#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 4.05 -0.25 3.57 2.07 -1.26 -4.58 121.20 124.80 3kdf s ILE 46 Ca 0.00 -0.42 -0.14 0.00 -1.41 0.00 0.00 60.65 58.68 3kdf s ILE 46 Cb 0.00 -2.97 -0.04 0.00 0.13 0.00 0.00 42.46 39.58 3kdf s ILE 46 CO 0.00 0.25 0.33 -0.69 -1.91 0.00 0.00 174.94 172.92 3kdf s VAL 47 N 1.55 5.22 0.14 4.00 1.01 -0.81 -4.86 120.40 126.65 3kdf s VAL 47 Ca 0.05 0.52 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 3kdf s VAL 47 Cb -0.16 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 3kdf s VAL 47 CO 0.02 0.22 1.33 -2.16 0.00 0.00 0.00 175.10 174.51 3kdf s PRO 48 N 1.67 4.36 0.13 2.72 0.04 -1.26 -1.94 135.00 140.72 3kdf s PRO 48 Ca 0.14 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.21 3kdf s PRO 48 Cb -0.15 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 3kdf s PRO 48 CO 0.09 -0.34 -0.01 0.00 0.04 0.00 0.00 177.00 176.78 3kdf s THR 50 N -3.73 5.10 0.24 0.00 -4.23 -1.26 -4.46 115.64 107.29 3kdf s THR 50 Ca 0.19 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.31 3kdf s THR 50 Cb 0.06 -3.81 0.21 0.00 1.34 0.00 0.00 72.50 70.30 3kdf s THR 50 CO -0.00 -0.45 1.87 0.40 -0.54 0.00 0.00 174.62 175.90 3kdf h ILE 51 N 1.00 1.11 -0.94 2.99 2.04 -1.94 -1.82 117.51 119.95 3kdf h ILE 51 Ca -0.49 -0.36 0.15 0.00 1.00 0.00 0.00 64.86 65.16 3kdf h ILE 51 Cb 1.21 -0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 3kdf h ILE 51 CO 0.63 0.19 0.60 0.77 0.00 0.00 0.00 178.15 180.35 3kdf h SER 52 N 1.06 0.72 -0.19 1.72 4.64 -1.93 -1.12 113.55 118.45 3kdf h SER 52 Ca 0.36 0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.56 3kdf h SER 52 Cb 0.05 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3kdf h SER 52 CO -0.13 0.34 -0.49 1.56 -0.87 0.00 0.00 176.83 177.24 3kdf h GLN 53 N 0.75 0.76 -0.53 4.77 4.20 -1.74 -2.64 115.11 120.67 3kdf h GLN 53 Ca 0.49 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 3kdf h GLN 53 Cb 0.75 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 3kdf h GLN 53 CO -0.25 1.07 0.16 -0.07 -0.67 0.00 0.00 178.83 179.08 3kdf h LEU 54 N 0.60 0.77 -1.90 1.46 3.38 -0.82 -2.41 115.31 116.38 3kdf h LEU 54 Ca 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3kdf h LEU 54 Cb 1.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3kdf h LEU 54 CO 0.10 0.77 -0.09 -0.07 0.09 0.00 0.00 178.44 179.25 3kdf h LEU 55 N 0.73 0.00 -0.40 1.67 3.38 -1.17 -2.35 115.31 117.17 3kdf h LEU 55 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3kdf h LEU 55 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kdf h LEU 55 CO -0.01 0.09 0.00 0.28 0.09 0.00 0.00 178.44 178.90 3kdf h SER 56 N 0.00 0.00 -3.89 -0.43 0.02 -1.06 -3.46 113.55 104.72 3kdf h SER 56 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3kdf h SER 56 Cb 0.18 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.79 3kdf h SER 56 CO 0.01 0.00 0.67 0.00 -1.14 0.00 0.00 176.83 176.37 3kdf s ALA 57 N -3.25 3.51 0.12 3.77 0.00 -0.89 -4.92 121.76 120.10 3kdf s ALA 57 Ca 0.07 1.33 -0.09 0.00 0.00 0.00 0.00 51.96 53.27 3kdf s ALA 57 Cb 0.10 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 3kdf s ALA 57 CO 0.53 -0.73 0.42 0.95 0.00 0.00 0.00 175.76 176.94 3kdf s THR 58 N -1.14 5.07 -0.31 0.00 -4.23 -0.29 -4.87 115.64 109.88 3kdf s THR 58 Ca 0.50 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 61.41 3kdf s THR 58 Cb -0.41 -3.64 0.07 0.00 1.34 0.00 0.00 72.50 69.86 3kdf s THR 58 