#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdf s ILE 46 N 0.00 4.55 -0.15 1.59 2.07 -1.26 -4.74 121.20 123.25 3kdf s ILE 46 Ca 0.00 1.45 0.01 0.00 -1.41 0.00 0.00 60.65 60.69 3kdf s ILE 46 Cb 0.00 -4.01 0.00 0.00 0.13 0.00 0.00 42.46 38.58 3kdf s ILE 46 CO 0.00 0.50 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.68 3kdf s VAL 47 N -1.18 2.57 0.18 4.00 1.01 -0.71 -4.95 120.40 121.32 3kdf s VAL 47 Ca 0.34 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3kdf s VAL 47 Cb -0.21 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 3kdf s VAL 47 CO 0.23 0.52 1.34 -2.84 0.00 0.00 0.00 175.10 174.35 3kdf s PRO 48 N 0.83 4.36 0.15 2.72 0.02 -1.26 -1.82 135.00 140.00 3kdf s PRO 48 Ca -0.05 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.04 3kdf s PRO 48 Cb -0.15 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 3kdf s PRO 48 CO -0.01 -0.32 0.04 0.00 -0.33 0.00 0.00 177.00 176.39 3kdf s THR 50 N -3.91 5.24 0.24 0.00 -4.23 -1.26 -4.45 115.64 107.26 3kdf s THR 50 Ca 0.26 -0.76 -0.07 0.00 -1.18 0.00 0.00 61.69 59.94 3kdf s THR 50 Cb 0.07 -3.82 0.22 0.00 1.34 0.00 0.00 72.50 70.31 3kdf s THR 50 CO 0.04 -0.30 1.90 0.40 -0.54 0.00 0.00 174.62 176.12 3kdf h ILE 51 N 1.25 1.20 -0.92 2.99 2.04 -1.94 -1.45 117.51 120.68 3kdf h ILE 51 Ca -0.50 -0.41 0.12 0.00 1.00 0.00 0.00 64.86 65.07 3kdf h ILE 51 Cb 1.22 -0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 3kdf h ILE 51 CO 0.64 0.22 0.59 0.77 0.00 0.00 0.00 178.15 180.36 3kdf h SER 52 N 1.20 0.77 -0.23 1.72 4.64 -1.94 0.19 113.55 119.91 3kdf h SER 52 Ca 0.35 0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.66 3kdf h SER 52 Cb -0.09 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 3kdf h SER 52 CO -0.09 0.42 -0.04 1.56 -0.87 0.00 0.00 176.83 177.81 3kdf h GLN 53 N 0.83 0.44 -0.15 4.77 4.20 -1.67 -2.47 115.11 121.07 3kdf h GLN 53 Ca 0.45 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3kdf h GLN 53 Cb 0.56 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3kdf h GLN 53 CO -0.21 0.66 0.09 -0.07 -0.67 0.00 0.00 178.83 178.63 3kdf h LEU 54 N 0.18 0.17 -2.03 1.46 3.38 -0.66 -1.73 115.31 116.09 3kdf h LEU 54 Ca 0.06 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.13 3kdf h LEU 54 Cb 0.48 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3kdf h LEU 54 CO 0.02 0.15 0.34 -0.07 0.09 0.00 0.00 178.44 178.97 3kdf h LEU 55 N 0.19 0.00 0.00 1.67 3.38 -0.98 -1.34 115.31 118.23 3kdf h LEU 55 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kdf h LEU 55 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kdf h LEU 55 CO -0.01 0.00 -0.48 0.77 0.09 0.00 0.00 178.44 178.81 3kdf h SER 56 N 0.00 0.00 -3.20 -0.43 4.64 -0.84 -3.48 113.55 110.24 3kdf h SER 56 Ca 0.21 -0.08 -0.57 0.00 -0.47 0.00 0.00 61.79 60.87 3kdf h SER 56 Cb 0.89 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.10 3kdf h SER 56 CO -0.00 0.04 0.39 0.00 -0.87 0.00 0.00 176.83 176.39 3kdf n ALA 57 N -1.95 0.89 -2.76 5.18 0.00 -0.51 -4.93 120.51 116.43 3kdf n ALA 57 Ca 0.03 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.47 3kdf n ALA 57 Cb 0.48 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 3kdf n ALA 57 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kdf s THR 58 N -1.14 5.27 -0.17 0.00 -4.23 -0.13 -4.87 115.64 110.37 3kdf s THR 58 Ca 0.58 -0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.08 3kdf s THR 58 Cb -0.57 -3.60 -0.00 0.00 1.34 0.00 0.00 72.50 69.66 3kdf s THR 58 CO 0.60 0.20 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.53 3kdf s LEU 59 N -2.25 2.58 -0.27 4.79 2.96 -1.26 -1.01 118.68 124.23 3kdf s LEU 59 Ca 0.34 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3kdf s LEU 59 Cb -0.13 -1.61 0.16 0.00 0.50 0.00 0.00 46.19 45.11 3kdf s LEU 59 CO 0.22 0.06 0.46 -0.69 -1.32 0.00 0.00 176.35 175.08 3kdf s VAL 60 N 0.94 -0.74 -0.04 1.68 1.01 -1.02 -4.82 120.40 117.40 3kdf s VAL 60 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3kdf