#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kac s PRO 52 N 0.00 2.49 0.27 5.31 0.04 -1.26 -4.91 135.00 136.93 3kac s PRO 52 Ca 0.00 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 3kac s PRO 52 Cb 0.00 -1.88 0.57 0.00 0.04 0.00 0.00 34.50 33.23 3kac s PRO 52 CO 0.00 -1.56 1.72 0.00 0.04 0.00 0.00 177.00 177.21 3kac h ALA 53 N 0.12 1.24 -3.40 8.56 0.00 -2.04 -3.44 119.26 120.31 3kac h ALA 53 Ca -0.48 0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.33 3kac h ALA 53 Cb 1.29 0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.92 3kac h ALA 53 CO 0.52 -0.23 -0.72 1.03 0.00 0.00 0.00 179.25 179.85 3kac s ARG 54 N -5.96 0.24 0.21 0.00 0.52 -1.26 -4.25 118.95 108.46 3kac s ARG 54 Ca -0.12 -0.35 0.09 0.00 -0.52 0.00 0.00 55.73 54.83 3kac s ARG 54 Cb 0.22 -0.05 -0.04 0.00 0.52 0.00 0.00 34.95 35.60 3kac s ARG 54 CO 0.77 0.00 -0.04 0.14 0.02 0.00 0.00 175.30 176.20 3kac s VAL 55 N -0.74 3.41 -0.15 3.52 -7.23 -0.95 -4.90 120.40 113.35 3kac s VAL 55 Ca -0.07 -1.72 -0.03 0.00 -1.81 0.00 0.00 61.98 58.35 3kac s VAL 55 Cb -0.05 -2.75 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 3kac s VAL 55 CO -0.00 -0.22 -0.05 -0.60 -0.31 0.00 0.00 175.10 173.92 3kac s ARG 56 N -3.20 3.62 0.13 4.82 3.52 -0.38 -1.09 118.95 126.36 3kac s ARG 56 Ca 0.28 -0.54 0.06 0.00 -0.13 0.00 0.00 55.73 55.40 3kac s ARG 56 Cb -0.08 -2.88 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 3kac s ARG 56 CO 0.18 0.22 -0.14 0.00 -0.81 0.00 0.00 175.30 174.74 3kac s SER 58 N -2.46 6.05 0.20 0.00 0.01 0.73 -0.84 113.70 117.39 3kac s SER 58 Ca 0.09 -0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.16 3kac s SER 58 Cb -0.05 -1.51 -0.01 0.00 0.21 0.00 0.00 66.02 64.67 3kac s SER 58 CO 0.03 -0.24 0.34 -1.38 0.41 0.00 0.00 173.24 172.41 3kac s HIS 59 N -2.09 0.44 -0.12 2.43 -3.43 -0.24 -1.22 115.29 111.05 3kac s HIS 59 Ca 0.39 -0.78 -0.00 0.00 -0.80 0.00 0.00 55.06 53.87 3kac s HIS 59 Cb -0.09 -0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.08 3kac s HIS 59 CO 0.29 -0.81 -0.10 -1.17 -2.00 0.00 0.00 174.74 170.96 3kac s LEU 60 N -3.00 1.33 -0.18 5.38 0.20 -0.43 -4.44 118.68 117.54 3kac s LEU 60 Ca 0.21 -0.35 -0.06 0.00 0.69 0.00 0.00 54.13 54.61 3kac s LEU 60 Cb 0.02 -0.93 -0.04 0.00 -0.43 0.00 0.00 46.19 44.82 3kac s LEU 60 CO 0.04 -0.09 0.03 -0.22 -0.29 0.00 0.00 176.35 175.82 3kac s LEU 61 N 1.59 3.62 -0.26 -0.68 2.96 -1.26 -1.95 118.68 122.70 3kac s LEU 61 Ca 0.04 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 3kac s LEU 61 Cb -0.13 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 3kac s LEU 61 CO -0.08 0.15 0.05 -0.69 -1.32 0.00 0.00 176.35 174.46 3kac s VAL 62 N 0.50 3.99 0.66 1.68 1.01 0.14 -0.73 120.40 127.66 3kac s VAL 62 Ca 0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3kac s VAL 62 Cb -0.13 -2.93 0.05 0.00 0.00 0.00 0.00 36.38 33.37 3kac s VAL 62 CO 0.01 0.26 0.96 -0.54 0.00 0.00 0.00 175.10 175.79 3kac s LYS 63 N 1.55 2.35 0.30 2.72 1.02 -1.26 -1.49 119.74 124.92 3kac s LYS 63 Ca 0.05 -0.32 -0.01 0.00 0.02 0.00 0.00 55.97 55.71 3kac s LYS 63 Cb -0.16 -2.24 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 3kac s LYS 63 CO 0.02 -1.08 0.35 -3.38 -0.92 0.00 0.00 175.35 170.34 3kac s HIS 64 N -3.13 1.17 -0.23 3.18 -3.43 -1.26 -4.81 115.29 106.78 3kac s HIS 64 Ca 0.59 -1.33 0.25 0.00 -0.80 0.00 0.00 55.06 53.77 3kac s HIS 64 Cb -0.11 -0.31 1.20 0.00 -1.43 0.00 0.00 32.58 31.93 3kac s HIS 64 CO 0.44 -0.94 1.76 0.66 -2.00 0.00 0.00 174.74 174.66 3kac h SER 65 N 2.25 0.00 -0.46 7.38 4.64 -1.30 -1.57 113.55 124.49 3kac h SER 65 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3kac h SER 65 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kac h SER 65 CO 0.41 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.37 3kac n GLN 66 N -2.38 2.49 -1.66 4.77 6.02 -1.26 -4.90 117.38 120.46 3kac