#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k94 h VAL 54 N 0.00 0.90 -0.12 2.46 3.04 -1.96 -1.33 116.25 119.23 1k94 h VAL 54 Ca 0.00 -0.48 -0.12 0.00 -1.01 0.00 0.00 66.70 65.09 1k94 h VAL 54 Cb 0.00 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1k94 h VAL 54 CO 0.00 0.13 -0.45 1.88 -1.01 0.00 0.00 177.57 178.12 1k94 h TYR 55 N 0.00 0.34 -0.45 3.17 0.99 -1.99 -0.39 116.97 118.64 1k94 h TYR 55 Ca -0.00 -0.10 -0.11 0.00 2.00 0.00 0.00 58.73 60.51 1k94 h TYR 55 Cb 0.26 -0.07 -0.01 0.00 1.00 0.00 0.00 36.73 37.91 1k94 h TYR 55 CO 0.00 0.69 -0.16 1.15 -0.00 0.00 0.00 178.16 179.84 1k94 h THR 56 N 0.24 1.27 -0.47 -2.88 2.02 -1.70 -1.89 112.91 109.50 1k94 h THR 56 Ca 0.02 -1.30 -0.07 0.00 0.77 0.00 0.00 66.41 65.82 1k94 h THR 56 Cb 0.89 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 1k94 h THR 56 CO 0.07 0.44 0.00 1.88 0.37 0.00 0.00 175.52 178.29 1k94 h TYR 57 N 0.75 0.81 -0.13 3.16 0.99 -1.05 -0.98 116.97 120.52 1k94 h TYR 57 Ca 0.11 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1k94 h TYR 57 Cb 0.72 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 38.21 1k94 h TYR 57 CO 0.05 0.75 0.05 0.35 -0.00 0.00 0.00 178.16 179.37 1k94 h PHE 58 N 0.72 0.10 -0.83 4.88 3.57 -0.78 -1.41 116.94 123.19 1k94 h PHE 58 Ca 0.14 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1k94 h PHE 58 Cb 0.44 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1k94 h PHE 58 CO 0.02 0.05 0.49 1.03 -2.23 0.00 0.00 178.31 177.68 1k94 h SER 59 N 0.12 1.00 0.37 0.41 0.87 -0.97 0.70 113.55 116.05 1k94 h SER 59 Ca 0.05 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1k94 h SER 59 Cb 0.02 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1k94 h SER 59 CO -0.05 0.77 -0.40 0.00 -0.53 0.00 0.00 176.83 176.63 1k94 h ALA 60 N 1.40 1.29 0.00 6.23 0.00 -0.64 -3.16 119.26 124.37 1k94 h ALA 60 Ca 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k94 h ALA 60 Cb -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1k94 h ALA 60 CO -0.05 0.52 -1.16 1.33 0.00 0.00 0.00 179.25 179.88 1k94 n VAL 61 N -4.05 0.00 -0.26 0.00 0.24 -0.58 -4.55 118.33 109.13 1k94 n VAL 61 Ca -0.02 -0.11 0.10 0.00 -2.04 0.00 0.00 64.34 62.27 1k94 n VAL 61 Cb 0.44 0.80 0.35 0.00 -1.47 0.00 0.00 33.84 33.97 1k94 n VAL 61 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k94 h ALA 62 N 2.69 1.76 0.00 2.33 0.00 -0.83 -3.46 119.26 121.76 1k94 h ALA 62 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k94 h ALA 62 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1k94 h ALA 62 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1k94 n GLY 63 N -1.43 -2.13 0.30 0.00 0.00 -1.26 -3.83 105.19 96.84 1k94 n GLY 63 Ca 0.16 -1.46 0.17 0.00 0.00 0.00 0.00 46.02 44.89 1k94 n GLY 63 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1k94 h GLN 64 N 0.00 0.00 -0.26 1.61 1.08 -1.93 -2.63 115.11 112.98 1k94 h GLN 64 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1k94 h GLN 64 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1k94 h GLN 64 CO 0.00 0.01 0.00 -0.40 -0.95 0.00 0.00 178.83 177.49 1k94 n ASP 65 N -3.63 2.69 -0.92 1.46 5.75 -1.26 -4.95 116.55 115.69 1k94 n ASP 65 Ca -0.03 -1.88 -0.12 0.00 -0.01 0.00 0.00 54.79 52.76 1k94 n ASP 65 Cb 0.09 -0.16 -0.05 0.00 -1.03 0.00 0.00 41.12 39.97 1k94 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k94 n GLY 66 N 1.34 1.17 3.18 6.12 0.00 -0.99 -4.96 105.19 111.05 1k94 n GLY 66 Ca 0.18 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 1k94 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k94 s GLU 67 N -2.96 0.86 -0.04 1.61 2.02 -1.25 -4.63 118.70 114.32 1k94 s GLU 67 Ca 0.00 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.67 1k94 s GLU 67 Cb 0.00 -0.29 -0.03 0.00 0.10 0.00 0.00 34.13 33.91 1k94 s GLU 67 CO 0.00 0.00 -0.06 0.14 0.02 0.00 0.00 175.26 175.37 1k94 s VAL 68 N -3.46 3.78 0.36 2.63 -7.23 -0.81 -4.65 120.40 111.01 1k94 s VAL 68 Ca 0.12 -0.56 0.06 0.00 -1.81 0.00 0.00 61.98 59.79 1k94 s VAL 68 Cb 0.04 -2.59 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1k94 s VAL 68 CO -0.04 0.52 0.50 -0.90 -0.31 0.00 0.00 175.10 174.87 1k94 n ASP 69 N 1.95 1.30 -0.17 4.85 3.85 -1.26 -0.70 116.55 126.36 1k94 n ASP 69 Ca -0.17 -1.95 -0.02 0.00 -0.71 0.00 0.00 54.79 51.94 1k94 n ASP 69 Cb 0.53 -0.27 0.08 0.00 -1.35 0.00 0.00 41.12 40.11 1k94 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1k94 h ALA 70 N 0.25 0.66 -0.59 2.12 0.00 -1.86 -0.16 119.26 119.68 1k94 h ALA 70 Ca -0.17 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1k94 h ALA 70 Cb 0.77 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1k94 h ALA 70 CO 0.24 -0.22 0.17 1.49 0.00 0.00 0.00 179.25 180.92 1k94 h GLU 71 N 0.35 0.93 -0.43 0.00 4.22 -1.95 -0.87 114.58 116.84 1k94 h GLU 71 Ca 0.26 -0.21 -0.12 0.00 0.08 0.00 0.00 59.36 59.38 1k94 h GLU 71 Cb 0.