s VAL 60 Cb -0.15 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3kdf s VAL 60 CO -0.01 -0.10 0.00 0.47 0.00 0.00 0.00 175.10 175.46 3kdf n ASP 61 N 5.39 -3.08 -0.74 3.32 9.92 -1.26 -2.88 116.55 127.22 3kdf n ASP 61 Ca -0.02 0.01 -0.10 0.00 -0.53 0.00 0.00 54.79 54.15 3kdf n ASP 61 Cb 0.50 -0.62 -0.04 0.00 -0.64 0.00 0.00 41.12 40.33 3kdf n ASP 61 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3kdf n GLU 62 N -2.93 -0.73 -4.25 -1.24 4.71 -1.26 -4.99 120.64 109.94 3kdf n GLU 62 Ca -0.00 0.82 -0.34 0.00 -0.01 0.00 0.00 57.16 57.63 3kdf n GLU 62 Cb 0.02 -4.74 -0.11 0.00 -1.01 0.00 0.00 31.44 25.59 3kdf n GLU 62 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3kdf s VAL 63 N -2.32 4.18 0.15 2.62 -7.23 -1.14 -5.10 120.40 111.56 3kdf s VAL 63 Ca 0.00 -0.25 -0.26 0.00 -1.81 0.00 0.00 61.98 59.66 3kdf s VAL 63 Cb 0.00 -2.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.01 3kdf s VAL 63 CO 0.00 0.48 0.80 -0.36 -0.31 0.00 0.00 175.10 175.71 3kdf s PHE 64 N 0.42 3.89 -0.02 2.82 2.99 -1.26 -2.44 117.98 124.38 3kdf s PHE 64 Ca -0.01 1.65 0.00 0.00 0.00 0.00 0.00 56.93 58.57 3kdf s PHE 64 Cb -0.14 -2.81 0.02 0.00 0.00 0.00 0.00 43.02 40.09 3kdf s PHE 64 CO 0.02 0.46 0.01 1.03 -0.00 0.00 0.00 175.22 176.74 3kdf s ARG 65 N -0.92 0.08 -0.46 0.44 0.52 -0.18 -1.56 118.95 116.87 3kdf s ARG 65 Ca 0.37 0.10 -0.10 0.00 -0.52 0.00 0.00 55.73 55.58 3kdf s ARG 65 Cb -0.23 -0.26 0.11 0.00 0.52 0.00 0.00 34.95 35.09 3kdf s ARG 65 CO 0.27 -0.11 0.34 0.42 0.02 0.00 0.00 175.30 176.24 3kdf s ILE 66 N 0.75 4.35 0.00 1.52 1.01 0.38 -0.95 121.20 128.25 3kdf s ILE 66 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 58.96 3kdf s ILE 66 Cb -0.10 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.58 3kdf s ILE 66 CO -0.02 -0.70 0.00 0.61 0.00 0.00 0.00 174.94 174.83 3kdf n GLY 67 N 4.95 1.91 0.52 6.18 0.00 -1.26 -1.94 105.19 115.56 3kdf n GLY 67 Ca -0.09 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.59 3kdf n GLY 67 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kdf n ASN 68 N 4.78 1.61 -4.58 1.61 4.13 -1.26 -4.83 115.26 116.72 3kdf n ASN 68 Ca 0.00 -1.56 -0.43 0.00 1.68 0.00 0.00 54.58 54.28 3kdf n ASN 68 Cb 0.00 -0.02 -0.04 0.00 -1.54 0.00 0.00 39.78 38.18 3kdf n ASN 68 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3kdf s VAL 69 N -1.97 4.53 0.18 2.41 1.01 -0.82 -5.01 120.40 120.74 3kdf s VAL 69 Ca 0.37 0.91 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 3kdf s VAL 69 Cb 0.20 -4.38 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 3kdf s VAL 69 CO 0.32 -0.70 1.19 -0.70 0.00 0.00 0.00 175.10 175.21 3kdf s GLU 70 N 3.60 4.50 -0.00 2.72 2.12 -1.26 -0.47 118.70 129.91 3kdf s GLU 70 Ca 0.37 1.85 -0.07 0.00 0.36 0.00 0.00 54.97 57.48 3kdf s GLU 70 Cb -0.11 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.03 3kdf s GLU 70 CO 0.23 -0.07 0.14 0.96 -0.54 0.00 0.00 175.26 175.98 3kdf s ILE 71 N -0.03 0.08 0.16 -3.70 -5.25 -0.60 -4.93 121.20 106.92 3kdf s ILE 71 Ca 0.53 -0.64 0.00 0.00 -0.99 0.00 0.00 60.65 59.55 3kdf s ILE 71 Cb -0.32 -0.42 0.00 0.00 2.95 0.00 0.00 42.46 44.67 3kdf s ILE 71 CO 0.36 -0.35 0.00 -1.54 -1.79 0.00 0.00 174.94 171.62 3kdf n SER 72 N 1.56 -0.20 -4.69 4.36 3.41 -1.26 -4.22 113.62 112.58 3kdf n SER 72 Ca -0.22 0.27 -0.40 0.00 -0.26 0.00 0.00 58.87 58.25 3kdf n SER 72 Cb 0.56 0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 64.78 3kdf n SER 72 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3kdf s GLN 73 N -1.50 4.36 0.12 4.33 0.74 -1.26 -2.50 119.66 123.94 3kdf s GLN 73 Ca 0.00 0.92 -0.00 0.00 0.05 0.00 0.00 55.36 56.33 3kdf s GLN 73 Cb 0.00 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 3kdf s GLN 73 CO 0.00 -0.13 0.02 0.14 -0.55 0.00 0.00 175.29 174.77 3kdf s VAL 74 N 1.45 0.30 0.06 1.34 -7.23 -0.51 -1.74 120.40 114.07 3kdf s VAL 74 Ca 0.37 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.70 3kdf s VAL 