33 3ild s VAL 128 CO -0.07 0.09 0.41 -1.61 0.00 0.00 0.00 175.10 173.92 3ild s GLU 129 N 1.24 3.23 -0.86 2.72 0.41 -1.26 -4.75 118.70 119.43 3ild s GLU 129 Ca 0.60 -0.92 -0.25 0.00 -0.41 0.00 0.00 54.97 54.00 3ild s GLU 129 Cb -0.31 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.21 3ild s GLU 129 CO 0.29 0.23 1.64 -1.83 -0.49 0.00 0.00 175.26 175.10 3ild s GLU 130 N -4.08 3.03 -0.24 1.61 -1.05 -1.26 -4.87 118.70 111.84 3ild s GLU 130 Ca 0.40 -0.41 -0.05 0.00 -0.15 0.00 0.00 54.97 54.76 3ild s GLU 130 Cb -0.09 -4.88 -0.01 0.00 -0.44 0.00 0.00 34.13 28.71 3ild s GLU 130 CO 0.30 -2.65 0.01 -1.12 0.95 0.00 0.00 175.26 172.75 3ild s SER 131 N 6.23 4.67 -0.34 0.83 0.01 -1.26 -4.95 113.70 118.89 3ild s SER 131 Ca 0.55 -0.44 0.08 0.00 1.31 0.00 0.00 55.95 57.45 3ild s SER 131 Cb -0.06 -1.81 0.66 0.00 0.21 0.00 0.00 66.02 65.03 3ild s SER 131 CO 0.03 -0.07 1.75 0.59 0.41 0.00 0.00 173.24 175.95 3ild n ASN 132 N 4.83 3.99 -4.74 2.44 3.02 -1.26 -4.88 115.26 118.66 3ild n ASN 132 Ca -0.17 -3.43 -0.33 0.00 -0.03 0.00 0.00 54.58 50.63 3ild n ASN 132 Cb 0.50 -0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 38.86 3ild n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ild s TYR 133 N -3.12 3.20 -0.02 3.10 5.04 -1.26 -5.11 117.35 119.18 3ild s TYR 133 Ca 0.53 0.16 0.01 0.00 -2.44 0.00 0.00 57.07 55.33 3ild s TYR 133 Cb 0.44 -1.71 0.01 0.00 0.35 0.00 0.00 41.96 41.05 3ild s TYR 133 CO 0.10 0.52 -0.04 0.45 -1.34 0.00 0.00 175.55 175.24 3ild s SER 134 N -1.68 0.62 0.74 4.32 0.15 -1.26 -4.82 113.70 111.77 3ild s SER 134 Ca 0.22 -0.09 -0.11 0.00 0.70 0.00 0.00 55.95 56.67 3ild s SER 134 Cb -0.12 -0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.06 3ild s SER 134 CO 0.13 0.01 1.08 0.27 1.20 0.00 0.00 173.24 175.93 3ild s ILE 135 N 0.28 3.58 0.09 6.45 -4.36 -1.26 -5.00 121.20 120.99 3ild s ILE 135 Ca -0.03 0.51 -0.14 0.00 -0.26 0.00 0.00 60.65 60.74 3ild s ILE 135 Cb -0.07 -3.29 -0.15 0.00 1.25 0.00 0.00 42.46 40.20 3ild s ILE 135 CO -0.00 -0.67 1.30 0.00 0.24 0.00 0.00 174.94 175.81 3ild h ALA 136 N -0.86 0.30 -2.29 2.27 0.00 -2.01 -3.47 119.26 113.20 3ild h ALA 136 Ca -0.45 -0.57 -0.49 0.00 0.00 0.00 0.00 54.91 53.40 3ild h ALA 136 Cb 1.24 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.06 3ild h ALA 136 CO 0.59 0.61 0.38 -1.21 0.00 0.00 0.00 179.25 179.62 3ild s GLU 137 N -3.79 3.54 0.72 0.00 2.02 -1.26 -5.08 118.70 114.85 3ild s GLU 137 Ca -0.11 1.02 -0.06 0.00 0.02 0.00 0.00 54.97 55.84 3ild s GLU 137 Cb 0.08 -2.07 0.08 0.00 0.10 0.00 0.00 34.13 32.32 3ild s GLU 137 CO 0.89 -0.62 1.03 0.16 0.02 0.00 0.00 175.26 176.74 3ild s ASP 138 N -3.20 4.61 0.16 -0.19 -4.77 -1.26 -4.85 116.67 107.17 3ild s ASP 138 Ca 0.60 0.30 -0.25 0.00 -3.30 0.00 0.00 52.55 49.90 3ild s ASP 138 Cb -0.13 -0.87 0.02 0.00 -1.09 0.00 0.00 42.92 40.85 3ild s ASP 138 CO 0.39 -1.71 1.59 -2.24 0.70 0.00 0.00 175.17 173.90 3ild h ASP 139 N -0.65 -1.23 -0.55 2.11 2.03 -1.98 -1.91 116.42 114.23 3ild h ASP 139 Ca -0.43 0.20 0.11 0.00 -0.73 0.00 0.00 57.03 56.18 3ild h ASP 139 Cb 1.30 0.55 -0.11 0.00 -0.83 0.00 0.00 39.33 40.25 3ild h ASP 139 CO 0.55 -0.35 -0.16 0.40 -1.03 0.00 0.00 179.24 178.64 3ild h ILE 140 N -0.31 0.41 -0.55 4.15 2.04 -1.99 0.23 117.51 121.49 3ild h ILE 140 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 3ild h ILE 140 Cb 0.57 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 3ild h ILE 140 CO -0.53 0.00 0.32 1.56 0.00 0.00 0.00 178.15 179.50 3ild h GLN 141 N -0.03 0.75 0.25 2.37 4.20 -1.88 -1.53 115.11 119.24 3ild h GLN 141 Ca 0.26 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3ild h GLN 