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1k94 h GLU 71 CO -0.28 0.84 -0.18 0.93 -2.18 0.00 0.00 179.01 178.14 1k94 h GLU 72 N 0.84 0.88 -0.82 1.92 5.08 -1.81 -2.50 114.58 118.17 1k94 h GLU 72 Ca 0.19 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1k94 h GLU 72 Cb 0.31 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1k94 h GLU 72 CO -0.00 1.02 0.48 1.25 -1.00 0.00 0.00 179.01 180.75 1k94 h LEU 73 N 0.70 0.99 -0.80 1.33 5.85 -0.84 -1.03 115.31 121.51 1k94 h LEU 73 Ca 0.10 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1k94 h LEU 73 Cb 0.74 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1k94 h LEU 73 CO 0.06 0.78 0.53 -0.61 -0.34 0.00 0.00 178.44 178.85 1k94 h GLN 74 N 1.12 1.05 -0.43 1.25 4.15 -0.98 -0.14 115.11 121.14 1k94 h GLN 74 Ca 0.29 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.61 1k94 h GLN 74 Cb -0.02 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 1k94 h GLN 74 CO -0.05 0.70 0.11 0.00 -1.93 0.00 0.00 178.83 177.65 1k94 h ARG 75 N 1.08 0.69 0.07 1.69 3.08 -0.95 -1.60 114.38 118.44 1k94 h ARG 75 Ca 0.29 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1k94 h ARG 75 Cb -0.12 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1k94 h ARG 75 CO -0.06 0.69 -0.03 0.00 -1.07 0.00 0.00 179.97 179.50 1k94 h LEU 77 N -0.19 0.69 -0.80 0.00 3.38 -1.01 -1.32 115.31 116.06 1k94 h LEU 77 Ca -0.01 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1k94 h LEU 77 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1k94 h LEU 77 CO 0.02 0.67 -0.29 0.74 0.09 0.00 0.00 178.44 179.67 1k94 h THR 78 N 0.73 1.28 0.00 0.22 2.02 -1.19 -2.63 112.91 113.34 1k94 h THR 78 Ca 0.17 -1.38 -0.07 0.00 0.77 0.00 0.00 66.41 65.89 1k94 h THR 78 Cb 0.24 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1k94 h THR 78 CO -0.01 0.44 -0.36 1.56 0.37 0.00 0.00 175.52 177.53 1k94 h GLN 79 N 0.49 0.00 0.00 6.66 4.20 -0.98 -3.12 115.11 122.37 1k94 h GLN 79 Ca 0.06 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 1k94 h GLN 79 Cb 0.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1k94 h GLN 79 CO 0.06 0.36 -0.29 0.66 -0.67 0.00 0.00 178.83 178.95 1k94 h SER 80 N 0.00 0.00 0.00 1.46 4.64 -0.87 -3.47 113.55 115.31 1k94 h SER 80 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k94 h SER 80 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1k94 h SER 80 CO 0.05 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 1k94 n GLY 81 N -0.12 0.60 0.35 -0.77 0.00 -1.18 -4.91 105.19 99.15 1k94 n GLY 81 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.18 1k94 n GLY 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k94 h ILE 82 N 0.00 0.70 -0.00 -0.61 6.09 -1.86 0.10 117.51 121.93 1k94 h ILE 82 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1k94 h ILE 82 Cb 0.00 0.81 0.00 0.00 0.47 0.00 0.00 36.82 38.10 1k94 h ILE 82 CO 0.00 0.00 -0.04 -0.46 -3.07 0.00 0.00 178.15 174.58 1k94 n ASN 83 N -4.22 0.23 0.00 2.19 6.94 -1.26 -4.98 115.26 114.16 1k94 n ASN 83 Ca 0.05 -0.58 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 1k94 n ASN 83 Cb 0.44 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1k94 n ASN 83 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k94 n GLY 84 N 1.20 3.26 0.39 4.83 0.00 0.36 -0.04 105.19 115.18 1k94 n GLY 84 Ca 0.17 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.45 1k94 n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k94 n THR 85 N 0.00 0.00 -1.78 2.61 -2.24 -1.26 -4.88 114.28 106.73 1k94 n THR 85 Ca 0.00 -0.20 -0.30 0.00 -2.27 0.00 0.00 64.05 61.28 1k94 n THR 85 Cb 0.00 0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.69 1k94 n THR 85 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1k94 s TYR 86 N -2.16 3.26 0.56 4.78 4.12 0.94 -5.02 117.35 123.83 1k94 s TYR 86 Ca 0.34 1.15 -0.19 0.00 0.02 0.00 0.00 57.07 58.39 1k94 s TYR 86 Cb 0.21 -3.00 -0.05 0.00 -1.52 0.00 0.00 41.96 37.59 1k94 s TYR 86 CO 0.39 -1.22 1.14 -1.12 0.02 0.00 0.00 175.55 174.76 1k94 s SER 87 N -4.18 5.61 1.05 2.29 0.01 -1.26 -4.86 113.70 112.36 1k94 s SER 87 Ca 0.58 2.18 -0.11 0.00 1.31 0.00 0.00 55.95 59.91 1k94 s SER 87 Cb -0.12 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.75 1k94 s SER 87 CO 0.53 -1.29 1.08 -2.84 0.41 0.00 0.00 173.24 171.13 1k94 s PRO 88 N -3.36 -0.02 0.45 12.44 0.02 -1.26 -4.72 135.00 138.54 1k94 s PRO 88 Ca 0.73 1.18 -0.23 0.00 0.02 0.00 0.00 61.00 62.70 1k94 s PRO 88 Cb -0.24 -1.63 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 1k94 s PRO 88 CO 0.29 -3.22 1.11 -0.06 -0.33 0.00 0.00 177.00 174.79 1k94 s PHE 89 N -2.55 3.00 0.75 6.54 0.08 -1.26 -4.86 117.98 119.67 1k94 s PHE 89 Ca 0.68 1.58 -0.12 0.00 0.12 0.00 0.00 56.93 59.19 1k94 s PHE 89 Cb -0.24 -3.26 0.04 0.00 -0.57 0.00 0.00 43.02 38.99 1k94 s PHE 89 CO 0.62 -1.15 1.12 -1.54 -0.10 0.00 0.00 175.22 174.16 1k94 s SER 90 N -1.53 5.07 0.28 1.36 1.04 -1.26 -4.92 113.70 113.74 1k94 s SER 90 Ca 0.63 1.07 -0.02 0.00 0.48 0.00 0.00 55.95 58.12 1k94 s SER 90 Cb -0.25 -1.79 0.38 0.00 0.10 0.00 0.00 66.02 64.47 1k94 s SER 90 CO 0.30 -1.58 1.83 0.25 0.98 0.00 0.00 173.24 175.02 1k94 h LEU 91 N -0.82 0.80 -0.61 2.42 5.85 -1.95 -2.23 115.31 118.77 1k94 h LEU 91 Ca -0.46 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.07 1k94 h LEU 91 Cb 1.27 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1k94 h LEU 91 CO 0.64 0.77 0.14 -0.08 -0.34 0.00 0.00 178.44 179.57 1k94 h GLU 92 N 0.84 0.97 -0.47 1.25 4.57 -1.97 -0.26 114.58 119.50 1k94 h GLU 92 Ca 0.19 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 1k94 h GLU 92 Cb 0.28 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1k94 h GLU 92 CO -0.00 0.89 -0.07 1.15 -1.18 0.00 0.00 179.01 179.80 1k94 h THR 93 N 0.88 1.26 -0.15 0.32 2.02 -1.86 -1.79 112.91 113.59 1k94 h THR 93 Ca 0.19 -1.