74 Cb -0.17 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3kdf s VAL 74 CO 0.16 -0.61 -0.18 0.28 -0.31 0.00 0.00 175.10 174.43 3kdf s THR 75 N -3.90 1.47 0.09 5.32 -1.32 -0.76 -1.96 115.64 114.58 3kdf s THR 75 Ca 0.19 -1.27 0.01 0.00 -1.21 0.00 0.00 61.69 59.42 3kdf s THR 75 Cb 0.07 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.70 3kdf s THR 75 CO -0.01 0.02 -0.04 0.27 -2.21 0.00 0.00 174.62 172.65 3kdf s ILE 76 N -0.98 0.53 -0.08 5.08 -4.36 -0.42 -0.85 121.20 120.12 3kdf s ILE 76 Ca 0.04 -1.90 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 3kdf s ILE 76 Cb -0.09 -1.71 0.02 0.00 1.25 0.00 0.00 42.46 41.93 3kdf s ILE 76 CO 0.02 -0.84 -0.12 -0.69 0.24 0.00 0.00 174.94 173.56 3kdf s VAL 77 N -3.73 1.13 0.29 8.37 1.01 -1.26 -0.66 120.40 125.55 3kdf s VAL 77 Ca 0.13 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3kdf s VAL 77 Cb 0.06 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.41 3kdf s VAL 77 CO -0.05 0.36 0.75 -0.83 0.00 0.00 0.00 175.10 175.33 3kdf s GLY 78 N 0.88 -0.02 -0.14 4.51 0.00 -0.79 -4.54 107.32 107.23 3kdf s GLY 78 Ca -0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 44.72 44.19 3kdf s GLY 78 CO 0.01 -0.10 0.07 -1.50 0.00 0.00 0.00 173.10 171.58 3kdf s ILE 79 N -3.60 4.88 -0.26 0.90 2.07 -0.54 -0.42 121.20 124.23 3kdf s ILE 79 Ca 0.12 -0.02 -0.29 0.00 -1.41 0.00 0.00 60.65 59.05 3kdf s ILE 79 Cb -0.06 -3.14 -0.01 0.00 0.13 0.00 0.00 42.46 39.38 3kdf s ILE 79 CO 0.08 0.54 1.36 -0.63 -1.91 0.00 0.00 174.94 174.38 3kdf s ILE 80 N -0.36 4.07 -0.15 2.00 -1.09 -0.51 -1.58 121.20 123.57 3kdf s ILE 80 Ca 0.09 1.22 -0.12 0.00 -2.23 0.00 0.00 60.65 59.61 3kdf s ILE 80 Cb -0.12 -4.03 -0.23 0.00 -1.58 0.00 0.00 42.46 36.50 3kdf s ILE 80 CO 0.02 -0.38 0.30 0.54 -1.23 0.00 0.00 174.94 174.19 3kdf n ARG 81 N 7.27 0.69 -3.78 2.79 5.12 -0.27 0.12 116.66 128.60 3kdf n ARG 81 Ca 0.15 0.38 -0.14 0.00 -1.93 0.00 0.00 57.85 56.31 3kdf n ARG 81 Cb 0.46 -1.72 -0.15 0.00 -1.16 0.00 0.00 32.46 29.89 3kdf n ARG 81 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3kdf s HIS 82 N -2.49 -0.03 -0.16 -1.55 2.46 -1.23 -4.71 115.29 107.58 3kdf s HIS 82 Ca -0.25 0.22 -0.00 0.00 0.47 0.00 0.00 55.06 55.50 3kdf s HIS 82 Cb 0.06 -0.16 -0.00 0.00 -0.13 0.00 0.00 32.58 32.35 3kdf s HIS 82 CO 0.70 -0.10 -0.14 0.00 -2.47 0.00 0.00 174.74 172.73 3kdf s ALA 83 N 0.95 2.54 -0.67 1.58 0.00 -1.26 -1.17 121.76 123.73 3kdf s ALA 83 Ca -0.08 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.88 3kdf s ALA 83 Cb -0.11 -1.26 0.16 0.00 0.00 0.00 0.00 23.12 21.91 3kdf s ALA 83 CO -0.03 -0.03 0.46 -2.00 0.00 0.00 0.00 175.76 174.15 3kdf s GLU 84 N 0.81 2.43 -0.76 0.00 2.12 -0.42 -5.01 118.70 117.88 3kdf s GLU 84 Ca -0.05 -3.09 -0.26 0.00 0.36 0.00 0.00 54.97 51.93 3kdf s GLU 84 Cb -0.15 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.78 3kdf s GLU 84 CO 0.00 -1.23 1.45 0.21 -0.54 0.00 0.00 175.26 175.16 3kdf s LYS 85 N -1.03 3.09 0.43 4.30 2.20 -1.26 -2.70 119.74 124.77 3kdf s LYS 85 Ca 0.22 -0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.60 3kdf s LYS 85 Cb -0.12 -4.42 -0.04 0.00 -1.51 0.00 0.00 37.83 31.74 3kdf s LYS 85 CO -0.11 -2.34 0.73 0.00 -0.36 0.00 0.00 175.35 173.28 3kdf s ALA 86 N 6.54 3.45 0.49 3.13 0.00 0.80 -4.97 121.76 131.20 3kdf s ALA 86 Ca 0.45 -0.51 0.21 0.00 0.00 0.00 0.00 51.96 52.11 3kdf s ALA 86 Cb -0.08 -2.52 1.25 0.00 0.00 0.00 0.00 23.12 21.77 3kdf s ALA 86 CO 0.12 -0.19 1.98 -1.35 0.00 0.00 0.00 175.76 176.32 3kdf h PRO 87 N 0.62 0.16 0.00 0.00 0.11 -2.02 -2.70 132.00 128.19 3kdf h PRO 87 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kdf h PRO 87 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3kdf h PRO 87 CO 0.62 0.11 -1.12 2.41 -0.21 0.00 0.00 178.00 179.81 3kdf n THR 88 N -4.42 0.00 -3.71 -1.15 -1.04 -1.26 -4.90 114.28 97.79 3kdf n THR 88 Ca 0.11 -0.18 -0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3kdf n THR 88 Cb 0.54 0.73 -0.00 0.00 -1.82 0.00 0.00 70.33 69.78 3kdf n THR 88 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3kdf s ASN 89 N -3.08 -0.09 -0.08 8.00 2.20 -1.02 -1.98 114.94 118.90 3kdf s ASN 89 Ca 0.03 -0.28 -0.02 0.00 -0.94 0.00 0.00 52.86 51.65 3kdf s ASN 89 Cb 0.13 0.30 -0.03 0.00 -2.00 0.00 0.00 41.25 39.65 3kdf s ASN 89 CO 0.73 -0.57 0.01 -0.63 -2.94 0.00 0.00 177.10 173.70 3kdf s ILE 90 N -2.67 4.36 -0.04 0.54 1.01 -0.80 -0.14 121.20 123.46 3kdf s ILE 90 Ca 0.15 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3kdf s ILE 90 Cb 0.02 -2.85 0.01 0.00 0.01 0.00 0.00 42.46 39.64 3kdf s ILE 90 CO -0.01 0.58 -0.10 -0.69 0.00 0.00 0.00 174.94 174.72 3kdf s VAL 91 N -0.92 0.93 0.05 2.92 1.01 -1.10 -2.32 120.40 120.98 3kdf s VAL 91 Ca 0.14 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.78 3kdf s VAL 91 Cb -0.11 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3kdf s VAL 91 CO 0.03 0.29 -0.19 -0.31 0.00 0.00 0.00 175.10 174.93 3kdf s TYR 92 N 0.34 2.53 -0.38 5.22 2.02 0.39 -1.31 117.35 126.17 3kdf s TYR 92 Ca -0.07 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.24 3kdf s TYR 92 Cb -0.11 -1.44 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 3kdf s TYR 92 CO 0.01 0.26 0.24 0.15 -1.57 0.00 0.00 175.55 174.64 3kdf s LYS 93 N -1.51 3.00 -0.15 -0.62 -0.14 -0.32 -1.11 119.74 118.90 3kdf s LYS 93 Ca 0.15 -0.97 -0.02 0.00 -1.36 0.00 0.00 55.97 53.76 3kdf s LYS 93 Cb -0.10 -3.80 -0.02 0.00 -1.68 0.00 0.00 37.83 32.22 3kdf s LYS 93 CO 0.06 -0.66 -0.08 0.42 -0.76 0.00 0.00 175.35 174.33 3kdf s ILE 94 N 1.62 3.49 -0.21 2.17 1.01 -1.26 -1.11 121.20 126.90 3kdf s ILE 94 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3kdf s ILE 94 Cb -0.19 -2.50 0.02 0.00 0.01 0.00 0.00 42.46 39.80 3kdf s ILE 94 CO 0.08 0.51 -0.13 -0.62 0.00 0.00 0.00 174.94 174.77 3kdf s ASP 95 N 0.39 3.76 -0.05 3.58 2.15 -0.62 -4.43 116.67 121.46 3kdf s ASP 95 Ca -0.07 -0.78 -0.09 0.00 0.43 0.00 0.00 52.55 52.04 3kdf s ASP 95 Cb -0.15 -1.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.87 3kdf s ASP 95 CO 0.04 -0.06 -0.17 -0.90 -0.17 0.00 0.00 175.17 173.91 3kdf n ASP 96 N 4.63 1.28 0.00 -0.34 5.68 -1.26 -1.46 116.55 125.08 3kdf n ASP 96 Ca -0.18 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 3kdf n ASP 96 Cb 0.48 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3kdf n ASP 96 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3kdf n THR 98 N -3.75 0.00 -3.69 2.12 -2.24 -1.26 -5.00 114.28 100.46 3kdf n THR 98 Ca -0.07 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3kdf n THR 98 Cb 0.25 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3kdf n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kdf n ALA 99 N 0.00 -0.72 -1.12 6.98 0.00 -1.26 -4.42 120.51 119.98 3kdf n ALA 99 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 3kdf n ALA 99 Cb 0.00 0.09 0.12 0.00 0.00 0.00 0.00 19.45 19.66 3kdf n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kdf s ALA 100 N -1.24 1.92 0.91 0.00 0.00 -1.26 -5.01 121.76 117.07 3kdf s ALA 100 Ca 0.06 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3kdf s ALA 100 Cb -0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3kdf s ALA 100 CO 0.01 -2.16 0.00 -2.30 0.00 0.00 0.00 175.76 171.30 3kdf n PRO 101 N -3.33 1.30 -4.07 0.00 -0.02 -1.26 -4.89 135.00 122.72 3kdf n PRO 101 Ca 0.12 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.27 3kdf n PRO 101 Cb 0.51 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.84 3kdf n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kdf s ASP 103 N -2.09 3.41 -0.18 2.55 1.01 -1.26 -4.82 116.67 115.28 3kdf s ASP 103 Ca 0.00 -0.63 0.01 0.00 0.71 0.00 0.00 52.55 52.64 3kdf s ASP 103 Cb 0.00 -1.53 0.03 0.00 1.01 0.00 0.00 42.92 42.43 3kdf s ASP 103 CO 0.00 -0.01 -0.13 -0.69 0.21 0.00 0.00 175.17 174.54 3kdf s VAL 104 N 1.32 1.73 -0.05 -1.27 1.01 -0.27 -1.26 120.40 121.60 3kdf s VAL 104 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kdf