n GLN 66 Ca 0.00 -2.29 -0.36 0.00 -0.01 0.00 0.00 57.00 54.35 3kac n GLN 66 Cb 0.15 -1.47 0.07 0.00 1.02 0.00 0.00 30.24 30.01 3kac n GLN 66 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3kac s SER 67 N -1.23 4.50 0.28 1.08 0.01 -0.59 -4.92 113.70 112.82 3kac s SER 67 Ca 0.38 2.52 0.00 0.00 1.31 0.00 0.00 55.95 60.16 3kac s SER 67 Cb 0.21 -2.61 0.64 0.00 0.21 0.00 0.00 66.02 64.47 3kac s SER 67 CO 0.29 -2.07 1.67 -0.09 0.41 0.00 0.00 173.24 173.45 3kac h ARG 68 N 0.29 0.27 -3.04 12.44 2.43 -1.30 -3.28 114.38 122.19 3kac h ARG 68 Ca -0.50 -0.02 -0.60 0.00 -0.81 0.00 0.00 59.98 58.05 3kac h ARG 68 Cb 1.32 -0.06 -0.40 0.00 -0.42 0.00 0.00 29.97 30.41 3kac h ARG 68 CO 0.52 0.18 -0.76 0.50 -1.51 0.00 0.00 179.97 178.90 3kac s ARG 69 N -5.96 1.06 -1.34 0.20 3.52 -1.26 -5.04 118.95 110.14 3kac s ARG 69 Ca -0.12 -1.72 -0.07 0.00 -0.13 0.00 0.00 55.73 53.68 3kac s ARG 69 Cb 0.24 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.52 3kac s ARG 69 CO 0.77 -1.13 2.74 -0.35 -0.81 0.00 0.00 175.30 176.51 3kac n PRO 70 N 3.87 3.94 -4.08 5.12 -0.04 -1.24 -4.77 135.00 137.80 3kac n PRO 70 Ca 0.07 -2.70 -0.10 0.00 -0.04 0.00 0.00 63.50 60.73 3kac n PRO 70 Cb 0.36 -2.64 -0.07 0.00 -0.04 0.00 0.00 33.50 31.11 3kac n PRO 70 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kac s SER 71 N 1.26 0.04 0.25 3.54 1.04 -1.26 -0.70 113.70 117.88 3kac s SER 71 Ca 0.62 -1.14 -0.10 0.00 0.48 0.00 0.00 55.95 55.81 3kac s SER 71 Cb 0.20 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 3kac s SER 71 CO -0.08 -1.02 0.44 -0.94 0.98 0.00 0.00 173.24 172.61 3kac s SER 72 N -3.08 0.05 0.57 7.02 1.04 -0.23 -4.93 113.70 114.13 3kac s SER 72 Ca 0.29 -1.05 0.28 0.00 0.48 0.00 0.00 55.95 55.96 3kac s SER 72 Cb 0.02 0.57 1.49 0.00 0.10 0.00 0.00 66.02 68.21 3kac s SER 72 CO 0.11 -1.13 1.95 4.11 0.98 0.00 0.00 173.24 179.25 3kac h TRP 73 N 2.28 0.00 0.00 5.02 5.08 -1.92 -2.40 115.95 124.01 3kac h TRP 73 Ca -0.28 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.69 3kac h TRP 73 Cb 1.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 3kac h TRP 73 CO 0.53 0.00 -0.80 2.89 -1.28 0.00 0.00 178.44 179.77 3kac n ARG 74 N -3.90 1.42 -3.67 0.12 1.85 -1.26 -4.90 116.66 106.31 3kac n ARG 74 Ca 0.08 -0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.82 3kac n ARG 74 Cb 0.63 -1.30 -0.12 0.00 -1.05 0.00 0.00 32.46 30.63 3kac n ARG 74 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 3kac s GLN 75 N -2.60 0.23 0.23 2.89 0.74 -0.90 -5.06 119.66 115.19 3kac s GLN 75 Ca 0.06 0.82 -0.06 0.00 0.05 0.00 0.00 55.36 56.23 3kac s GLN 75 Cb 0.13 0.07 0.21 0.00 1.10 0.00 0.00 33.01 34.51 3kac s GLN 75 CO 0.69 -0.25 1.76 1.05 -0.55 0.00 0.00 175.29 177.99 3kac h GLU 76 N 8.01 1.06 -4.20 1.67 4.11 -1.91 -0.60 114.58 122.71 3kac h GLU 76 Ca -0.20 -0.24 -0.48 0.00 0.07 0.00 0.00 59.36 58.51 3kac h GLU 76 Cb 1.12 -0.15 -0.35 0.00 0.50 0.00 0.00 28.75 29.87 3kac h GLU 76 CO 0.17 0.92 -0.79 -1.14 0.07 0.00 0.00 179.01 178.25 3kac s GLN 77 N -5.30 1.27 -0.20 1.06 0.74 -1.26 -4.48 119.66 111.50 3kac s GLN 77 Ca -0.11 -0.22 -0.29 0.00 0.05 0.00 0.00 55.36 54.79 3kac s GLN 77 Cb 0.15 -1.25 -0.00 0.00 1.10 0.00 0.00 33.01 33.01 3kac s GLN 77 CO 0.83 -0.13 1.14 0.42 -0.55 0.00 0.00 175.29 177.00 3kac s ILE 78 N 1.20 4.51 -0.25 -2.34 -1.09 0.12 -4.90 121.20 118.45 3kac s ILE 78 Ca -0.05 1.82 0.09 0.00 -2.23 0.00 0.00 60.65 60.28 3kac s ILE 78 Cb -0.14 -4.17 -0.12 0.00 -1.58 0.00 0.00 42.46 36.45 3kac s ILE 78 CO -0.02 -0.15 0.31 0.35 -1.23 0.00 0.00 174.94 174.19 3kac n THR 79 N 5.31 0.00 -2.23 2.92 -2.24 -1.26 -4.04 114.28 112.74 3kac n THR 79 Ca 0.13 -0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.31 3kac n THR 79 Cb 0.46 0.70 -0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3kac n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kac s ARG 80 N -2.19 3.39 0.61 -0.78 1.70 -1.26 -4.74 118.95 115.68 3kac s ARG 80 Ca 0.01 1.45 -0.07 0.00 -0.47 0.00 0.00 55.73 56.65 3kac s ARG 80 Cb 0.06 -2.03 0.01 0.00 -0.57 0.00 0.00 34.95 32.43 3kac s ARG 80 CO 0.38 -0.78 0.93 0.95 -1.08 0.00 0.00 175.30 175.70 3kac s THR 81 N -2.01 3.69 0.36 4.99 -4.23 -1.26 -1.22 115.64 115.96 3kac s THR 81 Ca 0.69 0.11 0.05 0.00 -1.18 0.00 0.00 61.69 61.36 3kac s THR 81 Cb -0.20 -3.48 0.19 0.00 1.34 0.00 0.00 72.50 70.35 3kac s THR 81 CO 0.28 -0.52 1.93 0.06 -0.54 0.00 0.00 174.62 175.84 3kac h GLN 82 N -0.25 0.51 -0.14 3.99 3.07 -1.94 -1.08 115.11 119.27 3kac h GLN 82 Ca -0.45 -0.08 0.02 0.00 0.09 0.00 0.00 58.65 58.22 3kac h GLN 82 Cb 1.25 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 28.71 3kac h GLN 82 CO 0.61 0.48 0.03 1.49 0.09 0.00 0.00 178.83 181.53 3kac h GLU 83 N 0.50 0.09 -0.92 0.06 4.81 -2.00 -1.16 114.58 115.95 3kac h GLU 83 Ca 0.12 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3kac h GLU 83 Cb 0.21 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3kac h GLU 83 CO -0.00 0.06 0.61 0.93 -0.73 0.00 0.00 179.01 179.87 3kac h GLU 84 N 0.09 1.19 -0.17 1.92 5.08 -1.74 -1.63 114.58 119.32 3kac h GLU 84 Ca 0.06 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3kac h GLU 84 Cb 0.05 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3kac h GLU 84 CO -0.08 0.78 0.03 0.00 -1.00 0.00 0.00 179.01 178.75 3kac h ALA 85 N 1.35 0.17 -0.62 3.43 0.00 -0.96 -0.21 119.26 122.42 3kac h ALA 85 Ca 0.35 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 3kac h ALA 85 Cb -0.09 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3kac h ALA 85 CO -0.09 -0.41 0.11 1.25 0.00 0.00 0.00 179.25 180.11 3kac h LEU 86 N 0.10 0.95 -0.23 0.00 5.85 -0.97 -1.69 115.31 119.32 3kac h LEU 86 Ca 0.08 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3kac h LEU 86 Cb 0.07 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 3kac h LEU 86 CO -0.10 0.94 0.01 -0.33 -0.34 0.00 0.00 178.44 178.62 3kac h GLU 87 N 0.94 0.08 -0.20 1.25 5.08 -1.01 -0.85 114.58 119.88 3kac h GLU 87 Ca 0.19 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 3kac h GLU 87 Cb 0.39 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 3kac h GLU 87 CO 0.01 0.05 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.84 3kac h LEU 88 N 0.08 -0.51 -0.31 1.33 3.38 -0.67 0.58 115.31 119.20 3kac h LEU 88 Ca 0.11 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3kac h LEU 88 Cb 0.13 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3kac h LEU 88 CO -0.17 -0.20 -0.02 0.40 0.09 0.00 0.00 178.44 178.53 3kac h ILE 89 N -0.16 0.74 -0.47 1.22 1.08 -1.16 0.22 117.51 118.98 3kac h ILE 89 Ca 0.12 -0.02 -0.06 0.00 -0.39 0.00 0.00 64.86 64.51 3kac h ILE 89 Cb 0.34 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3kac h ILE 89 CO -0.30 0.01 0.05 0.78 -0.69 0.00 0.00 178.15 178.01 3kac h ASN 90 N 0.06 0.70 -0.66 1.72 2.35 -0.95 -0.90 115.58 117.90 3kac h ASN 90 Ca 0.15 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3kac h ASN 90 Cb 0.21 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 3kac h ASN 90 CO -0.27 0.73 0.21 1.23 -1.65 0.00 0.00 177.43 177.69 3kac h GLY 91 N 0.94 1.09 0.99 2.83 0.00 0.02 -1.94 103.07 107.02 3kac h GLY 91 Ca 0.15 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3kac h GLY 91 CO 0.01 0.60 0.35 -0.97 0.00 0.00 0.00 176.54 176.53 3kac h TYR 92 N 0.95 0.82 -0.41 5.60 0.05 -0.26 -1.98 116.97 121.74 3kac h TYR 92 Ca 0.21 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 3kac h TYR 92 Cb 0.28 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.74 3kac h TYR 92 CO 0.02 0.58 0.24 0.82 -1.05 0.00 0.00 178.16 178.77 3kac h ILE 93 N 0.83 1.14 -0.16 -2.88 2.04 -0.85 -0.08 117.51 117.55 3kac h ILE 93 Ca 0.22 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 3kac h ILE 93 Cb 0.02 