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 1k94 h THR 93 Cb 0.36 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1k94 h THR 93 CO 0.00 0.39 -0.45 0.00 0.37 0.00 0.00 175.52 175.83 1k94 h ARG 95 N 0.29 0.91 -0.09 0.00 2.43 -0.62 -2.02 114.38 115.28 1k94 h ARG 95 Ca 0.02 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.85 1k94 h ARG 95 Cb 0.91 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1k94 h ARG 95 CO 0.08 0.83 -0.52 0.97 -1.51 0.00 0.00 179.97 179.81 1k94 h ILE 96 N 0.82 1.35 -0.63 1.20 2.10 -1.17 -1.61 117.51 119.58 1k94 h ILE 96 Ca 0.18 -1.79 0.03 0.00 1.08 0.00 0.00 64.86 64.36 1k94 h ILE 96 Cb 0.32 1.87 -0.04 0.00 -1.09 0.00 0.00 36.82 37.87 1k94 h ILE 96 CO -0.00 0.53 0.39 0.24 -1.08 0.00 0.00 178.15 178.23 1k94 h MET 97 N 0.19 0.75 -0.45 2.19 2.86 -0.91 -0.13 114.93 119.44 1k94 h MET 97 Ca 0.00 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1k94 h MET 97 Cb 0.99 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1k94 h MET 97 CO 0.08 0.50 0.08 0.82 1.06 0.00 0.00 176.91 179.45 1k94 h ILE 98 N 0.78 1.24 -0.41 -1.22 2.04 -1.07 -2.79 117.51 116.08 1k94 h ILE 98 Ca 0.25 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1k94 h ILE 98 Cb 0.01 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1k94 h ILE 98 CO -0.10 0.30 0.27 0.00 0.00 0.00 0.00 178.15 178.62 1k94 h ALA 99 N 0.95 1.73 -0.22 1.87 0.00 -0.67 0.23 119.26 123.15 1k94 h ALA 99 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1k94 h ALA 99 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1k94 h ALA 99 CO 0.01 0.24 0.11 1.98 0.00 0.00 0.00 179.25 181.59 1k94 h MET 100 N 0.53 0.30 -0.07 0.00 1.85 -0.75 -3.06 114.93 113.74 1k94 h MET 100 Ca 0.15 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1k94 h MET 100 Cb -0.03 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 31.93 1k94 h MET 100 CO -0.03 0.24 0.00 1.28 -0.40 0.00 0.00 176.91 177.99 1k94 n LEU 101 N -4.46 2.19 -3.47 3.39 4.77 -0.81 -4.87 117.00 113.74 1k94 n LEU 101 Ca 0.00 -2.03 -0.38 0.00 -0.03 0.00 0.00 56.01 53.58 1k94 n LEU 101 Cb 0.11 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1k94 n LEU 101 CO 0.35 0.55 2.79 -0.67 -1.33 0.00 0.00 177.39 179.08 1k94 n ASP 102 N -0.33 5.53 -0.22 -1.43 2.03 0.01 -4.69 116.55 117.44 1k94 n ASP 102 Ca 0.03 -2.63 0.07 0.00 0.52 0.00 0.00 54.79 52.77 1k94 n ASP 102 Cb 0.29 -1.44 0.33 0.00 -0.72 0.00 0.00 41.12 39.59 1k94 n ASP 102 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1k94 h ARG 103 N 6.01 0.78 -0.07 -0.67 3.08 -1.88 -1.41 114.38 120.22 1k94 h ARG 103 Ca 0.64 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.64 1k94 h ARG 103 Cb 0.43 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1k94 h ARG 103 CO 1.79 0.52 0.00 -0.25 -1.07 0.00 0.00 179.97 180.95 1k94 n ASP 104 N -4.49 1.57 -3.58 7.04 8.00 -1.26 -4.96 116.55 118.87 1k94 n ASP 104 Ca 0.12 -1.57 -0.22 0.00 0.71 0.00 0.00 54.79 53.82 1k94 n ASP 104 Cb 0.25 -0.04 0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1k94 n ASP 104 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1k94 n HIS 105 N 0.23 -2.05 0.37 1.24 8.25 -0.53 -4.91 115.22 117.82 1k94 n HIS 105 Ca 0.18 0.74 0.04 0.00 -0.26 0.00 0.00 57.72 58.42 1k94 n HIS 105 Cb 0.35 -4.10 -0.04 0.00 1.12 0.00 0.00 29.99 27.32 1k94 n HIS 105 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1k94 n THR 106 N -4.00 0.00 -1.01 1.59 -2.24 -1.26 -4.99 114.28 102.37 1k94 n THR 106 Ca -0.19 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1k94 n THR 106 Cb 0.64 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.88 1k94 n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k94 n GLY 107 N 1.13 0.46 3.30 3.38 0.00 -1.26 -5.01 105.19 107.19 1k94 n GLY 107 Ca 0.02 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 1k94 n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k94 s LYS 108 N -0.53 1.25 -0.10 1.61 1.02 -1.26 -4.52 119.74 117.20 1k94 s LYS 108 Ca 0.00 -1.61 0.02 0.00 0.02 0.00 0.00 55.97 54.40 1k94 s LYS 108 Cb 0.00 -0.59 0.01 0.00 -0.52 0.00 0.00 37.83 36.73 1k94 s LYS 108 CO 0.00 -0.05 -0.16 1.41 -0.92 0.00 0.00 175.35 175.63 1k94 s MET 109 N -3.84 2.25 0.71 1.68 -2.45 0.12 -4.78 119.30 112.99 1k94 s MET 109 Ca 0.25 -0.58 -0.11 0.00 -1.25 0.00 0.00 55.69 54.00 1k94 s MET 109 Cb 0.05 -1.87 0.03 0.00 1.25 0.00 0.00 34.83 34.28 1k94 s MET 109 CO 0.06 -0.02 1.08 0.20 1.05 0.00 0.00 175.02 177.39 1k94 s GLY 110 N 0.86 1.62 0.21 2.11 0.00 -1.26 -1.92 107.32 108.94 1k94 s GLY 110 Ca -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 44.72 44.07 1k94 s GLY 110 CO 0.00 -0.08 1.83 -2.75 0.00 0.00 0.00 173.10 172.10 1k94 h PHE 111 N -0.66 0.79 -0.60 1.90 3.57 -1.99 0.03 116.94 119.99 1k94 h PHE 111 Ca -0.45 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.02 1k94 h PHE 111 Cb 1.27 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1k94 h PHE 111 CO 0.46 0.42 0.16 -0.91 -2.23 0.00 0.00 178.31 176.21 1k94 h ASN 112 N 0.81 0.86 -0.31 0.41 2.35 -1.99 -0.77 115.58 116.93 1k94 h ASN 112 Ca 0.30 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1k94 h ASN 112 Cb 0.10 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1k94 h ASN 112 CO -0.14 0.82 -0.23 0.00 -1.65 0.00 0.00 177.43 176.23 1k94 h ALA 113 N 1.29 0.85 -0.26 -0.83 0.00 -1.80 -2.68 119.26 115.82 1k94 h ALA 113 Ca 0.20 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1k94 h ALA 113 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1k94 h ALA 113 CO -0.00 0.64 -0.03 0.35 0.00 0.00 0.00 179.25 180.20 1k94 h PHE 114 N 0.70 0.41 -0.46 0.00 3.57 -0.17 -1.07 116.94 119.91 1k94 h PHE 114 Ca 0.09 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 1k94 h PHE 114 Cb 0.75 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1k94 h PHE 114 CO 0.04 0.44 0.05 0.87 -2.23 0.00 0.00 178.31 177.48 1k94 h LYS 115 N 0.39 0.73 -0.37 1.11 1.57 -0.83 0.13 116.57 119.30 1k94 h LYS 115 Ca 0.08 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1k94 h LYS 115 Cb 0.31 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1k94 h LYS 115 CO 0.01 0.71 -0.17 1.49 -0.57 0.00 0.00 179.45 180.93 1k94 h GLU 116 N 0.69 0.77 -0.29 3.15 4.57 -1.19 -1.93 114.58 120.35 1k94 h GLU 116 Ca 0.15 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1k94 