s VAL 104 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3kdf s VAL 104 CO -0.11 0.33 -0.16 0.00 0.00 0.00 0.00 175.10 175.15 3kdf s ARG 105 N 1.39 2.55 -0.04 2.72 1.70 -0.26 -0.46 118.95 126.54 3kdf s ARG 105 Ca 0.02 -0.74 0.06 0.00 -0.47 0.00 0.00 55.73 54.59 3kdf s ARG 105 Cb -0.15 -2.34 -0.01 0.00 -0.57 0.00 0.00 34.95 31.88 3kdf s ARG 105 CO -0.10 0.55 -0.22 -0.65 -1.08 0.00 0.00 175.30 173.81 3kdf s GLN 106 N -0.56 2.14 -0.11 3.89 -0.21 -0.98 -2.53 119.66 121.30 3kdf s GLN 106 Ca 0.08 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 54.48 3kdf s GLN 106 Cb -0.11 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 3kdf s GLN 106 CO 0.01 0.35 0.54 -1.58 -2.12 0.00 0.00 175.29 172.49 3kdf s TRP 107 N -0.16 3.51 0.06 0.91 0.52 -1.26 -1.91 118.94 120.61 3kdf s TRP 107 Ca -0.01 0.97 0.00 0.00 0.02 0.00 0.00 56.10 57.08 3kdf s TRP 107 Cb -0.12 -2.63 0.00 0.00 -1.15 0.00 0.00 33.47 29.57 3kdf s TRP 107 CO 0.02 0.12 0.03 1.55 0.02 0.00 0.00 176.95 178.69 3kdf n VAL 108 N 3.80 0.00 0.00 4.03 3.14 -0.84 -4.97 118.33 123.50 3kdf n VAL 108 Ca -0.05 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 3kdf n VAL 108 Cb 0.51 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 3kdf n VAL 108 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3kdf n THR 118 N -0.52 0.00 -1.92 1.55 -2.24 -1.26 -4.90 114.28 104.99 3kdf n THR 118 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3kdf n THR 118 Cb 0.07 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 3kdf n THR 118 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kdf s VAL 119 N 0.00 2.55 0.09 2.28 0.11 -1.26 -4.96 120.40 119.22 3kdf s VAL 119 Ca 0.00 0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 59.16 3kdf s VAL 119 Cb 0.00 -3.26 -0.06 0.00 -1.53 0.00 0.00 36.38 31.53 3kdf s VAL 119 CO 0.00 0.04 1.14 -0.69 -3.33 0.00 0.00 175.10 172.26 3kdf s VAL 120 N 0.89 4.08 0.55 2.04 1.01 -1.26 -5.01 120.40 122.70 3kdf s VAL 120 Ca 0.68 1.57 -0.20 0.00 0.00 0.00 0.00 61.98 64.04 3kdf s VAL 120 Cb -0.44 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 3kdf s VAL 120 CO 0.34 0.17 1.20 -2.84 0.00 0.00 0.00 175.10 173.97 3kdf s PRO 121 N 0.62 3.26 0.77 2.72 0.02 -1.26 -4.81 135.00 136.31 3kdf s PRO 121 Ca 0.55 1.81 -0.13 0.00 0.02 0.00 0.00 61.00 63.25 3kdf s PRO 121 Cb -0.28 -2.09 0.06 0.00 0.02 0.00 0.00 34.50 32.21 3kdf s PRO 121 CO 0.31 -0.97 1.15 -2.14 -0.33 0.00 0.00 177.00 175.01 3kdf s PRO 122 N -3.13 2.03 -0.60 5.54 0.02 -1.26 -3.14 135.00 134.45 3kdf s PRO 122 Ca 0.73 1.51 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3kdf s PRO 122 Cb -0.29 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3kdf s PRO 122 CO 0.33 -1.87 0.00 0.39 -0.33 0.00 0.00 177.00 175.53 3kdf n GLU 123 N -3.19 -0.41 -3.78 5.54 -0.58 0.32 -4.96 120.64 113.58 3kdf n GLU 123 Ca 0.11 0.69 -0.36 0.00 -0.42 0.00 0.00 57.16 57.18 3kdf n GLU 123 Cb 0.52 -4.42 -0.12 0.00 -0.57 0.00 0.00 31.44 26.85 3kdf n GLU 123 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3kdf s THR 124 N -2.20 4.60 0.07 2.62 2.01 -1.19 -4.86 115.64 116.70 3kdf s THR 124 Ca 0.00 -0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.62 3kdf s THR 124 Cb 0.00 -3.15 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 3kdf s THR 124 CO 0.00 0.35 1.30 -0.31 -0.69 0.00 0.00 174.62 175.26 3kdf s TYR 125 N 1.39 3.29 0.10 4.92 1.51 -1.26 -1.43 117.35 125.88 3kdf s TYR 125 Ca 0.06 1.11 0.04 0.00 -1.01 0.00 0.00 57.07 57.27 3kdf s TYR 125 Cb -0.15 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.12 3kdf s TYR 125 CO 0.05 -1.84 -0.11 0.14 -1.11 0.00 0.00 175.55 172.68 3kdf s VAL 126 N 1.25 1.02 -0.14 0.71 -7.23 0.43 -0.93 120.40 115.51 3kdf s VAL 126 Ca 0.61 -1.65 -0.08 0.00 -1.81 0.00 0.00 61.98 59.05 3kdf s VAL 126 Cb -0.32 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 3kdf s VAL 126 CO 0.29 -0.53 0.13 -0.75 -0.31 0.00 0.00 175.10 173.93 3kdf s