CO 0.55 0.18 -0.01 -0.22 -0.54 0.00 0.00 174.62 174.59 3kdf s LEU 59 N -2.19 4.09 -0.21 4.79 2.96 -1.26 -0.80 118.68 126.05 3kdf s LEU 59 Ca 0.37 -1.64 -0.00 0.00 -0.22 0.00 0.00 54.13 52.64 3kdf s LEU 59 Cb -0.13 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.97 3kdf s LEU 59 CO 0.20 -0.29 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.20 3kdf s VAL 60 N 1.09 1.30 -1.00 1.68 1.01 -0.44 -4.85 120.40 119.18 3kdf s VAL 60 Ca -0.01 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 3kdf s VAL 60 Cb -0.20 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3kdf s VAL 60 CO -0.05 -0.05 0.86 0.47 0.00 0.00 0.00 175.10 176.33 3kdf n ASP 61 N 4.77 -6.66 -0.54 3.32 8.00 -1.26 -2.84 116.55 121.34 3kdf n ASP 61 Ca -0.12 -0.65 -0.07 0.00 0.71 0.00 0.00 54.79 54.67 3kdf n ASP 61 Cb 0.45 -4.94 -0.03 0.00 -0.02 0.00 0.00 41.12 36.58 3kdf n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kdf n GLU 62 N -3.10 -1.37 -4.30 -1.24 -0.58 -1.26 -4.96 120.64 103.83 3kdf n GLU 62 Ca -0.06 0.69 -0.25 0.00 -0.42 0.00 0.00 57.16 57.11 3kdf n GLU 62 Cb 0.60 -4.86 -0.17 0.00 -0.57 0.00 0.00 31.44 26.44 3kdf n GLU 62 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3kdf s VAL 63 N -1.83 1.10 0.03 2.62 1.01 -1.13 -5.13 120.40 117.08 3kdf s VAL 63 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 3kdf s VAL 63 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 3kdf s VAL 63 CO 0.00 0.36 0.52 -0.36 0.00 0.00 0.00 175.10 175.62 3kdf s PHE 64 N 1.09 3.76 0.01 5.22 0.40 -1.26 -1.33 117.98 125.87 3kdf s PHE 64 Ca -0.07 1.16 0.02 0.00 -0.60 0.00 0.00 56.93 57.44 3kdf s PHE 64 Cb -0.14 -2.44 -0.01 0.00 0.51 0.00 0.00 43.02 40.93 3kdf s PHE 64 CO -0.01 0.57 -0.06 1.03 0.70 0.00 0.00 175.22 177.44 3kdf s ARG 65 N -0.93 0.44 -0.53 0.44 0.52 0.02 -1.29 118.95 117.62 3kdf s ARG 65 Ca 0.27 -0.38 -0.04 0.00 -0.52 0.00 0.00 55.73 55.06 3kdf s ARG 65 Cb -0.18 -0.35 0.14 0.00 0.52 0.00 0.00 34.95 35.08 3kdf s ARG 65 CO 0.17 0.09 0.34 0.42 0.02 0.00 0.00 175.30 176.33 3kdf s ILE 66 N -0.57 3.62 0.00 1.52 1.01 -0.87 -1.14 121.20 124.77 3kdf s ILE 66 Ca -0.02 -2.48 0.00 0.00 0.00 0.00 0.00 60.65 58.15 3kdf s ILE 66 Cb -0.05 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3kdf s ILE 66 CO -0.00 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.75 3kdf n GLY 67 N 4.07 1.13 0.00 6.18 0.00 -1.26 -3.43 105.19 111.89 3kdf n GLY 67 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 2.30 1.63 -4.53 1.61 4.13 -1.26 -5.00 115.26 114.14 3kdf n ASN 68 Ca 0.00 -1.81 -0.41 0.00 1.68 0.00 0.00 54.58 54.04 3kdf n ASN 68 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 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 -0.81 5.21 0.20 2.41 1.01 -1.22 -5.05 120.40 122.15 3kdf s VAL 69 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 61.98 61.58 3kdf s VAL 69 Cb 0.00 -3.80 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 3kdf s VAL 69 CO 0.00 -0.08 1.61 -0.62 0.00 0.00 0.00 175.10 176.00 3kdf n GLU 70 N 5.29 2.40 -4.54 2.72 1.02 -1.26 -2.05 120.64 124.22 3kdf n GLU 70 Ca -0.10 0.86 -0.22 0.00 -0.02 0.00 0.00 57.16 57.68 3kdf n GLU 70 Cb 0.49 -2.