h GLU 116 Cb 0.36 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1k94 h GLU 116 CO 0.01 0.95 0.13 1.25 -1.18 0.00 0.00 179.01 180.17 1k94 h LEU 117 N 0.56 0.39 -0.72 1.64 5.85 -0.73 -1.49 115.31 120.80 1k94 h LEU 117 Ca 0.08 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1k94 h LEU 117 Cb 0.71 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1k94 h LEU 117 CO 0.05 0.41 0.45 -0.25 -0.34 0.00 0.00 178.44 178.76 1k94 h TRP 118 N 0.33 0.83 -0.36 1.25 2.91 -0.69 0.26 115.95 120.47 1k94 h TRP 118 Ca 0.10 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.14 1k94 h TRP 118 Cb 0.13 -0.27 -0.02 0.00 -0.51 0.00 0.00 29.16 28.50 1k94 h TRP 118 CO -0.02 0.46 0.20 0.00 -1.03 0.00 0.00 178.44 178.05 1k94 h ALA 119 N 1.32 0.47 -0.46 2.65 0.00 -1.11 -1.84 119.26 120.30 1k94 h ALA 119 Ca 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1k94 h ALA 119 Cb 0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1k94 h ALA 119 CO -0.13 -0.01 0.17 0.00 0.00 0.00 0.00 179.25 179.29 1k94 h ALA 120 N 1.06 0.60 -1.01 0.00 0.00 -0.51 -2.37 119.26 117.03 1k94 h ALA 120 Ca 0.13 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1k94 h ALA 120 Cb 0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1k94 h ALA 120 CO -0.02 0.22 0.67 -0.07 0.00 0.00 0.00 179.25 180.04 1k94 h LEU 121 N 0.60 1.16 -0.69 0.00 3.38 -0.32 0.07 115.31 119.50 1k94 h LEU 121 Ca 0.15 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1k94 h LEU 121 Cb 0.22 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1k94 h LEU 121 CO -0.01 0.84 -0.37 0.78 0.09 0.00 0.00 178.44 179.77 1k94 h ASN 122 N 1.36 0.63 -0.38 -0.43 4.21 -1.16 0.73 115.58 120.54 1k94 h ASN 122 Ca 0.37 -0.27 -0.09 0.00 1.21 0.00 0.00 56.30 57.52 1k94 h ASN 122 Cb -0.16 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 36.86 1k94 h ASN 122 CO -0.08 0.94 -0.11 0.00 -1.29 0.00 0.00 177.43 176.89 1k94 h ALA 123 N 1.10 0.53 -0.37 -0.83 0.00 -0.90 -1.45 119.26 117.33 1k94 h ALA 123 Ca 0.05 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1k94 h ALA 123 Cb 0.87 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1k94 h ALA 123 CO 0.07 0.41 -0.10 -1.49 0.00 0.00 0.00 179.25 178.14 1k94 h TRP 124 N 0.56 0.69 -0.46 0.00 6.55 -0.82 -1.40 115.95 121.08 1k94 h TRP 124 Ca 0.09 -0.11 -0.07 0.00 0.95 0.00 0.00 58.89 59.76 1k94 h TRP 124 Cb 0.64 -0.18 -0.02 0.00 -0.86 0.00 0.00 29.16 28.74 1k94 h TRP 124 CO 0.05 0.72 0.02 -0.22 -1.05 0.00 0.00 178.44 177.97 1k94 h LYS 125 N 0.59 0.79 -0.65 0.49 3.64 -0.65 -0.96 116.57 119.81 1k94 h LYS 125 Ca 0.11 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1k94 h LYS 125 Cb 0.52 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1k94 h LYS 125 CO 0.03 0.84 0.33 1.49 -2.27 0.00 0.00 179.45 179.87 1k94 h GLU 126 N 0.65 0.93 -0.87 1.90 4.81 -0.94 -1.68 114.58 119.38 1k94 h GLU 126 Ca 0.13 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1k94 h GLU 126 Cb 0.46 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 1k94 h GLU 126 CO 0.02 0.73 0.57 -0.91 -0.73 0.00 0.00 179.01 178.68 1k94 h ASN 127 N 0.90 0.95 -0.02 1.04 2.35 -1.02 0.61 115.58 120.40 1k94 h ASN 127 Ca 0.23 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1k94 h ASN 127 Cb 0.09 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1k94 h ASN 127 CO -0.03 0.67 -0.04 0.15 -1.65 0.00 0.00 177.43 176.53 1k94 h PHE 128 N 1.12 -0.09 -0.13 1.19 3.57 -0.62 -0.40 116.94 121.58 1k94 h PHE 128 Ca 0.34 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.78 1k94 h PHE 128 Cb -0.04 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1k94 h PHE 128 CO -0.02 -0.06 -0.23 0.52 -2.23 0.00 0.00 178.31 176.30 1k94 h MET 129 N -0.06 0.22 -0.18 1.11 2.86 -0.90 -0.51 114.93 117.47 1k94 h MET 129 Ca 0.02 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 1k94 h MET 129 Cb 0.09 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1k94 h MET 129 CO -0.05 0.44 -0.07 1.15 1.06 0.00 0.00 176.91 179.44 1k94 h THR 130 N 0.20 1.30 0.00 2.22 2.02 -0.38 -3.27 112.91 115.00 1k94 h THR 130 Ca 0.03 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 1k94 h THR 130 Cb 0.52 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1k94 h THR 130 CO 0.04 0.33 -0.23 -0.37 0.37 0.00 0.00 175.52 175.65 1k94 h VAL 131 N 0.06 0.18 0.00 3.16 -1.51 -0.95 -3.39 116.25 113.80 1k94 h VAL 131 Ca 0.04 -1.26 -0.66 0.00 -1.23 0.00 0.00 66.70 63.59 1k94 h VAL 131 Cb 0.54 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1k94 h VAL 131 CO 0.02 0.10 2.82 -0.67 -1.23 0.00 0.00 177.57 178.62 1k94 n ASP 132 N -3.08 3.72 0.18 4.19 4.64 -0.21 -4.72 116.55 121.27 1k94 n ASP 132 Ca 0.03 -2.73 0.11 0.00 -1.38 0.00 0.00 54.79 50.82 1k94 n ASP 132 Cb 0.58 -1.40 0.65 0.00 -1.04 0.00 0.00 41.12 39.91 1k94 n ASP 132 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 1k94 h GLN 133 N 6.70 0.01 -0.35 -0.67 7.50 -1.83 -1.64 115.11 124.83 1k94 h GLN 133 Ca 0.53 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.68 1k94 h GLN 133 Cb 0.60 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.13 1k94 h GLN 133 CO 1.89 0.01 0.00 -0.40 -1.50 0.00 0.00 178.83 178.82 1k94 n ASP 134 N -4.49 2.78 -3.18 1.46 5.75 -1.26 -4.94 116.55 112.66 1k94 n ASP 134 Ca 0.01 -1.91 -0.22 0.00 -0.01 0.00 0.00 54.79 52.66 1k94 n ASP 134 Cb 0.24 -0.23 0.01 0.00 -1.03 0.00 0.00 41.12 40.11 1k94 n ASP 134 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k94 n GLY 135 N 1.36 -0.50 0.06 6.12 0.00 -0.62 -4.85 105.19 106.75 1k94 n GLY 135 Ca 0.18 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.44 1k94 n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k94 n