LYS 127 N -2.76 3.65 -0.07 4.82 2.20 -1.26 -1.88 119.74 124.44 3kdf s LYS 127 Ca 0.06 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 3kdf s LYS 127 Cb -0.03 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3kdf s LYS 127 CO 0.01 0.63 -0.20 0.08 -0.36 0.00 0.00 175.35 175.51 3kdf s VAL 128 N -0.61 1.68 -0.05 4.02 1.01 0.16 -4.09 120.40 122.52 3kdf s VAL 128 Ca 0.13 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3kdf s VAL 128 Cb -0.12 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 3kdf s VAL 128 CO 0.02 0.48 -0.18 0.00 0.00 0.00 0.00 175.10 175.42 3kdf s ALA 129 N 0.28 1.59 0.00 5.51 0.00 -0.65 -1.30 121.76 127.19 3kdf s ALA 129 Ca -0.12 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3kdf s ALA 129 Cb -0.15 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3kdf s ALA 129 CO 0.05 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3kdf n GLY 130 N 3.15 -0.66 3.14 0.00 0.00 -0.83 -1.31 105.19 108.68 3kdf n GLY 130 Ca -0.18 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 3kdf n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kdf s HIS 131 N -3.42 1.40 -0.03 1.61 3.76 0.10 -1.42 115.29 117.29 3kdf s HIS 131 Ca 0.00 -0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 3kdf s HIS 131 Cb 0.00 -0.89 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 3kdf s HIS 131 CO 0.00 -0.01 1.27 -1.17 -0.85 0.00 0.00 174.74 173.97 3kdf s LEU 132 N -0.46 4.30 0.05 0.89 2.96 -1.04 -1.62 118.68 123.74 3kdf s LEU 132 Ca 0.06 1.93 0.09 0.00 -0.22 0.00 0.00 54.13 55.98 3kdf s LEU 132 Cb -0.06 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 3kdf s LEU 132 CO -0.00 -0.62 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.03 3kdf s ARG 133 N 2.19 1.65 0.00 1.98 0.52 0.24 -4.96 118.95 120.57 3kdf s ARG 133 Ca 0.59 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3kdf s ARG 133 Cb -0.27 -1.82 -0.01 0.00 0.52 0.00 0.00 34.95 33.37 3kdf s ARG 133 CO 0.24 0.47 -0.11 0.45 0.02 0.00 0.00 175.30 176.36 3kdf s SER 134 N -1.26 1.35 -0.18 0.23 0.15 -1.26 -0.46 113.70 112.27 3kdf s SER 134 Ca 0.10 -0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 3kdf s SER 134 Cb -0.10 -0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.17 3kdf s SER 134 CO 0.02 0.10 0.26 0.12 1.20 0.00 0.00 173.24 174.93 3kdf s PHE 135 N -0.44 -0.41 -1.30 3.44 5.36 -0.72 -4.85 117.98 119.07 3kdf s PHE 135 Ca 0.03 0.61 -0.04 0.00 -0.96 0.00 0.00 56.93 56.57 3kdf s PHE 135 Cb -0.05 -0.18 0.01 0.00 -0.34 0.00 0.00 43.02 42.46 3kdf s PHE 135 CO -0.00 -0.51 0.99 1.04 -1.46 0.00 0.00 175.22 175.28 3kdf n GLN 136 N 5.34 -6.55 -1.06 10.12 6.02 -1.26 -2.12 117.38 127.88 3kdf n GLN 136 Ca -0.05 0.77 -0.05 0.00 -0.01 0.00 0.00 57.00 57.66 3kdf n GLN 136 Cb 0.50 -5.70 -0.02 0.00 1.02 0.00 0.00 30.24 26.04 3kdf n GLN 136 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3kdf n ASN 137 N -3.06 -5.31 -4.59 1.08 4.13 -1.26 -4.93 115.26 101.32 3kdf n ASN 137 Ca -0.18 0.11 -0.40 0.00 1.68 0.00 0.00 54.58 55.80 3kdf n ASN 137 Cb 0.63 -3.51 -0.09 0.00 -1.54 0.00 0.00 39.78 35.27 3kdf n ASN 137 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3kdf s LYS 138 N -2.24 3.91 0.33 3.52 2.20 -0.90 -5.07 119.74 121.49 3kdf s LYS 138 Ca 0.00 -0.05 -0.19 0.00 -0.36 0.00 0.00 55.97 55.37 3kdf s LYS 138 Cb 0.00 -3.69 -0.09 0.00 -1.51 0.00 0.00 37.83 32.53 3kdf s LYS 138 CO 0.00 -0.35 0.82 0.15 -0.36 0.00 0.00 175.35 175.61 3kdf s LYS 139 N 2.09 4.21 0.26 4.03 3.01 -1.26 -1.75 119.74 130.33 3kdf s LYS 139 Ca 0.15 0.93 -0.17 0.00 -1.01 0.00 0.00 55.97 55.87 3kdf s LYS 139 Cb -0.16 -2.53 0.01 0.00 -1.01 0.00 0.00 37.83 34.14 3kdf s LYS 139 CO 0.10 0.18 0.60 -1.54 0.51 0.00 0.00 175.35 175.21 3kdf s SER 140 N -2.00 -0.17 -0.16 2.83 1.04 0.39 -4.68 113.70 110.95 3kdf s SER 140 Ca 0.53 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 56.19 3kdf s SER 140 Cb -0.13 0.66 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3kdf