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.13 3kdf n GLU 70 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kdf s ILE 71 N 0.77 1.16 0.26 -3.67 -4.36 -0.41 -4.91 121.20 110.04 3kdf s ILE 71 Ca 0.75 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 60.33 3kdf s ILE 71 Cb -0.60 -1.01 0.00 0.00 1.25 0.00 0.00 42.46 42.10 3kdf s ILE 71 CO 0.39 0.19 0.00 -0.24 0.24 0.00 0.00 174.94 175.51 3kdf n SER 72 N 2.33 -0.09 -4.69 4.36 2.88 -1.26 -4.31 113.62 112.84 3kdf n SER 72 Ca -0.16 0.45 -0.40 0.00 -1.33 0.00 0.00 58.87 57.43 3kdf n SER 72 Cb 0.55 0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 64.31 3kdf n SER 72 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3kdf s GLN 73 N -2.00 4.35 0.13 -1.46 0.74 -1.26 -1.98 119.66 118.18 3kdf s GLN 73 Ca 0.00 0.86 -0.05 0.00 0.05 0.00 0.00 55.36 56.23 3kdf s GLN 73 Cb 0.00 -3.51 -0.02 0.00 1.10 0.00 0.00 33.01 30.57 3kdf s GLN 73 CO 0.00 -0.12 0.14 0.14 -0.55 0.00 0.00 175.29 174.90 3kdf s VAL 74 N 1.43 0.11 0.03 1.34 -7.23 -0.08 -1.93 120.40 114.08 3kdf s VAL 74 Ca 0.36 -1.64 0.08 0.00 -1.81 0.00 0.00 61.98 58.97 3kdf s VAL 74 Cb -0.17 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 3kdf s VAL 74 CO 0.15 -0.50 -0.23 0.42 -0.31 0.00 0.00 175.10 174.63 3kdf s THR 75 N -3.98 1.86 0.17 5.32 -4.23 -0.82 -1.69 115.64 112.27 3kdf s THR 75 Ca 0.17 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.49 3kdf s THR 75 Cb 0.06 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 3kdf s THR 75 CO -0.02 0.32 -0.07 0.27 -0.54 0.00 0.00 174.62 174.58 3kdf s ILE 76 N -0.75 1.05 -0.05 2.99 -4.36 -0.69 -0.78 121.20 118.61 3kdf s ILE 76 Ca 0.09 -2.04 0.02 0.00 -0.26 0.00 0.00 60.65 58.46 3kdf s ILE 76 Cb -0.09 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.65 3kdf s ILE 76 CO 0.01 -0.63 -0.09 -0.69 0.24 0.00 0.00 174.94 173.78 3kdf s VAL 77 N -3.41 0.88 0.18 8.37 1.01 -1.26 -0.40 120.40 125.77 3kdf s VAL 77 Ca 0.20 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.62 3kdf s VAL 77 Cb 0.04 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.67 3kdf s VAL 77 CO 0.02 0.29 1.02 -0.83 0.00 0.00 0.00 175.10 175.61 3kdf s GLY 78 N 0.68 0.07 -0.11 4.51 0.00 -0.70 -4.57 107.32 107.19 3kdf s GLY 78 Ca -0.12 -0.27 -0.05 0.00 0.00 0.00 0.00 44.72 44.28 3kdf s GLY 78 CO 0.02 1.99 0.07 -1.50 0.00 0.00 0.00 173.10 173.67 3kdf s ILE 79 N -2.33 4.88 -0.12 0.90 2.07 -0.27 -0.97 121.20 125.37 3kdf s ILE 79 Ca 0.20 -0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 59.12 3kdf s ILE 79 Cb -0.02 -3.10 -0.02 0.00 0.13 0.00 0.00 42.46 39.44 3kdf s ILE 79 CO 0.05 0.59 1.29 -0.63 -1.91 0.00 0.00 174.94 174.33 3kdf s ILE 80 N -0.80 4.18 -0.22 2.00 1.01 -0.39 -1.07 121.20 125.91 3kdf s ILE 80 Ca 0.13 1.45 0.22 0.00 0.00 0.00 0.00 60.65 62.45 3kdf s ILE 80 Cb -0.12 -3.94 -0.29 0.00 0.01 0.00 0.00 42.46 38.12 3kdf s ILE 80 CO 0.03 -0.09 0.60 0.54 0.00 0.00 0.00 174.94 176.02 3kdf n ARG 81 N 6.23 0.54 -3.57 2.79 5.12 0.43 0.13 116.66 128.33 3kdf n ARG 81 Ca 0.13 -0.14 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 3kdf n ARG 81 Cb 0.45 -1.54 -0.06 0.00 -1.16 0.00 0.00 32.46 30.15 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 -3.42 -0.52 -0.10 -1.55 2.46 -1.23 -4.89 115.29 106.04 3kdf s HIS 82 Ca -0.05 0.99 -0.03 0.00 0.47 0.00 0.00 55.06 56.44 3kdf s HIS 82 Cb 0.14 0.41 0.04 0.00 -0.13 0.00 0.00 32.58 33.04 3kdf s HIS 82 CO 0.89 -0.42 0.06 0.00 -2.47 0.00 0.00 174.74 172.80 3kdf s ALA 83 N -0.83 0.40 -0.30 1.58 0.00 -1.26 -1.38 121.76 119.97 3kdf s ALA 83 Ca -0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 3kdf s ALA 83 Cb -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 3kdf s ALA 83 CO 0.03 -0.79 0.12 -1.83 0.00 0.00 0.00 175.76 173.29 3kdf s GLU 84 N 2.12 3.35 -0.01 0.00 -1.05 -0.57 -5.00 118.70 117.54 3kdf s GLU 84 Ca 0.03 -0.70 -0.20 0.00 -0.15 0.00 0.00 54.97 53.96 3kdf s GLU 84 Cb -0.14 -3.48 -0.05 0.00 -0.44 0.00 0.00 34.13 30.02 3kdf s GLU 84 CO -0.06 -0.38 0.57 0.21 0.95 0.00 0.00 175.26 176.55 3kdf s LYS 85 N 1.59 4.28 0.27 -4.83 2.47 -1.26 -2.17 119.74 120.09 3kdf s LYS 85 Ca 0.04 0.68 0.04 0.00 -1.56 0.00 0.00 55.97 55.18 3kdf s LYS 85 Cb -0.17 -3.33 -0.06 0.00 -1.46 0.00 0.00 37.83 32.81 3kdf s LYS 85 CO 0.05 0.39 0.01 0.00 0.16 0.00 0.00 175.35 175.96 3kdf s ALA 86 N -0.24 2.08 0.22 3.13 0.00 -0.28 -5.03 121.76 121.63 3kdf s ALA 86 Ca 0.30 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 3kdf s ALA 86 Cb -0.18 0.50 0.25 0.00 0.00 0.00 0.00 23.12 23.69 3kdf s ALA 86 CO 0.16 -0.24 1.82 -1.35 0.00 0.00 0.00 175.76 176.16 3kdf h PRO 87 N 2.33 0.76 0.00 0.00 0.11 -2.03 -3.16 132.00 130.00 3kdf h PRO 87 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kdf h PRO 87 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kdf h PRO 87 CO 0.66 0.50 -1.37 0.25 -0.21 0.00 0.00 178.00 177.84 3kdf n THR 88 N -4.73 0.02 -3.62 -1.15 -2.24 -1.26 -4.85 114.28 96.46 3kdf n THR 88 Ca 0.09 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 3kdf n THR 88 Cb 0.15 0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 3kdf n THR 88 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3kdf s ASN 89 N -3.69 -0.36 -0.07 3.42 2.20 -1.20 0.85 114.94 116.09 3kdf s ASN 89 Ca 0.02 -0.30 0.05 0.00 -0.94 0.00 0.00 52.86 51.69 3kdf s ASN 89 Cb 0.15 0.58 -0.01 0.00 -2.00 0.00 0.00 41.25 39.97 3kdf s ASN 89 CO 0.87 -1.02 -0.23 -0.63 -2.94 0.00 0.00 177.10 173.16 3kdf s ILE 90 N -3.82 2.24 -0.29 0.54 1.01 -0.04 -1.13 121.20 119.70 3kdf s ILE 90 Ca 0.05 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 3kdf s ILE 90 Cb -0.01 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.62 3kdf s ILE 90 CO -0.07 0.57 0.11 -0.69 0.00 0.00 0.00 174.94 174.85 3kdf s VAL 91 N -0.10 4.29 -0.01 2.92 1.01 -0.92 -0.60 120.40 126.99 3kdf s VAL 91 Ca -0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3kdf s VAL 91 Cb -0.14 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3kdf s VAL 91 CO 0.04 0.11 0.24 -0.31 0.00 0.00 0.00 175.10 175.19 3kdf s TYR 92 N 1.57 3.58 -0.33 5.22 2.02 0.10 -1.51 117.35 128.00 3kdf s TYR 92 Ca 0.04 0.55 -0.14 0.00 -0.37 0.00 0.00 57.07 57.16 3kdf s TYR 92 Cb -0.17 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 3kdf s TYR 92 CO 0.04 0.64 0.31 0.15 -1.57 0.00 0.00 175.55 175.11 3kdf s LYS 93 N -1.65 3.59 -0.11 -0.62 1.02 -0.48 -0.64 119.74 120.84 3kdf s LYS 93 Ca 0.26 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 55.79 3kdf s LYS 93 Cb -0.13 -3.79 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 3kdf s LYS 93 CO 0.15 -0.46 -0.16 0.42 -0.92 0.00 0.00 175.35 174.38 3kdf s ILE 94 N 1.89 2.81 -0.19 2.17 1.01 -1.26 -0.43 121.20 127.20 3kdf s ILE 94 Ca 0.09 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 60.00 3kdf s ILE 94 Cb -0.17 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.18 3kdf s ILE 94 CO 0.11 0.54 -0.18 -0.62 0.00 0.00 0.00 174.94 174.79 3kdf s ASP 95 N 0.20 3.32 -0.04 3.58 2.15 -0.23 -4.37 116.67 121.28 3kdf s ASP 95 Ca -0.10 -0.72 -0.08 0.00 0.43 0.00 0.00 52.55 52.08 3kdf s ASP 95 Cb -0.16 -1.50 -0.03 0.00 -0.30 0.00 0.00 42.92 40.94 3kdf s ASP 95 CO 0.06 -0.02 -0.16 -0.90 -0.17 0.00 0.00 175.17 173.97 3kdf n ASP 96 N 4.61 1.41 0.00 -0.34 5.75 -1.26 -1.11 116.55 125.61 3kdf n ASP 96 Ca -0.20 0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 3kdf n ASP 96 Cb 0.49 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 3kdf n ASP 96 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3kdf n THR 98 N -3.87 0.00 -3.26 2.12 -2.24 -1.26 -4.99 114.28 100.79 3kdf n THR 98 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3kdf n THR 98 Cb 0.24 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 0.00 -1.20 6.98 0.00 -1.26 -4.56 120.51 120.47 3kdf n ALA 99 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3kdf n ALA 99 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.00 1.94 1.00 0.00 0.00 -1.26 -5.01 121.76 117.43 3kdf s ALA 100 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3kdf s ALA 100 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3kdf s ALA 100 CO 0.00 -2.15 0.00 -2.30 0.00 0.00 0.00 175.76 171.31 3kdf n PRO 101 N -3.10 1.38 -4.95 0.00 -0.02 -1.26 -4.88 135.00 122.16 3kdf n PRO 101 Ca 0.13 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 3kdf n PRO 101 Cb 0.50 0.00 -0.15 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 -1.94 3.76 -0.15 2.55 1.01 -1.26 -4.81 116.67 115.83 3kdf s ASP 103 Ca 0.00 -0.33 -0.01 0.00 0.71 0.00 0.00 52.55 52.92 3kdf s ASP 103 Cb 0.00 -1.16 0.04 0.00 1.01 0.00 0.00 42.92 42.81 3kdf s ASP 103 CO 0.00 0.25 -0.04 -0.69 0.21 0.00 0.00 175.17 174.89 3kdf s VAL 104 N -0.14 0.96 -0.14 -1.27 1.01 0.19 -1.08 120.40 119.93 3kdf s VAL 104 Ca -0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3kdf s VAL 104 Cb -0.14 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.06 3kdf s VAL 104 CO 0.04 0.16 0.28 -0.60 0.00 0.00 0.00 175.10 174.97 3kdf s ARG 105 N 1.70 4.09 -0.10 2.72 3.52 0.26 -0.72 118.95 130.43 3kdf s ARG 105 Ca 0.02 0.08 0.04 0.00 -0.13 0.00 0.00 55.73 55.74 3kdf s ARG 105 Cb -0.15 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3kdf s ARG 105 CO -0.08 0.38 -0.23 -1.14 -0.81 0.00 0.00 175.30 173.42 3kdf s GLN 106 N 0.04 3.06 -0.09 5.12 0.74 0.23 -0.32 119.66 128.44 3kdf s GLN 106 Ca 0.17 -0.86 -0.24 0.00 0.05 0.00 0.00 55.36 54.48 3kdf s GLN 106 Cb -0.13 -2.32 -0.03 0.00 1.10 0.00 0.00 33.01 31.62 3kdf s GLN 106 CO 0.05 0.19 0.72 -1.58 -0.55 0.00 0.00 175.29 174.12 3kdf s TRP 107 N 0.32 3.55 0.00 1.67 0.52 -1.26 -0.86 118.94 122.87 3kdf s TRP 107 Ca -0.18 1.24 0.00 0.00 0.02 0.00 0.00 56.10 57.18 3kdf s TRP 107 Cb -0.18 -2.84 0.00 0.00 -1.15 0.00 0.00 33.47 29.31 3kdf s TRP 107 CO 0.09 0.03 0.00 0.28 0.02 0.00 0.00 176.95 177.36 3kdf n VAL 108 N 3.96 0.00 -0.06 4.03 0.31 0.25 -4.95 118.33 121.87 3kdf n VAL 108 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3kdf n VAL 108 Cb 0.51 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 3kdf n VAL 108 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 3kdf n THR 118 N -0.45 0.00 -2.09 2.52 5.66 -1.26 -4.99 114.28 113.68 3kdf n THR 118 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 3kdf n THR 118 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3kdf n THR 118 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3kdf s VAL 119 N -2.29 3.00 0.06 1.08 0.11 -1.26 -4.98 120.40 116.12 3kdf s VAL 119 Ca 0.00 0.75 -0.31 0.00 -2.93 0.00 0.00 61.98 59.50 3kdf s VAL 119 Cb 0.00 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 31.30 