SER 136 N -2.37 0.41 -0.06 1.61 3.41 -1.26 -4.88 113.62 110.47 1k94 n SER 136 Ca -0.06 0.54 -0.01 0.00 -0.26 0.00 0.00 58.87 59.08 1k94 n SER 136 Cb 0.58 -0.65 -0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1k94 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k94 n GLY 137 N 1.24 0.46 3.02 5.00 0.00 -1.26 -4.99 105.19 108.65 1k94 n GLY 137 Ca 0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1k94 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k94 s THR 138 N -1.87 0.27 -0.27 2.61 -4.23 -1.26 -4.25 115.64 106.63 1k94 s THR 138 Ca 0.00 -1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 59.40 1k94 s THR 138 Cb 0.00 -0.47 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 1k94 s THR 138 CO 0.00 -0.50 0.07 0.54 -0.54 0.00 0.00 174.62 174.19 1k94 s VAL 139 N -1.62 4.10 0.64 2.29 0.11 -0.02 -4.87 120.40 121.03 1k94 s VAL 139 Ca -0.12 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.44 1k94 s VAL 139 Cb -0.09 -3.02 0.05 0.00 -1.53 0.00 0.00 36.38 31.79 1k94 s VAL 139 CO -0.01 0.21 0.92 -1.61 -3.33 0.00 0.00 175.10 171.27 1k94 s GLU 140 N 1.55 2.38 0.22 1.54 8.01 -1.26 -3.71 118.70 127.44 1k94 s GLU 140 Ca 0.05 -0.43 -0.18 0.00 0.01 0.00 0.00 54.97 54.41 1k94 s GLU 140 Cb -0.16 -2.30 0.21 0.00 -4.31 0.00 0.00 34.13 27.58 1k94 s GLU 140 CO 0.03 -1.00 1.56 1.25 0.01 0.00 0.00 175.26 177.10 1k94 h HIS 141 N -0.32 -1.11 0.00 1.61 -0.00 -1.98 0.32 115.15 113.67 1k94 h HIS 141 Ca -0.44 0.10 -0.09 0.00 -0.00 0.00 0.00 60.37 59.95 1k94 h HIS 141 Cb 1.30 0.62 -0.01 0.00 -0.00 0.00 0.00 27.41 29.33 1k94 h HIS 141 CO 0.36 -0.40 -0.42 1.12 -0.00 0.00 0.00 177.93 178.59 1k94 h HIS 142 N -0.02 0.00 -0.06 5.26 2.07 -1.99 -0.81 115.15 119.60 1k94 h HIS 142 Ca 0.33 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.68 1k94 h HIS 142 Cb 0.59 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.58 1k94 h HIS 142 CO -0.85 0.42 -0.62 0.93 -3.07 0.00 0.00 177.93 174.73 1k94 h GLU 143 N 0.00 0.53 -0.58 5.12 5.08 -1.29 -2.49 114.58 120.96 1k94 h GLU 143 Ca -0.00 -0.49 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 1k94 h GLU 143 Cb 0.77 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1k94 h GLU 143 CO 0.05 1.12 0.09 1.25 -1.00 0.00 0.00 179.01 180.52 1k94 h LEU 144 N 0.11 0.88 -0.83 1.33 5.85 -0.32 -0.10 115.31 122.23 1k94 h LEU 144 Ca -0.06 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1k94 h LEU 144 Cb 1.29 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1k94 h LEU 144 CO 0.13 0.89 0.55 -0.09 -0.34 0.00 0.00 178.44 179.58 1k94 h ARG 145 N 0.88 1.10 -0.39 1.25 2.43 -1.14 0.13 114.38 118.63 1k94 h ARG 145 Ca 0.18 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1k94 h ARG 145 Cb 0.39 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1k94 h ARG 145 CO 0.01 0.72 0.06 0.37 -1.51 0.00 0.00 179.97 179.62 1k94 h GLN 146 N 1.13 0.65 -0.74 0.20 4.15 -0.90 -1.47 115.11 118.13 1k94 h GLN 146 Ca 0.31 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1k94 h GLN 146 Cb -0.13 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.45 1k94 h GLN 146 CO -0.07 0.71 0.39 0.00 -1.93 0.00 0.00 178.83 177.93 1k94 h ALA 147 N 0.92 1.30 -0.41 3.38 0.00 -0.41 0.18 119.26 124.22 1k94 h ALA 147 Ca 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1k94 h ALA 147 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1k94 h ALA 147 CO 0.01 0.56 -0.11 0.82 0.00 0.00 0.00 179.25 180.53 1k94 h ILE 148 N 1.04 1.25 -0.47 0.00 2.04 -0.49 -1.08 117.51 119.80 1k94 h ILE 148 Ca 0.26 -1.14 -0.13 0.00 1.00 0.00 0.00 64.86 64.85 1k94 h ILE 148 Cb 0.04 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1k94 h ILE 148 CO -0.04 0.39 -0.21 1.23 0.00 0.00 0.00 178.15 179.52 1k94 h GLY 149 N 0.97 1.06 1.63 5.37 0.00 -0.24 -2.17 103.07 109.69 1k94 h GLY 149 Ca 0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1k94 h GLY 149 CO 0.04 0.86 0.19 1.41 0.00 0.00 0.00 176.54 179.03 1k94 h LEU 150 N 0.83 0.44 0.00 3.11 3.38 -0.21 -0.91 115.31 121.94 1k94 h LEU 150 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1k94 h LEU 150 Cb 0.79 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1k94 h LEU 150 CO 0.07 0.36 0.00 0.23 0.09 0.00 0.00 178.44 179.19 1k94 n MET 151 N -4.44 0.07 -0.16 1.13 2.81 -0.45 -4.91 117.12 111.17 1k94 n MET 151 Ca 0.02 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1k94 n MET 151 Cb 0.10 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1k94 n MET 151 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k94 n GLY 152 N 1.21 0.77 3.77 3.03 0.00 -0.35 -5.08 105.19 108.55 1k94 n GLY 152 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1k94 n GLY 152 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k94 s TYR 153 N -2.14 3.90 -0.72 1.61 1.51 -0.85 -5.01 117.35 115.64 1k94 s TYR 153 Ca 0.00 1.63 -0.01 0.00 -1.01 0.00 0.00 57.07 57.68 1k94 s TYR 153 Cb 0.00 -2.78 0.18 0.00 -0.11 0.00 0.00 41.96 39.25 1k94 s TYR 153 CO 0.00 0.49 0.55 1.03 -1.11 0.00 0.00 175.55 176.51 1k94 s ARG 154 N -1.04 2.77 0.12 -0.62 0.52 -1.26 -4.37 118.95 115.08 1k94 s ARG 154 Ca 0.36 -2.88 0.05 0.00 -0.52 0.00 0.00 55.73 52.74 1k94 s ARG 154 Cb -0.23 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 1k94 s ARG 154 CO 0.26 -1.21 0.06 -0.51 0.02 0.00 0.00 175.30 173.92 1k94 s LEU 155 N -0.66 3.63 0.71 2.53 1.43 -1.26 -5.12 118.68 119.94 1k94 s LEU 155 Ca 0.21 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1k94 s LEU 155 Cb -0.15 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1k94 s LEU 155 CO -0.08 0.13 1.07 -0.94 0.23 0.00 0.00 176.35 176.76 1k94 s SER 156 N -2.68 5.28 0.28 2.29 1.04 -1.26 -4.88 113.70 