s SER 140 CO 0.18 -1.25 -0.20 -0.22 0.98 0.00 0.00 173.24 172.74 3kdf s LEU 141 N -2.97 2.05 -0.34 2.42 2.96 -0.39 -0.59 118.68 121.81 3kdf s LEU 141 Ca 0.17 -0.60 -0.18 0.00 -0.22 0.00 0.00 54.13 53.30 3kdf s LEU 141 Cb -0.03 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3kdf s LEU 141 CO 0.08 0.02 0.48 -0.69 -1.32 0.00 0.00 176.35 174.93 3kdf s VAL 142 N 1.12 5.05 -0.15 1.68 1.01 -0.64 -1.10 120.40 127.37 3kdf s VAL 142 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 3kdf s VAL 142 Cb -0.14 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 3kdf s VAL 142 CO -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 175.10 174.84 3kdf s ALA 143 N 2.32 3.16 -0.77 5.51 0.00 -1.05 0.01 121.76 130.94 3kdf s ALA 143 Ca 0.17 -0.80 0.23 0.00 0.00 0.00 0.00 51.96 51.57 3kdf s ALA 143 Cb -0.16 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.36 3kdf s ALA 143 CO 0.13 0.28 1.03 1.97 0.00 0.00 0.00 175.76 179.17 3kdf n PHE 144 N 3.26 0.12 -3.77 0.00 1.16 -0.43 -4.67 117.46 113.13 3kdf n PHE 144 Ca -0.17 0.03 -0.14 0.00 -1.87 0.00 0.00 57.45 55.30 3kdf n PHE 144 Cb 0.53 -0.27 -0.15 0.00 -1.61 0.00 0.00 39.48 37.97 3kdf n PHE 144 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 3kdf s LYS 145 N -3.12 0.02 0.07 3.97 2.20 -1.03 -5.02 119.74 116.83 3kdf s LYS 145 Ca 0.06 0.24 0.01 0.00 -0.36 0.00 0.00 55.97 55.92 3kdf s LYS 145 Cb 0.15 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 3kdf s LYS 145 CO 0.81 -0.15 -0.05 0.42 -0.36 0.00 0.00 175.35 176.02 3kdf s ILE 146 N 0.99 0.48 0.02 5.43 1.01 -1.26 -1.64 121.20 126.22 3kdf s ILE 146 Ca -0.08 -1.72 0.08 0.00 0.00 0.00 0.00 60.65 58.93 3kdf s ILE 146 Cb -0.11 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 3kdf s ILE 146 CO -0.04 -0.83 -0.24 -2.84 0.00 0.00 0.00 174.94 170.99 3kdf s PRO 148 N -3.43 2.00 0.10 2.79 0.02 -1.26 -4.94 135.00 130.27 3kdf s PRO 148 Ca 0.06 -1.00 -0.29 0.00 0.02 0.00 0.00 61.00 59.78 3kdf s PRO 148 Cb 0.03 -2.07 -0.06 0.00 0.02 0.00 0.00 34.50 32.43 3kdf s PRO 148 CO -0.06 0.54 0.94 -0.51 -0.33 0.00 0.00 177.00 177.59 3kdf s LEU 149 N -1.05 4.49 -0.16 -5.54 1.43 -0.11 -4.81 118.68 112.94 3kdf s LEU 149 Ca 0.12 1.76 0.10 0.00 -1.03 0.00 0.00 54.13 55.08 3kdf s LEU 149 Cb -0.10 -3.55 -0.23 0.00 0.03 0.00 0.00 46.19 42.34 3kdf s LEU 149 CO 0.02 -0.06 0.22 -0.62 0.23 0.00 0.00 176.35 176.13 3kdf n GLU 150 N 2.81 0.68 -2.47 1.70 -0.58 -1.26 -4.94 120.64 116.58 3kdf n GLU 150 Ca 0.02 0.14 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 3kdf n GLU 150 Cb 0.49 -1.62 -0.00 0.00 -0.57 0.00 0.00 31.44 29.74 3kdf n GLU 150 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3kdf n ASP 151 N -3.03 1.79 0.00 1.62 2.03 -1.26 -5.10 116.55 112.60 3kdf n ASP 151 Ca -0.31 -1.72 0.00 0.00 0.52 0.00 0.00 54.79 53.28 3kdf n ASP 151 Cb 1.08 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.49 3kdf n ASP 151 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3kdf n ASN 153 N -1.81 0.00 0.23 1.67 3.02 -1.26 -4.20 115.26 112.91 3kdf n ASN 153 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.63 3kdf n ASN 153 Cb 0.23 -0.13 0.55 0.00 -0.61 0.00 0.00 39.78 39.82 3kdf n ASN 153 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3kdf h GLU 154 N 0.00 0.00 -0.17 3.52 4.81 -1.99 -0.58 114.58 120.17 3kdf h GLU 154 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3kdf h GLU 154 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kdf h GLU 154 CO 0.00 0.21 -0.36 0.35 -0.73 0.00 0.00 179.01 178.48 3kdf h PHE 155 N 0.00 0.70 -0.66 0.92 3.57 -2.01 -1.96 116.94 117.49 3kdf h PHE 155 Ca -0.00 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.21 3kdf h PHE 155 Cb 0.60 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3kdf h PHE 155 CO 0.00 0.99 0.31 1.15 -2.23 0.00 0.00 178.31 178.53 3kdf h THR 156 N 0.20 1.23 -0.95 4.41 2.02 -1.83 -2.55 112.91 115.45 3kdf h THR 156 Ca 0.00 -0.66 0.03 0.00 0.77 0.00 0.00 66.41 