141 Cb 0.43 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3ild h GLN 141 CO -0.58 0.54 -0.12 1.98 -0.67 0.00 0.00 178.83 179.98 3ild h MET 142 N 0.76 -0.33 -0.99 1.46 4.05 -0.47 -2.20 114.93 117.21 3ild h MET 142 Ca 0.20 0.02 0.22 0.00 -0.28 0.00 0.00 59.70 59.86 3ild h MET 142 Cb -0.01 0.07 -0.09 0.00 -0.80 0.00 0.00 31.60 30.77 3ild h MET 142 CO -0.04 -0.10 0.62 0.28 0.23 0.00 0.00 176.91 177.90 3ild h VAL 143 N -1.04 0.64 0.17 -5.77 2.07 -0.54 0.94 116.25 112.71 3ild h VAL 143 Ca -0.03 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3ild h VAL 143 Cb 0.37 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3ild h VAL 143 CO 0.06 0.10 -0.08 -0.33 0.02 0.00 0.00 177.57 177.34 3ild h GLU 144 N 0.57 -0.22 0.00 1.57 4.39 -1.25 -2.44 114.58 117.19 3ild h GLU 144 Ca 0.56 0.02 -0.08 0.00 0.34 0.00 0.00 59.36 60.19 3ild h GLU 144 Cb 1.15 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 3ild h GLU 144 CO -0.31 0.01 -0.39 0.66 -1.16 0.00 0.00 179.01 177.81 3ild h SER 145 N -0.42 0.00 0.06 1.42 4.64 -0.40 1.13 113.55 119.97 3ild h SER 145 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3ild h SER 145 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3ild h SER 145 CO 0.04 0.39 -0.03 0.40 -0.87 0.00 0.00 176.83 176.77 3ild h ILE 146 N 0.00 0.62 0.06 0.95 2.04 -0.82 -1.16 117.51 119.20 3ild h ILE 146 Ca -0.00 -0.11 -0.35 0.00 1.00 0.00 0.00 64.86 65.39 3ild h ILE 146 Cb 0.72 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3ild h ILE 146 CO 0.05 0.03 -2.01 0.29 0.00 0.00 0.00 178.15 176.51 3ild n LYS 147 N -3.92 0.68 -0.29 2.37 5.02 0.66 -3.38 118.16 119.30 3ild n LYS 147 Ca -0.03 0.30 0.05 0.00 -2.02 0.00 0.00 58.31 56.62 3ild n LYS 147 Cb 0.11 -1.65 0.15 0.00 -0.02 0.00 0.00 35.03 33.62 3ild n LYS 147 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3ild h ARG 148 N -0.29 0.04 0.52 1.97 2.43 0.12 -1.98 114.38 117.19 3ild h ARG 148 Ca -0.47 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 3ild h ARG 148 Cb 1.81 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 31.35 3ild h ARG 148 CO -0.07 0.02 -0.25 -0.92 -1.51 0.00 0.00 179.97 177.24 3ild h TYR 149 N 0.04 -0.65 -0.75 2.20 3.20 -1.38 -3.17 116.97 116.46 3ild h TYR 149 Ca 0.43 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.43 3ild h TYR 149 Cb 0.74 0.21 -0.10 0.00 1.54 0.00 0.00 36.73 39.13 3ild h TYR 149 CO -0.55 -0.35 0.29 -0.07 -1.64 0.00 0.00 178.16 175.84 3ild h LEU 150 N -1.12 0.26 -0.47 2.82 3.38 -1.53 0.57 115.31 119.22 3ild h LEU 150 Ca -0.07 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3ild h LEU 150 Cb 0.59 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.33 3ild h LEU 150 CO 0.12 0.09 -0.27 -0.33 0.09 0.00 0.00 178.44 178.14 3ild h GLU 151 N 0.43 -0.16 -0.50 1.13 4.39 -1.46 -0.40 114.58 118.01 3ild h GLU 151 Ca 0.42 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 60.04 3ild h GLU 151 Cb 0.64 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 3ild h GLU 151 CO -0.41 -0.11 -0.03 0.00 -1.16 0.00 0.00 179.01 177.30 3ild h ARG 152 N -0.17 0.91 0.00 2.33 3.08 -0.82 -2.85 114.38 116.87 3ild h ARG 152 Ca 0.21 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3ild h ARG 152 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3ild h ARG 152 CO -0.57 0.95 0.00 1.17 -1.07 0.00 0.00 179.97 180.45 3ild n LYS 153 N -4.28 0.61 0.00 0.04 3.00 0.17 -5.12 118.16 112.59 3ild n LYS 153 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 3ild n LYS 153 Cb 0.34 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 33.94 3ild n LYS 153 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51