113.77 1k94 s SER 156 Ca 0.28 1.48 -0.01 0.00 0.48 0.00 0.00 55.95 58.19 1k94 s SER 156 Cb -0.11 -2.34 0.47 0.00 0.10 0.00 0.00 66.02 64.14 1k94 s SER 156 CO 0.21 -1.49 1.88 -0.65 0.98 0.00 0.00 173.24 174.17 1k94 h PRO 157 N -0.75 1.07 -0.56 4.02 0.11 -2.00 -1.78 132.00 132.11 1k94 h PRO 157 Ca -0.45 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1k94 h PRO 157 Cb 1.22 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1k94 h PRO 157 CO 0.59 0.71 0.06 0.37 -0.21 0.00 0.00 178.00 179.52 1k94 h GLN 158 N 1.10 0.95 -0.80 1.05 4.15 -1.99 -0.62 115.11 118.95 1k94 h GLN 158 Ca 0.44 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 1k94 h GLN 158 Cb 0.25 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.80 1k94 h GLN 158 CO -0.19 0.93 0.32 1.15 -1.93 0.00 0.00 178.83 179.11 1k94 h THR 159 N 0.84 1.26 -0.58 2.39 2.02 -1.80 0.04 112.91 117.09 1k94 h THR 159 Ca 0.17 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1k94 h THR 159 Cb 0.46 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1k94 h THR 159 CO 0.02 0.34 0.19 -0.07 0.37 0.00 0.00 175.52 176.36 1k94 h LEU 160 N 1.17 0.83 -0.12 2.58 3.38 -1.09 -0.55 115.31 121.50 1k94 h LEU 160 Ca 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1k94 h LEU 160 Cb 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1k94 h LEU 160 CO -0.02 0.81 0.08 0.74 0.09 0.00 0.00 178.44 180.14 1k94 h THR 161 N 0.81 1.03 -0.64 0.22 2.02 -0.61 -0.69 112.91 115.05 1k94 h THR 161 Ca 0.19 -0.06 0.04 0.00 0.77 0.00 0.00 66.41 67.35 1k94 h THR 161 Cb 0.27 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1k94 h THR 161 CO -0.01 0.03 0.37 0.74 0.37 0.00 0.00 175.52 177.02 1k94 h THR 162 N 0.16 1.02 -0.28 3.16 2.02 -0.73 -1.71 112.91 116.55 1k94 h THR 162 Ca 0.05 -0.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1k94 h THR 162 Cb -0.02 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1k94 h THR 162 CO -0.01 0.13 0.10 0.40 0.37 0.00 0.00 175.52 176.51 1k94 h ILE 163 N 0.71 1.19 -0.57 3.11 2.04 -0.75 -1.51 117.51 121.74 1k94 h ILE 163 Ca 0.27 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1k94 h ILE 163 Cb 0.10 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1k94 h ILE 163 CO -0.14 0.20 0.33 0.58 0.00 0.00 0.00 178.15 179.12 1k94 h VAL 164 N 0.30 1.18 -0.53 1.67 2.07 -0.87 -1.88 116.25 118.18 1k94 h VAL 164 Ca 0.09 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1k94 h VAL 164 Cb 0.22 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1k94 h VAL 164 CO -0.00 0.19 -0.02 0.11 0.02 0.00 0.00 177.57 177.86 1k94 h LYS 165 N 0.77 0.93 -0.22 1.57 1.79 -1.25 -1.81 116.57 118.35 1k94 h LYS 165 Ca 0.20 -0.28 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 1k94 h LYS 165 Cb 0.01 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1k94 h LYS 165 CO -0.04 0.93 -0.34 -0.09 -1.08 0.00 0.00 179.45 178.83 1k94 h ARG 166 N 0.85 0.47 -0.02 3.15 9.65 -1.00 -3.26 114.38 124.22 1k94 h ARG 166 Ca 0.15 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1k94 h ARG 166 Cb 0.53 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1k94 h ARG 166 CO 0.03 0.76 -0.15 0.66 2.80 0.00 0.00 179.97 184.06 1k94 n TYR 167 N -4.07 0.00 -2.91 2.20 4.01 -0.73 -4.97 117.16 110.70 1k94 n TYR 167 Ca -0.01 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.36 1k94 n TYR 167 Cb 0.46 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 1k94 n TYR 167 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1k94 s SER 168 N -2.10 7.29 -0.18 7.72 0.01 -0.69 -4.56 113.70 121.20 1k94 s SER 168 Ca 0.24 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.19 1k94 s SER 168 Cb 0.19 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.94 1k94 s SER 168 CO 0.38 0.03 -0.07 -0.54 0.41 0.00 0.00 173.24 173.45 1k94 s LYS 169 N -1.79 1.68 -1.90 12.44 1.02 0.12 -4.70 119.74 126.62 1k94 s LYS 169 Ca 0.44 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 55.77 1k94 s LYS 169 Cb -0.19 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1k94 s LYS 169 CO 0.24 -0.44 0.00 0.09 -0.92 0.00 0.00 175.35 174.32 1k94 n ASN 170 N 4.79 -5.76 0.00 2.83 3.02 -1.26 -2.22 115.26 116.67 1k94 n ASN 170 Ca -0.13 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1k94 n ASN 170 Cb 0.47 -4.88 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 1k94 n ASN 170 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k94 n GLY 171 N -0.83 0.18 3.21 7.41 0.00 -1.26 -5.08 105.19 108.83 1k94 n GLY 171 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1k94 n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k94 s ARG 172 N -0.91 0.96 -0.39 1.61 0.52 -0.94 -5.01 118.95 114.79 1k94 s ARG 172 Ca 0.00 -1.40 -0.08 0.00 -0.52 0.00 0.00 55.73 53.73 1k94 s ARG 172 Cb 0.00 -0.43 0.06 0.00 0.52 0.00 0.00 34.95 35.11 1k94 s ARG 172 CO 0.00 0.03 0.19 0.42 0.02 0.00 0.00 175.30 175.96 1k94 s ILE 173 N -3.47 3.99 0.78 1.52 1.01 -1.24 0.14 121.20 123.92 1k94 s ILE 173 Ca 0.15 -1.