66.55 3kdf h THR 156 Cb 0.96 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 3kdf h THR 156 CO 0.08 0.27 0.62 0.74 0.37 0.00 0.00 175.52 177.60 3kdf h THR 157 N 0.92 1.19 -0.86 3.16 2.02 -1.11 -2.26 112.91 115.98 3kdf h THR 157 Ca 0.23 -0.42 0.02 0.00 0.77 0.00 0.00 66.41 67.01 3kdf h THR 157 Cb 0.14 -0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 3kdf h THR 157 CO -0.03 0.22 0.57 -0.74 0.37 0.00 0.00 175.52 175.92 3kdf h HIS 158 N 1.22 1.07 0.04 3.16 6.17 -0.92 0.04 115.15 125.93 3kdf h HIS 158 Ca 0.37 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.48 3kdf h HIS 158 Cb -0.05 -0.36 -0.01 0.00 2.52 0.00 0.00 27.41 29.52 3kdf h HIS 158 CO -0.01 0.65 -0.05 0.82 0.71 0.00 0.00 177.93 180.06 3kdf h ILE 159 N 1.13 0.88 -0.96 6.26 2.04 -1.30 0.31 117.51 125.88 3kdf h ILE 159 Ca 0.33 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.22 3kdf h ILE 159 Cb -0.07 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 3kdf h ILE 159 CO -0.08 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.63 3kdf h LEU 160 N -0.11 1.06 -0.68 1.44 3.38 -1.23 -2.36 115.31 116.81 3kdf h LEU 160 Ca 0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3kdf h LEU 160 Cb 0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kdf h LEU 160 CO -0.02 0.74 -0.01 -0.33 0.09 0.00 0.00 178.44 178.91 3kdf h GLU 161 N 1.23 1.01 0.33 1.13 5.08 -0.51 -1.39 114.58 121.46 3kdf h GLU 161 Ca 0.37 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3kdf h GLU 161 Cb -0.03 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3kdf h GLU 161 CO -0.11 1.00 -0.19 0.28 -1.00 0.00 0.00 179.01 178.99 3kdf h VAL 162 N 0.92 0.60 -0.52 3.13 2.07 -0.52 -0.41 116.25 121.52 3kdf h VAL 162 Ca 0.16 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 3kdf h VAL 162 Cb 0.55 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3kdf h VAL 162 CO 0.03 0.00 0.04 0.40 0.02 0.00 0.00 177.57 178.06 3kdf h ILE 163 N -0.50 1.24 -0.13 4.57 2.04 -1.34 -1.57 117.51 121.83 3kdf h ILE 163 Ca -0.04 -0.99 -0.12 0.00 1.00 0.00 0.00 64.86 64.71 3kdf h ILE 163 Cb 0.40 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3kdf h ILE 163 CO 0.05 0.35 -0.40 -1.13 0.00 0.00 0.00 178.15 177.02 3kdf h ASN 164 N 0.80 0.57 -0.29 1.72 -0.73 -1.17 -3.23 115.58 113.25 3kdf h ASN 164 Ca 0.16 -0.60 0.02 0.00 1.87 0.00 0.00 56.30 57.75 3kdf h ASN 164 Cb 0.43 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 3kdf h ASN 164 CO 0.02 1.07 0.14 0.00 -0.37 0.00 0.00 177.43 178.29 3kdf h ALA 165 N 0.51 0.35 0.00 1.57 0.00 -0.93 -2.23 119.26 118.53 3kdf h ALA 165 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kdf h ALA 165 Cb 1.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3kdf h ALA 165 CO 0.08 -0.24 0.00 0.72 0.00 0.00 0.00 179.25 179.81 3kdf n HIS 166 N -4.96 0.00 0.00 0.00 8.25 -0.60 -0.90 115.22 117.01 3kdf n HIS 166 Ca -0.01 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3kdf n HIS 166 Cb 0.07 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3kdf n HIS 166 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3kdf n VAL 168 N 1.23 0.00 0.02 1.59 3.14 -0.84 -1.13 118.33 122.34 3kdf n VAL 168 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 3kdf n VAL 168 Cb 0.20 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.85 3kdf n VAL 168 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3kdf h LEU 169 N 0.00 0.00 -2.83 6.55 3.38 -1.27 -3.33 115.31 117.81 3kdf h LEU 169 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kdf h LEU 169 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kdf h LEU 169 CO 0.00 0.98 0.00 0.77 0.09 0.00 0.00 178.44 180.28 3kdf h SER 170 N 0.00 0.00 0.00 -0.43 4.64 -1.35 -3.45 113.55 112.96 3kdf h SER 170 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3kdf h SER 170 Cb 1.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.97 3kdf h SER 170 CO 0.10 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.35