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3kac h ILE 93 CO -0.04 0.14 -0.37 1.56 0.00 0.00 0.00 178.15 179.45 3kac h GLN 94 N 0.54 0.34 -0.08 2.37 1.08 -1.24 0.68 115.11 118.79 3kac h GLN 94 Ca 0.15 -0.15 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 3kac h GLN 94 Cb 0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3kac h GLN 94 CO -0.03 0.66 -0.80 0.87 -0.95 0.00 0.00 178.83 178.58 3kac h LYS 95 N 0.29 0.56 -0.57 1.46 1.57 -0.96 -1.57 116.57 117.34 3kac h LYS 95 Ca 0.03 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 58.22 3kac h LYS 95 Cb 0.78 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3kac h LYS 95 CO 0.06 1.11 -0.06 0.82 -0.57 0.00 0.00 179.45 180.82 3kac h ILE 96 N 0.36 1.27 -0.40 1.86 2.04 -0.90 -1.15 117.51 120.59 3kac h ILE 96 Ca -0.05 -1.21 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 3kac h ILE 96 Cb 1.41 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 3kac h ILE 96 CO 0.15 0.44 0.18 0.11 0.00 0.00 0.00 178.15 179.02 3kac h LYS 97 N 0.94 0.59 0.00 2.37 1.57 -0.81 -3.14 116.57 118.10 3kac h LYS 97 Ca 0.16 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 3kac h LYS 97 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3kac h LYS 97 CO 0.04 0.53 -0.47 0.66 -0.57 0.00 0.00 179.45 179.65 3kac h SER 98 N 0.50 0.00 0.00 0.86 4.64 -1.31 -3.47 113.55 114.77 3kac h SER 98 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3kac h SER 98 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3kac h SER 98 CO -0.01 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 3kac n GLY 99 N 0.06 0.57 0.25 -0.77 0.00 -0.83 -4.99 105.19 99.49 3kac n GLY 99 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 3kac n GLY 99 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kac h GLU 100 N 3.09 0.14 -5.33 1.61 4.81 -1.53 -3.44 114.58 113.92 3kac h GLU 100 Ca 0.00 -0.02 -0.40 0.00 -0.13 0.00 0.00 59.36 58.81 3kac h GLU 100 Cb 0.00 -0.03 -0.18 0.00 0.63 0.00 0.00 28.75 29.17 3kac h GLU 100 CO 0.00 0.19 -0.75 -1.21 -0.73 0.00 0.00 179.01 176.51 3kac s GLU 101 N -4.94 0.98 -0.15 1.92 0.41 -0.71 -4.99 118.70 111.22 3kac s GLU 101 Ca -0.05 -1.21 -0.04 0.00 -0.41 0.00 0.00 54.97 53.25 3kac s GLU 101 Cb 0.16 -0.83 -0.03 0.00 -1.78 0.00 0.00 34.13 31.65 3kac s GLU 101 CO 0.70 0.16 -0.01 0.34 -0.49 0.00 0.00 175.26 175.96 3kac s ASP 102 N -2.42 5.05 0.14 -0.19 -1.08 -1.26 -3.98 116.67 112.93 3kac s ASP 102 Ca 0.08 -0.04 -0.25 0.00 -0.52 0.00 0.00 52.55 51.82 3kac s ASP 102 Cb -0.05 -1.76 -0.01 0.00 -1.46 0.00 0.00 42.92 39.64 3kac s ASP 102 CO 0.02 0.21 1.62 0.15 0.52 0.00 0.00 175.17 177.69 3kac h PHE 103 N 6.43 -0.76 -0.23 -5.34 3.04 -1.97 -0.43 116.94 117.68 3kac h PHE 103 Ca -0.36 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.48 3kac h PHE 103 Cb 1.18 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 40.04 3kac h PHE 103 CO 0.55 -0.36 -0.46 0.93 -2.02 0.00 0.00 178.31 176.95 3kac h GLU 104 N -0.35 0.60 -0.40 1.11 5.08 -1.96 -1.30 114.58 117.37 3kac h GLU 104 Ca 0.10 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3kac h GLU 104 Cb 0.50 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3kac h GLU 104 CO -0.34 0.94 0.20 0.77 -1.00 0.00 0.00 179.01 179.58 3kac h SER 105 N 0.48 0.30 -0.46 1.42 0.02 -1.82 -1.89 113.55 111.60 3kac h SER 105 Ca 0.03 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3kac h SER 105 Cb 0.99 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 3kac h SER 105 CO 0.09 0.21 0.26 -0.07 -1.14 0.00 0.00 176.83 176.19 3kac h LEU 106 N 0.41 0.41 -0.97 5.07 3.38 -0.82 -2.74 115.31 120.04 3kac h LEU 106 Ca 0.17 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3kac h LEU 106 Cb 0.07 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kac h LEU 106 CO -0.12 0.29 0.26 0.00 0.09 0.00 0.00 178.44 178.97 3kac h ALA 107 N 1.22 1.18 0.00 1.53 0.00 -1.13 -1.04 119.26 121.02 3kac h ALA 107 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kac h ALA 107 Cb 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kac h ALA 107 CO -0.10 0.59 -0.01 0.66 0.00 0.00 0.00 179.25 180.39 3kac h SER 108 N 0.99 0.00 0.01 0.00 4.64 -1.04 -2.52 113.55 115.63 3kac h SER 108 Ca 0.23 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.16 3kac h SER 108 Cb 0.20 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.22 3kac h SER 108 CO -0.02 0.01 -2.43 0.00 -0.87 0.00 0.00 176.83 173.51 3kac n GLN 109 N -3.11 0.66 0.00 4.77 6.02 -0.97 -4.74 117.38 120.02 3kac n GLN 109 Ca -0.01 0.14 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3kac n GLN 109 Cb 0.21 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.93 3kac n GLN 109 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3kac n PHE 110 N -3.21 0.00 -2.04 1.08 3.72 -0.43 -5.04 117.46 111.55 3kac n PHE 110 Ca -0.43 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.56 3kac n PHE 110 Cb 1.02 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.53 3kac n PHE 110 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3kac s SER 111 N -0.90 6.68 0.00 4.37 0.15 -0.95 -4.86 113.70 118.19 3kac s SER 111 Ca 0.00 2.65 0.18 0.00 0.70 0.00 0.00 55.95 59.48 3kac s SER 111 Cb 0.00 -2.63 0.90 0.00 -1.71 0.00 0.00 66.02 62.58 3kac s SER 111 CO 0.00 -0.67 1.60 0.47 1.20 0.00 0.00 173.24 175.84 3kac n ASP 112 N 2.18 0.60 -4.88 5.45 8.00 0.09 -4.72 116.55 123.27 3kac n ASP 112 Ca 0.06 -1.57 -0.36 0.00 0.71 0.00 0.00 54.79 53.63 3kac n ASP 112 Cb 0.41 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.41 3kac n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kac n SER 114 N 1.79 0.00 0.00 0.00 3.41 -1.26 -1.13 113.62 116.42 3kac n SER 114 Ca -0.18 -0.24 0.06 0.00 -0.26 0.00 0.00 58.87 58.25 3kac n SER 114 Cb 0.54 -0.16 0.31 0.00 -0.26 0.00 0.00 64.21 64.64 3kac n SER 114 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kac n SER 115 N -1.16 0.00 -0.26 4.04 3.41 -1.26 -2.70 113.62 115.70 3kac n SER 115 Ca 0.11 -0.01 0.20 0.00 -0.26 0.00 0.00 58.87 58.91 3kac n SER 115 Cb 0.11 -0.21 0.52 0.00 -0.26 0.00 0.00 64.21 64.37 3kac n SER 115 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kac h ALA 116 N 2.60 2.25 0.00 7.33 0.00 -1.36 0.23 119.26 130.30 3kac h ALA 116 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kac h ALA 116 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kac h ALA 116 CO 0.00 -0.56 0.00 1.57 0.00 0.00 0.00 179.25 180.26 3kac h LYS 117 N 0.39 0.00 -0.32 0.00 2.10 -1.79 -1.64 116.57 115.31 3kac h LYS 117 Ca 0.49 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 59.03 3kac h LYS 117 Cb 1.27 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.53 3kac h LYS 117 CO -0.19 0.00 -0.02 0.00 -2.00 0.00 0.00 179.45 177.24 3kac n ALA 118 N -1.91 3.77 -3.73 0.07 0.00 -0.47 -4.93 120.51 113.29 3kac n ALA 118 Ca 0.01 -2.80 -0.28 0.00 0.00 0.00 0.00 53.44 50.37 3kac n ALA 118 Cb 0.23 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 18.97 3kac n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kac n ARG 119 N -0.90 -5.52 0.00 0.00 1.74 -0.61 -1.92 116.66 109.44 3kac n ARG 119 Ca 0.29 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 3kac n ARG 119 Cb 0.99 -5.53 0.00 0.00 -1.02 0.00 0.00 32.46 26.90 3kac n ARG 119 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kac n GLY 120 N -1.66 2.20 3.66 -0.13 0.00 0.69 -4.69 105.19 105.27 3kac n GLY 120 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kac n GLY 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kac s ASP 121 N -2.33 6.62 0.00 1.61 3.68 -0.81 -1.08 116.67 124.36 3kac s ASP 121 Ca 0.00 2.36 0.26 0.00 2.13 0.00 0.00 52.55 57.29 3kac s ASP 121 Cb 0.00 -2.54 0.61 0.00 -1.45 0.00 0.00 42.92 39.55 3kac s ASP 121 CO 0.00 -0.94 1.48 0.18 0.13 