3kdf s VAL 119 CO 0.00 0.08 1.33 -0.69 -3.33 0.00 0.00 175.10 172.49 3kdf s VAL 120 N 0.72 3.66 0.42 2.04 1.01 -1.26 -4.99 120.40 122.00 3kdf s VAL 120 Ca 0.63 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 3kdf s VAL 120 Cb -0.39 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 32.16 3kdf s VAL 120 CO 0.34 0.06 1.34 -2.84 0.00 0.00 0.00 175.10 174.01 3kdf s PRO 121 N 1.48 3.87 0.82 2.72 0.02 -1.26 -4.90 135.00 137.74 3kdf s PRO 121 Ca 0.62 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.75 3kdf s PRO 121 Cb -0.33 -2.72 0.05 0.00 0.02 0.00 0.00 34.50 31.52 3kdf s PRO 121 CO 0.29 -0.61 0.90 -2.30 -0.33 0.00 0.00 177.00 174.95 3kdf n PRO 122 N 0.01 0.10 -1.14 5.54 -0.02 -1.26 -2.92 135.00 135.30 3kdf n PRO 122 Ca 0.04 0.10 -0.05 0.00 -2.02 0.00 0.00 63.50 61.57 3kdf n PRO 122 Cb 0.43 -2.19 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3kdf n PRO 122 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kdf n GLU 123 N -2.44 -0.40 -4.22 -0.52 -0.58 0.12 -4.97 120.64 107.63 3kdf n GLU 123 Ca 0.11 0.63 -0.34 0.00 -0.42 0.00 0.00 57.16 57.14 3kdf n GLU 123 Cb 0.51 -4.33 -0.10 0.00 -0.57 0.00 0.00 31.44 26.94 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 -2.15 4.41 0.06 2.62 2.01 -1.15 -4.87 115.64 116.56 3kdf s THR 124 Ca 0.00 -0.18 -0.30 0.00 0.31 0.00 0.00 61.69 61.52 3kdf s THR 124 Cb 0.00 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.53 3kdf s THR 124 CO 0.00 0.51 1.01 -0.31 -0.69 0.00 0.00 174.62 175.14 3kdf s TYR 125 N -0.00 3.68 0.10 4.92 1.51 -1.26 -1.26 117.35 125.04 3kdf s TYR 125 Ca 0.04 1.68 0.03 0.00 -1.01 0.00 0.00 57.07 57.81 3kdf s TYR 125 Cb -0.13 -3.14 -0.04 0.00 -0.11 0.00 0.00 41.96 38.54 3kdf s TYR 125 CO 0.02 -0.12 -0.09 0.14 -1.11 0.00 0.00 175.55 174.38 3kdf s VAL 126 N 0.58 0.90 -0.13 0.71 -7.23 -0.14 -1.60 120.40 113.48 3kdf s VAL 126 Ca 0.51 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.93 3kdf s VAL 126 Cb -0.23 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 3kdf s VAL 126 CO 0.29 -0.62 0.07 -0.75 -0.31 0.00 0.00 175.10 173.79 3kdf s LYS 127 N -2.98 3.48 -0.11 4.82 2.20 -1.26 -1.73 119.74 124.17 3kdf s LYS 127 Ca 0.07 -0.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 3kdf s LYS 127 Cb -0.01 -3.08 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 3kdf s LYS 127 CO -0.01 0.59 -0.19 0.08 -0.36 0.00 0.00 175.35 175.46 3kdf s VAL 128 N -0.52 2.50 -0.15 4.02 1.01 0.46 -4.30 120.40 123.42 3kdf s VAL 128 Ca 0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 3kdf s VAL 128 Cb -0.12 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3kdf s VAL 128 CO 0.02 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.58 3kdf s ALA 129 N 0.25 2.74 0.00 5.51 0.00 -0.12 -1.70 121.76 128.45 3kdf s ALA 129 Ca -0.13 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 3kdf s ALA 129 Cb -0.16 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3kdf s ALA 129 CO 0.07 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.36 3kdf n GLY 130 N 3.76 1.21 3.35 0.00 0.00 -0.68 -0.45 105.19 112.37 3kdf n GLY 130 Ca -0.18 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 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 -5.58 2.40 0.24 1.61 3.76 -0.33 -0.90 115.29 116.49 3kdf s HIS 131 Ca 0.00 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 3kdf s HIS 131 Cb -0.00 -1.51 -0.09 0.00 1.11 0.00 0.00 32.58 32.09 3kdf s HIS 131 CO 0.00 