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1k94 s ILE 173 Cb 0.04 -3.39 0.07 0.00 0.01 0.00 0.00 42.46 39.19 1k94 s ILE 173 CO -0.02 -0.39 1.14 -0.36 0.00 0.00 0.00 174.94 175.32 1k94 s PHE 174 N 1.40 3.00 0.22 3.97 0.40 -1.26 -0.84 117.98 124.87 1k94 s PHE 174 Ca 0.02 0.75 -0.08 0.00 -0.60 0.00 0.00 56.93 57.02 1k94 s PHE 174 Cb -0.21 -3.39 0.35 0.00 0.51 0.00 0.00 43.02 40.28 1k94 s PHE 174 CO 0.02 -1.63 1.70 0.35 0.70 0.00 0.00 175.22 176.35 1k94 h PHE 175 N -0.93 0.22 -0.23 0.36 3.57 -1.94 0.54 116.94 118.54 1k94 h PHE 175 Ca -0.46 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.11 1k94 h PHE 175 Cb 1.32 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.03 1k94 h PHE 175 CO 0.34 -0.05 0.05 0.22 -2.23 0.00 0.00 178.31 176.64 1k94 h ASP 176 N 0.26 0.03 -0.14 0.41 -0.00 -1.89 -0.12 116.42 114.97 1k94 h ASP 176 Ca 0.35 0.03 -0.11 0.00 -0.00 0.00 0.00 57.03 57.30 1k94 h ASP 176 Cb 0.55 0.04 -0.01 0.00 -0.00 0.00 0.00 39.33 39.91 1k94 h ASP 176 CO -0.44 0.05 -0.26 0.44 -0.00 0.00 0.00 179.24 179.02 1k94 h ASP 177 N 0.14 0.62 -0.49 2.28 3.32 -1.76 -1.58 116.42 118.95 1k94 h ASP 177 Ca 0.10 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1k94 h ASP 177 Cb 0.09 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1k94 h ASP 177 CO -0.13 0.86 0.26 0.22 -1.72 0.00 0.00 179.24 178.73 1k94 h TYR 178 N 0.53 0.69 -0.48 4.55 3.20 -0.44 -0.36 116.97 124.66 1k94 h TYR 178 Ca 0.07 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1k94 h TYR 178 Cb 0.73 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1k94 h TYR 178 CO 0.03 0.52 -0.07 0.28 -1.64 0.00 0.00 178.16 177.28 1k94 h VAL 179 N 0.65 1.27 -0.90 1.81 2.07 -0.83 -1.38 116.25 118.95 1k94 h VAL 179 Ca 0.17 -1.19 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1k94 h VAL 179 Cb 0.08 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1k94 h VAL 179 CO -0.03 0.41 0.59 0.00 0.02 0.00 0.00 177.57 178.56 1k94 h ALA 180 N 0.90 1.45 -0.20 1.67 0.00 -1.02 0.78 119.26 122.84 1k94 h ALA 180 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1k94 h ALA 180 Cb 0.61 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1k94 h ALA 180 CO 0.04 0.45 0.04 0.00 0.00 0.00 0.00 179.25 179.78 1k94 h VAL 183 N 0.85 1.09 -0.56 0.00 2.07 -0.72 -2.22 116.25 116.75 1k94 h VAL 183 Ca 0.26 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1k94 h VAL 183 Cb -0.03 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1k94 h VAL 183 CO -0.08 0.08 0.09 0.50 0.02 0.00 0.00 177.57 178.18 1k94 h LYS 184 N 0.10 0.90 -0.73 1.57 3.64 -0.99 -0.10 116.57 120.95 1k94 h LYS 184 Ca 0.04 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1k94 h LYS 184 Cb 0.07 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1k94 h LYS 184 CO -0.01 0.84 0.43 -0.07 -2.27 0.00 0.00 179.45 178.37 1k94 h LEU 185 N 0.85 0.89 -0.27 5.20 3.38 -1.00 -0.07 115.31 124.29 1k94 h LEU 185 Ca 0.18 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1k94 h LEU 185 Cb 0.38 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1k94 h LEU 185 CO 0.01 0.70 -0.27 -0.09 0.09 0.00 0.00 178.44 178.88 1k94 h ARG 186 N 1.00 0.66 -0.29 1.13 2.43 -1.02 -1.83 114.38 116.46 1k94 h ARG 186 Ca 0.26 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1k94 h ARG 186 Cb -0.01 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1k94 h ARG 186 CO -0.05 0.95 0.11 0.00 -1.51 0.00 0.00 179.97 179.48 1k94 h ALA 187 N 0.69 0.38 -0.38 2.80 0.00 -0.81 -0.38 119.26 121.56 1k94 h ALA 187 Ca 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1k94 h ALA 187 Cb 0.83 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1k94 h ALA 187 CO 0.07 -0.01 -0.11 -0.07 0.00 0.00 0.00 179.25 179.13 1k94 h LEU 188 N 0.32 0.66 -0.71 0.00 3.38 -1.06 -2.42 115.31 115.49 1k94 h LEU 188 Ca 0.10 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1k94 h LEU 188 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1k94 h LEU 188 CO -0.01 0.80 -0.49 0.74 0.09 0.00 0.00 178.44 179.57 1k94 h THR 189 N 0.62 1.33 -0.40 0.22 2.02 -1.10 -1.01 112.91 114.58 1k94 h THR 189 Ca 0.11 -1.72 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 1k94 h THR 189 Cb 0.55 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1k94 h THR 189 CO 0.03 0.52 0.20 0.44 0.37 0.00 0.00 175.52 177.08 1k94 h ASP 190 N 0.30 0.52 -0.31 4.18 3.45 -0.79 0.85 116.42 124.63 1k94 h ASP 190 Ca 0.01 -0.12 -0.02 0.00 0.43 0.00 0.00 57.03 57.33 1k94 h ASP 190 Cb 0.98 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.60 1k94 h ASP 190 CO 0.08 0.49 0.11 0.15 -1.57 0.00 0.00 179.24 178.51 1k94 h PHE 191 N 0.51 0.48 -0.83 4.55 3.57 -1.27 -2.90 116.94 121.06 1k94 h PHE 191 Ca 0.14 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1k94 h PHE 191 Cb 0.11 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1k94 h PHE 191 CO -0.01 0.48 0.37 0.35 -2.23 0.00 0.00 178.31 177.26 1k94 h PHE 192 N 0.34 1.23 -0.08 0.41 3.04 -0.95 -2.66 116.94 118.27 1k94 h PHE 192 Ca 0.10 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1k94 h PHE 192 Cb 0.21 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 1k94 h PHE 192 CO 0.00 0.91 -0.01 -0.09 -2.02 0.00 0.00 178.31 177.10 1k94 h ARG 193 N 1.19 0.11 0.00 1.11 1.12 -0.69 -0.28 114.38 116.95 1k94 h ARG 193 Ca 0.28 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.14 1k94 h ARG 193 Cb 0.17 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 1k94 h ARG 193 CO -0.03 0.13 0.00 0.87 -3.11 0.00 0.00 179.97 177.83 1k94 h LYS 194 N 0.11 0.00 -0.21 0.20 1.57 -1.27 -1.40 116.57 115.58 1k94 h LYS 194 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1k94 h LYS 194 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1k94 h LYS 194 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.42 1k94 n ARG 195 N -2.30 2.10 -3.21 3.15 5.12 -0.16 -4.72 116.66 116.63 1k94 n ARG 195 Ca 0.01 -1.69 -0.24 0.00 -1.93 0.00 0.00 57.85 54.00 1k94 n ARG 195 Cb 0.19 -1.21 -0.07 0.00 -1.16 0.00 0.00 32.46 30.20 1k94 n ARG 195 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1k94 n ASP 196 N 0.41 -0.06 0.03 0.55 2.03 -0.53 -4.42 116.55 114.56 1k94 n ASP 196 Ca 0.08 -2.64 -0.05 0.00 0.52 0.00 0.00 54.79 52.70 1k94 n ASP 196 Cb 0.35 -0.54 0.16 0.00 -0.72 0.00 0.00 41.12 40.37 1k94 n ASP 196 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1k94 