0.00 0.00 175.17 176.01 3kac n LEU 122 N 6.97 0.96 0.00 -1.34 4.77 -0.02 -4.85 117.00 123.49 3kac n LEU 122 Ca 0.18 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3kac n LEU 122 Cb 0.42 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3kac n LEU 122 CO 0.63 0.19 -0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3kac n GLY 123 N 1.39 -2.17 3.82 -0.72 0.00 -1.25 -4.89 105.19 101.37 3kac n GLY 123 Ca 0.10 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 3kac n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kac s ALA 124 N -1.01 3.21 -0.04 4.61 0.00 -1.26 -3.21 121.76 124.06 3kac s ALA 124 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 3kac s ALA 124 Cb 0.00 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.14 3kac s ALA 124 CO 0.00 0.23 0.25 -0.59 0.00 0.00 0.00 175.76 175.65 3kac s PHE 125 N -1.90 -0.16 0.85 0.00 -0.71 -0.25 -4.96 117.98 110.85 3kac s PHE 125 Ca 0.54 0.32 -0.09 0.00 -1.04 0.00 0.00 56.93 56.66 3kac s PHE 125 Cb -0.13 0.06 0.17 0.00 -1.21 0.00 0.00 43.02 41.91 3kac s PHE 125 CO 0.18 -0.29 1.17 -1.54 -1.34 0.00 0.00 175.22 173.41 3kac s SER 126 N -0.87 3.68 0.68 1.98 1.04 -1.26 -2.25 113.70 116.70 3kac s SER 126 Ca -0.09 -0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.15 3kac s SER 126 Cb -0.05 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.91 3kac s SER 126 CO 0.02 -2.34 1.21 -0.13 0.98 0.00 0.00 173.24 172.98 3kac s ARG 127 N -5.55 2.47 0.00 4.02 0.52 -1.26 -3.89 118.95 115.26 3kac s ARG 127 Ca 0.70 1.78 0.00 0.00 -0.52 0.00 0.00 55.73 57.69 3kac s ARG 127 Cb -0.04 -1.87 0.00 0.00 0.52 0.00 0.00 34.95 33.55 3kac s ARG 127 CO 0.49 -1.58 0.00 0.41 0.02 0.00 0.00 175.30 174.64 3kac n GLY 128 N 0.40 0.66 0.50 -3.53 0.00 -1.26 -4.88 105.19 97.07 3kac n GLY 128 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 3kac n GLY 128 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3kac n GLN 129 N -2.64 0.33 -2.92 1.61 7.27 -1.25 -5.03 117.38 114.76 3kac n GLN 129 Ca 0.00 0.14 -0.30 0.00 0.07 0.00 0.00 57.00 56.91 3kac n GLN 129 Cb 0.00 -1.07 -0.03 0.00 2.41 0.00 0.00 30.24 31.55 3kac n GLN 129 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3kac s MET 130 N -2.37 3.77 0.24 3.69 -1.94 -1.26 -5.03 119.30 116.40 3kac s MET 130 Ca -0.21 0.42 -0.29 0.00 -1.71 0.00 0.00 55.69 53.90 3kac s MET 130 Cb 0.07 -2.42 -0.15 0.00 2.01 0.00 0.00 34.83 34.34 3kac s MET 130 CO 0.28 -0.00 0.92 1.04 -0.01 0.00 0.00 175.02 177.24 3kac n GLN 131 N -1.23 0.94 -0.22 2.03 6.02 -1.26 -4.55 117.38 119.11 3kac n GLN 131 Ca 0.02 0.33 0.02 0.00 -0.01 0.00 0.00 57.00 57.36 3kac n GLN 131 Cb 0.54 -1.64 0.13 0.00 1.02 0.00 0.00 30.24 30.29 3kac n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3kac h LYS 132 N 2.04 0.29 -0.22 -1.09 3.64 -1.97 -0.74 116.57 118.52 3kac h LYS 132 Ca -0.38 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.94 3kac h LYS 132 Cb 1.37 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3kac h LYS 132 CO 0.62 0.19 -0.05 -1.35 -2.27 0.00 0.00 179.45 176.59 3kac h PRO 133 N 0.30 0.33 -0.03 1.90 0.11 -1.89 0.21 132.00 132.93 3kac h PRO 133 Ca 0.34 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.37 3kac h PRO 133 Cb 0.52 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3kac h PRO 133 CO -0.41 0.40 -0.08 0.35 -0.21 0.00 0.00 178.00 178.05 3kac h PHE 134 N 0.32 0.13 -0.37 0.65 3.04 -1.61 -1.95 116.94 117.14 3kac h PHE 134 Ca 0.07 -0.05 0.08 0.00 3.98 0.00 0.00 57.97 62.05 3kac h PHE 134 Cb 0.30 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 38.71 3kac h PHE 134 CO 0.01 0.69 -0.13 1.49 -2.02 0.00 0.00 178.31 178.34 3kac h GLU 135 N -0.47 -0.05 -0.63 1.11 4.81 -0.92 -1.20 114.58 117.22 3kac h GLU 135 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3kac h GLU 135 Cb 0.69 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3kac h GLU 