0.02 1.10 -1.17 -0.85 0.00 0.00 174.74 173.84 3kdf s LEU 132 N -0.70 4.53 0.09 0.89 2.96 -0.84 -1.82 118.68 123.80 3kdf s LEU 132 Ca 0.11 2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 56.20 3kdf s LEU 132 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 3kdf s LEU 132 CO -0.00 -0.17 0.01 -0.13 -1.32 0.00 0.00 176.35 174.74 3kdf s ARG 133 N -1.01 0.79 0.00 1.98 1.81 -0.33 -4.94 118.95 117.25 3kdf s ARG 133 Ca 0.46 -1.34 -0.09 0.00 -1.72 0.00 0.00 55.73 53.05 3kdf s ARG 133 Cb -0.31 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.39 3kdf s ARG 133 CO 0.38 -0.18 0.17 0.45 -0.68 0.00 0.00 175.30 175.44 3kdf s SER 134 N -2.99 -0.00 -0.21 0.23 0.15 -1.26 -1.52 113.70 108.09 3kdf s SER 134 Ca 0.16 -0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.55 3kdf s SER 134 Cb 0.08 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.70 3kdf s SER 134 CO -0.04 -0.40 0.46 0.12 1.20 0.00 0.00 173.24 174.59 3kdf s PHE 135 N -1.46 -0.87 -1.47 3.44 5.36 -0.86 -4.88 117.98 117.24 3kdf s PHE 135 Ca -0.14 1.65 -0.11 0.00 -0.96 0.00 0.00 56.93 57.36 3kdf s PHE 135 Cb -0.07 0.39 0.06 0.00 -0.34 0.00 0.00 43.02 43.06 3kdf s PHE 135 CO 0.02 -0.50 1.01 1.04 -1.46 0.00 0.00 175.22 175.33 3kdf n GLN 136 N 5.25 -6.07 -1.14 10.12 1.13 -1.26 -1.83 117.38 123.57 3kdf n GLN 136 Ca -0.11 0.66 -0.05 0.00 -1.94 0.00 0.00 57.00 55.56 3kdf n GLN 136 Cb 0.50 -5.56 -0.02 0.00 0.11 0.00 0.00 30.24 25.27 3kdf n GLN 136 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3kdf n ASN 137 N -2.90 -5.09 -4.46 1.08 4.13 -1.26 -4.98 115.26 101.78 3kdf n ASN 137 Ca 0.00 0.12 -0.38 0.00 1.68 0.00 0.00 54.58 56.00 3kdf n ASN 137 Cb 0.55 -3.02 -0.12 0.00 -1.54 0.00 0.00 39.78 35.65 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 -2.05 3.45 0.42 3.52 2.20 -0.76 -5.09 119.74 121.43 3kdf s LYS 138 Ca 0.00 -0.64 -0.22 0.00 -0.36 0.00 0.00 55.97 54.75 3kdf s LYS 138 Cb 0.00 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 3kdf s LYS 138 CO 0.00 -0.36 0.98 0.15 -0.36 0.00 0.00 175.35 175.76 3kdf s LYS 139 N 1.64 4.20 0.32 4.03 1.02 -1.26 -2.03 119.74 127.65 3kdf s LYS 139 Ca 0.05 1.26 -0.16 0.00 0.02 0.00 0.00 55.97 57.14 3kdf s LYS 139 Cb -0.17 -2.32 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 3kdf s LYS 139 CO 0.07 -0.07 0.68 -1.54 -0.92 0.00 0.00 175.35 173.57 3kdf s SER 140 N -1.95 -0.02 0.08 2.83 1.04 -0.57 -4.63 113.70 110.47 3kdf s SER 140 Ca 0.60 -0.94 0.06 0.00 0.48 0.00 0.00 55.95 56.16 3kdf s SER 140 Cb -0.14 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3kdf s SER 140 CO 0.18 -1.43 -0.09 -0.76 0.98 0.00 0.00 173.24 172.12 3kdf s LEU 141 N -3.02 3.09 -0.27 2.42 1.02 -0.24 -1.18 118.68 120.50 3kdf s LEU 141 Ca 0.16 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.96 3kdf s LEU 141 Cb -0.04 -1.85 0.02 0.00 0.02 0.00 0.00 46.19 44.33 3kdf s LEU 141 CO 0.10 0.21 -0.00 -0.69 0.02 0.00 0.00 176.35 175.98 3kdf s VAL 142 N -1.16 3.31 -0.04 -1.59 1.01 -0.76 -0.57 120.40 120.60 3kdf s VAL 142 Ca 0.21 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 3kdf s VAL 142 Cb -0.11 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 3kdf s VAL 142 CO 0.12 0.15 0.52 0.00 0.00 0.00 0.00 175.10 175.89 3kdf s ALA 143 N 1.39 3.52 -0.47 5.51 0.00 0.56 -1.19 121.76 131.09 3kdf s ALA 143 Ca 0.01 -0.09 0.22 0.00 0.00 0.00 0.00 51.96 52.10 3kdf s ALA 143 Cb -0.17 -2.64 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 