h HIS 197 N 4.33 0.53 0.00 -0.67 3.86 -1.85 -2.28 115.15 119.07 1k94 h HIS 197 Ca 0.10 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1k94 h HIS 197 Cb 0.89 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1k94 h HIS 197 CO 0.34 0.76 0.00 1.28 0.86 0.00 0.00 177.93 181.17 1k94 n LEU 198 N -4.05 0.00 -3.79 2.43 7.99 -1.26 -4.88 117.00 113.45 1k94 n LEU 198 Ca -0.01 0.34 -0.26 0.00 -0.01 0.00 0.00 56.01 56.06 1k94 n LEU 198 Cb 0.48 -0.34 0.04 0.00 -0.11 0.00 0.00 43.42 43.50 1k94 n LEU 198 CO 0.43 -0.07 0.09 0.00 -1.51 0.00 0.00 177.39 176.33 1k94 n GLN 199 N -1.34 -5.86 0.17 3.23 6.02 -0.86 -4.87 117.38 113.87 1k94 n GLN 199 Ca 0.10 0.66 0.13 0.00 -0.01 0.00 0.00 57.00 57.88 1k94 n GLN 199 Cb 0.21 -5.50 0.41 0.00 1.02 0.00 0.00 30.24 26.37 1k94 n GLN 199 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1k94 h GLN 200 N -2.14 0.00 0.00 -1.09 4.20 -1.90 -3.47 115.11 110.72 1k94 h GLN 200 Ca -0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.12 1k94 h GLN 200 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1k94 h GLN 200 CO 0.62 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.19 1k94 n GLY 201 N 0.76 0.71 3.27 3.46 0.00 -1.26 -5.06 105.19 107.08 1k94 n GLY 201 Ca 0.04 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1k94 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k94 s SER 202 N -2.42 -0.14 -0.07 1.61 1.04 -1.26 -5.18 113.70 107.27 1k94 s SER 202 Ca 0.00 -0.25 -0.31 0.00 0.48 0.00 0.00 55.95 55.88 1k94 s SER 202 Cb 0.00 0.39 0.08 0.00 0.10 0.00 0.00 66.02 66.59 1k94 s SER 202 CO 0.00 -0.69 0.75 0.00 0.98 0.00 0.00 173.24 174.28 1k94 s ALA 203 N -2.99 -1.80 -0.10 5.32 0.00 -1.26 -4.62 121.76 116.31 1k94 s ALA 203 Ca -0.02 1.37 -0.09 0.00 0.00 0.00 0.00 51.96 53.22 1k94 s ALA 203 Cb 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1k94 s ALA 203 CO -0.06 -0.36 0.20 -0.80 0.00 0.00 0.00 175.76 174.74 1k94 s ASN 204 N -1.19 6.47 -0.02 0.00 0.01 -1.26 -5.09 114.94 113.86 1k94 s ASN 204 Ca -0.09 0.56 0.01 0.00 -0.71 0.00 0.00 52.86 52.63 1k94 s ASN 204 Cb -0.00 -2.11 0.01 0.00 0.41 0.00 0.00 41.25 39.56 1k94 s ASN 204 CO 0.08 0.37 -0.04 -0.36 -1.51 0.00 0.00 177.10 175.64 1k94 s PHE 205 N -0.93 0.53 0.22 2.20 0.40 -1.26 -4.96 117.98 114.18 1k94 s PHE 205 Ca 0.16 -0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 56.18 1k94 s PHE 205 Cb -0.13 -0.43 -0.08 0.00 0.51 0.00 0.00 43.02 42.89 1k94 s PHE 205 CO 0.06 -0.08 0.74 0.96 0.70 0.00 0.00 175.22 177.60 1k94 s ILE 206 N 0.36 4.53 0.23 0.64 -4.36 -1.26 -4.88 121.20 116.45 1k94 s ILE 206 Ca -0.04 1.36 -0.17 0.00 -0.26 0.00 0.00 60.65 61.54 1k94 s ILE 206 Cb -0.08 -3.89 0.24 0.00 1.25 0.00 0.00 42.46 39.98 1k94 s ILE 206 CO -0.00 0.23 1.56 0.22 0.24 0.00 0.00 174.94 177.19 1k94 h TYR 207 N 3.48 -1.00 -0.84 1.37 -0.00 -2.00 -0.37 116.97 117.61 1k94 h TYR 207 Ca -0.48 0.10 0.03 0.00 -0.00 0.00 0.00 58.73 58.38 1k94 h TYR 207 Cb 1.19 0.57 -0.05 0.00 -0.00 0.00 0.00 36.73 38.45 1k94 h TYR 207 CO 0.64 -0.40 0.54 0.22 -0.00 0.00 0.00 178.16 179.16 1k94 h ASP 208 N -0.03 0.90 -0.36 -2.11 1.82 -2.00 -1.24 116.42 113.40 1k94 h ASP 208 Ca 0.34 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.93 1k94 h ASP 208 Cb 0.60 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1k94 h ASP 208 CO -0.93 0.62 0.04 -0.78 -1.61 0.00 0.00 179.24 176.57 1k94 h ASP 209 N 1.05 0.59 -0.40 2.28 -0.00 -1.63 -1.33 116.42 116.98 1k94 h ASP 209 Ca 0.34 -0.28 0.08 0.00 -0.00 0.00 0.00 57.03 57.16 1k94 h ASP 209 Cb 0.01 -0.16 -0.07 0.00 -0.00 0.00 0.00 39.33 39.12 1k94 h ASP 209 CO -0.12 0.72 -0.02 0.15 -0.00 0.00 0.00 179.24 179.97 1k94 h PHE 210 N 0.43 -0.06 -0.36 0.28 3.57 -0.53 -1.48 116.94 118.80 1k94 h PHE 210 Ca 0.11 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 1k94 h PHE 210 Cb 0.39 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1k94 h PHE 210 CO 0.03 -0.10 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.64 1k94 h LEU 211 N 0.08 0.79 -0.50 0.59 3.38 -1.11 -2.26 115.31 116.28 1k94 h LEU 211 Ca 0.20 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1k94 h LEU 211 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1k94 h LEU 211 CO -0.35 1.03 0.33 1.56 0.09 0.00 0.00 178.44 181.10 1k94 h GLN 212 N 0.65 0.66 -0.08 1.13 4.20 -0.61 0.30 115.11 121.36 1k94 h GLN 212 Ca 0.08 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.56 1k94 h GLN 212 Cb 0.82 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1k94 h GLN 212 CO 0.07 0.44 -0.72 0.78 -0.67 0.00 0.00 178.83 178.73 1k94 h GLY 213 N 0.67 0.43 1.04 3.46 0.00 -1.25 -3.12 103.07 104.29 1k94 h GLY 213 Ca 0.18 -0.60 -0.31 0.00 0.00 0.00 0.00 47.33 46.61 1k94 h GLY 213 CO -0.04 0.53 -1.68 -0.91 0.00 0.00 0.00 176.54 174.45 1k94 h THR 214 N 0.26 0.95 0.00 4.70 1.35 -1.27 -3.35 112.91 115.56 1k94 h THR 214 Ca -0.03 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 1k94 h THR 214 Cb 1.29 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1k94 h THR 214 CO 0.12 0.73 0.00 0.24 -0.25 0.00 0.00 175.52 176.36 1k94 h MET 215 N 0.04 0.00 0.00 4.72 2.86 -0.52 -3.02 114.93 119.01 1k94 h MET 215 Ca -0.29 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1k94 h MET 215 Cb 2.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.66 1k94 h MET 215 CO 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 176.91 178.06 1k94 h ALA 216 N 2.18 0.99 -0.01 6.32 0.00 -1.67 -3.51 119.26 123.56 1k94 h ALA 216 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k94 h ALA 216 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1k94 h ALA 216 CO 0.00 0.03 0.00 -0.89 0.00 0.00 0.00 179.25 178.39