135 CO 0.02 -0.04 0.34 -0.44 -0.73 0.00 0.00 179.01 178.16 3kac h ASP 136 N -0.06 0.79 -0.52 1.04 3.32 -0.58 -1.53 116.42 118.89 3kac h ASP 136 Ca 0.18 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3kac h ASP 136 Cb 0.33 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3kac h ASP 136 CO -0.41 0.66 0.01 0.00 -1.72 0.00 0.00 179.24 177.78 3kac h ALA 137 N 1.16 0.70 -0.23 3.45 0.00 -1.22 -2.77 119.26 120.35 3kac h ALA 137 Ca 0.22 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kac h ALA 137 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3kac h ALA 137 CO -0.04 0.50 0.09 0.77 0.00 0.00 0.00 179.25 180.58 3kac h SER 138 N 0.78 0.12 1.06 0.00 0.02 -0.93 -2.78 113.55 111.82 3kac h SER 138 Ca 0.15 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3kac h SER 138 Cb 0.51 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 3kac h SER 138 CO 0.03 0.10 0.00 -0.26 -1.14 0.00 0.00 176.83 175.56 3kac h PHE 139 N 0.21 0.00 0.00 3.45 -1.00 -1.24 -2.72 116.94 115.63 3kac h PHE 139 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 3kac h PHE 139 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3kac h PHE 139 CO -0.11 0.00 -0.61 0.00 -1.61 0.00 0.00 178.31 175.98 3kac n ALA 140 N -1.93 3.65 -1.81 2.45 0.00 -1.05 -4.88 120.51 116.94 3kac n ALA 140 Ca 0.02 -0.38 -0.34 0.00 0.00 0.00 0.00 53.44 52.74 3kac n ALA 140 Cb 0.31 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 3kac n ALA 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kac s LEU 141 N -3.14 4.04 0.61 0.00 1.43 -1.03 -5.08 118.68 115.51 3kac s LEU 141 Ca 0.10 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 3kac s LEU 141 Cb 0.17 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 3kac s LEU 141 CO 0.73 -0.34 1.03 -0.13 0.23 0.00 0.00 176.35 177.87 3kac s ARG 142 N -2.89 3.56 0.34 1.70 0.52 -1.26 -5.00 118.95 115.93 3kac s ARG 142 Ca 0.59 0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 56.35 3kac s ARG 142 Cb -0.13 -2.08 -0.11 0.00 0.52 0.00 0.00 34.95 33.16 3kac s ARG 142 CO 0.17 -0.60 1.39 0.95 0.02 0.00 0.00 175.30 177.23 3kac s THR 143 N -3.04 2.43 0.00 0.02 -4.23 -1.26 -1.91 115.64 107.65 3kac s THR 143 Ca 0.56 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.50 3kac s THR 143 Cb -0.11 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.45 3kac s THR 143 CO 0.49 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 3kac n GLY 144 N 0.77 1.02 3.85 3.99 0.00 0.24 -4.99 105.19 110.07 3kac n GLY 144 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3kac n GLY 144 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kac s GLU 145 N -0.04 3.14 0.05 1.61 2.12 -0.80 -4.92 118.70 119.85 3kac s GLU 145 Ca 0.00 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.80 3kac s GLU 145 Cb 0.00 -2.85 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 3kac s GLU 145 CO 0.00 0.57 -0.23 1.41 -0.54 0.00 0.00 175.26 176.47 3kac s MET 146 N -2.62 1.89 0.74 4.30 -2.45 -1.26 -2.53 119.30 117.38 3kac s MET 146 Ca 0.32 -1.07 -0.08 0.00 -1.25 0.00 0.00 55.69 53.61 3kac s MET 146 Cb -0.12 -2.06 0.08 0.00 1.25 0.00 0.00 34.83 33.97 3kac s MET 146 CO 0.25 0.52 1.07 -1.54 1.05 0.00 0.00 175.02 176.37 3kac s SER 147 N -1.38 4.63 0.41 1.11 1.04 0.77 -4.95 113.70 115.32 3kac s SER 147 Ca 0.13 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3kac s SER 147 Cb -0.10 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 64.95 3kac s SER 147 CO 0.04 -1.75 0.00 0.61 0.98 0.00 0.00 173.24 173.12 3kac n GLY 148 N -3.06 -0.97 3.74 7.32 0.00 -1.26 -4.57 105.19 106.38 3kac n GLY 148 Ca 0.09 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3kac n GLY 148 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kac s PRO 149 N -1.22 4.15 -0.10 1.61 0.02 -1.26 -4.51 135.00 133.70 3kac s PRO 149 Ca 0.00 2.54 0.03 0.00 0.02 0.00 0.00 61.00 63.59 3kac s PRO 149 Cb 0.00 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.47 3kac s PRO 149 CO 0.00 -0.64 -0.18 0.08 -0.33 0.00 0.00 177.00 175.93 3kac s VAL 150 N 0.42 1.65 -0.20 3.83 1.01 0.71 -4.94 120.40 122.88 3kac s VAL 150 Ca 0.67 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 3kac s VAL 150 Cb -0.47 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3kac s VAL 150 CO 0.42 0.47 0.07 -0.36 0.00 0.00 0.00 175.10 175.70 3kac s PHE 151 N 0.64 3.22 0.28 5.22 0.40 -1.26 -0.46 117.98 126.03 3kac s PHE 151 Ca -0.13 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 3kac s PHE 151 Cb -0.16 -2.12 -0.05 0.00 0.51 0.00 0.00 43.02 41.20 3kac s PHE 151 CO 0.04 0.05 0.12 0.95 0.70 0.00 0.00 175.22 177.08 3kac s THR 152 N 0.65 0.50 0.56 0.64 -4.23 -0.61 -4.68 115.64 108.47 3kac s THR 152 Ca 0.04 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 58.82 3kac s THR 152 Cb -0.13 -2.59 0.38 0.00 1.34 0.00 0.00 72.50 71.51 3kac s THR 152 CO 0.02 0.00 2.00 0.44 -0.54 0.00 0.00 174.62 176.53 3kac h ASP 153 N 2.28 0.00 1.34 3.99 3.32 -2.00 -2.40 116.42 122.96 3kac h ASP 153 Ca -0.37 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.63 3kac h ASP 153 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3kac h ASP 153 CO 0.58 0.00 -0.27 0.28 -1.72 0.00 0.00 179.24 178.11 3kac h SER 154 N 0.00 0.00 0.00 6.45 0.02 -1.95 -0.43 113.55 117.64 3kac h SER 154 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3kac h SER 154 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3kac h SER 154 CO -0.00 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 3kac n GLY 155 N 0.71 0.42 3.31 -3.77 0.00 -0.90 -4.52 105.19 100.44 3kac n GLY 155 Ca 0.02 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 3kac n GLY 155 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kac s ILE 156 N -4.00 2.44 0.18 -0.61 1.01 -0.56 -1.58 121.20 118.09 3kac s ILE 156 Ca 0.00 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.83 3kac s ILE 156 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3kac s ILE 156 CO 0.00 0.56 -0.19 -1.00 0.00 0.00 0.00 174.94 174.31 3kac s HIS 157 N 0.02 1.92 0.12 3.97 3.76 0.39 0.26 115.29 125.73 3kac s HIS 157 Ca -0.07 -0.45 0.10 0.00 -0.15 0.00 0.00 55.06 54.48 3kac s HIS 157 Cb -0.15 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 3kac s HIS 157 CO 0.05 0.39 -0.21 0.96 -0.85 0.00 0.00 174.74 175.08 3kac s ILE 158 N -2.13 2.64 -0.02 0.60 -4.36 -0.82 -0.21 121.20 116.90 3kac s ILE 158 Ca 0.18 -1.59 0.03 0.00 -0.26 0.00 0.00 60.65 59.01 3kac s ILE 158 Cb -0.05 -2.20 -0.00 0.00 1.25 0.00 0.00 42.46 41.45 3kac s ILE 158 CO 0.08 0.10 -0.11 -0.63 0.24 0.00 0.00 174.94 174.62 3kac s ILE 159 N -1.11 0.89 -0.23 8.37 1.01 -1.26 -1.31 121.20 127.55 3kac s ILE 159 Ca 0.17 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.37 3kac s ILE 159 Cb -0.10 -0.76 0.03 0.00 0.01 0.00 0.00 42.46 41.64 3kac s ILE 159 CO 0.09 0.26 -0.12 -0.22 0.00 0.00 0.00 174.94 174.95 3kac s LEU 160 N -0.08 2.94 -0.13 2.97 2.96 -0.36 -0.16 118.68 126.81 3kac s LEU 160 Ca 0.01 -0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 52.66 3kac s LEU 160 Cb -0.06 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3kac s LEU 160 CO 0.00 -0.11 1.07 -0.60 -1.32 0.00 0.00 176.35 175.40 3kac s ARG 161 N 1.24 4.36 -0.16 1.98 3.52 -1.05 -0.19 118.95 128.65 3kac s ARG 161 Ca -0.01 1.46 0.09 0.00 -0.13 0.00 0.00 55.73 57.14 3kac s ARG 161 Cb -0.17 -3.59 -0.16 0.00 -1.56 0.00 0.00 34.95 29.48 3kac s ARG 161 CO -0.07 -0.45 -0.02 0.25 -0.81 0.00 0.00 175.30 174.20 3kac n THR 162 N 4.81 1.02 -0.74 4.11 -2.24 0.31 0.83 114.28 122.37 3kac n THR 162 Ca 0.10 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3kac n THR 162 Cb 0.47 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3kac n THR 162 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88