3kdf s ALA 143 CO -0.02 0.17 0.88 1.97 0.00 0.00 0.00 175.76 178.77 3kdf n PHE 144 N 2.86 0.26 -3.84 0.00 1.16 0.40 -4.44 117.46 113.86 3kdf n PHE 144 Ca -0.08 0.07 -0.15 0.00 -1.87 0.00 0.00 57.45 55.42 3kdf n PHE 144 Cb 0.51 -0.47 -0.16 0.00 -1.61 0.00 0.00 39.48 37.76 3kdf n PHE 144 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3kdf s LYS 145 N -3.27 0.08 0.28 3.97 1.02 -0.85 -4.99 119.74 115.97 3kdf s LYS 145 Ca 0.01 0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.19 3kdf s LYS 145 Cb 0.14 -0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.09 3kdf s LYS 145 CO 0.83 -0.14 -0.05 0.42 -0.92 0.00 0.00 175.35 175.49 3kdf s ILE 146 N 0.93 1.60 -0.02 2.17 1.01 -1.26 -0.94 121.20 124.69 3kdf s ILE 146 Ca -0.08 -2.12 0.04 0.00 0.00 0.00 0.00 60.65 58.49 3kdf s ILE 146 Cb -0.12 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 3kdf s ILE 146 CO -0.02 -0.30 -0.14 -2.84 0.00 0.00 0.00 174.94 171.64 3kdf s PRO 148 N -3.74 1.18 -0.05 2.79 0.02 -1.26 -4.96 135.00 128.97 3kdf s PRO 148 Ca 0.29 -0.49 -0.29 0.00 0.02 0.00 0.00 61.00 60.54 3kdf s PRO 148 Cb 0.04 -1.12 -0.02 0.00 0.02 0.00 0.00 34.50 33.42 3kdf s PRO 148 CO 0.12 0.27 0.96 -0.51 -0.33 0.00 0.00 177.00 177.51 3kdf s LEU 149 N -0.22 4.31 -0.01 -5.54 1.43 -0.63 -4.84 118.68 113.18 3kdf s LEU 149 Ca 0.03 1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 54.56 3kdf s LEU 149 Cb -0.06 -3.51 -0.33 0.00 0.03 0.00 0.00 46.19 42.32 3kdf s LEU 149 CO -0.00 -0.32 0.84 -0.08 0.23 0.00 0.00 176.35 177.01 3kdf h GLU 150 N 6.93 0.45 0.00 1.70 4.81 -2.04 -3.48 114.58 122.95 3kdf h GLU 150 Ca -0.37 -0.77 0.00 0.00 -0.13 0.00 0.00 59.36 58.09 3kdf h GLU 150 Cb 1.19 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.86 3kdf h GLU 150 CO 0.79 1.36 0.00 -3.47 -0.73 0.00 0.00 179.01 176.97 3kdf n ASP 151 N -3.64 0.91 0.00 1.04 2.03 -1.26 -5.09 116.55 110.54 3kdf n ASP 151 Ca -0.20 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.16 3kdf n ASP 151 Cb 1.09 0.00 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 -1.98 0.00 0.06 1.67 3.02 -1.26 -4.22 115.26 112.55 3kdf n ASN 153 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3kdf n ASN 153 Cb 0.00 -0.06 0.32 0.00 -0.61 0.00 0.00 39.78 39.42 3kdf n ASN 153 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3kdf h GLU 154 N 0.00 0.38 -0.15 3.52 5.08 -1.98 -1.21 114.58 120.21 3kdf h GLU 154 Ca 0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3kdf h GLU 154 Cb 0.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kdf h GLU 154 CO 0.00 0.50 0.03 0.35 -1.00 0.00 0.00 179.01 178.90 3kdf h PHE 155 N 0.36 0.26 -0.22 4.33 3.57 -2.01 -1.21 116.94 122.03 3kdf h PHE 155 Ca 0.07 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kdf h PHE 155 Cb 0.42 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3kdf h PHE 155 CO 0.01 0.40 0.13 1.15 -2.23 0.00 0.00 178.31 177.77 3kdf h THR 156 N 0.05 1.03 -0.95 4.41 2.02 -1.88 -2.48 112.91 115.10 3kdf h THR 156 Ca 0.05 -0.09 0.13 0.00 0.77 0.00 0.00 66.41 67.27 3kdf h THR 156 Cb 0.28 0.74 -0.09 0.00 -1.74 0.00 0.00 68.15 67.34 3kdf h THR 156 CO 0.00 0.05 0.57 0.74 0.37 0.00 0.00 175.52 177.25 3kdf h THR 157 N 0.27 0.84 -1.01 3.16 2.02 -1.17 -1.82 112.91 115.21 3kdf h THR 157 Ca 0.08 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3kdf h THR 157 Cb -0.01 -0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.27 3kdf h THR 157 CO -0.04 0.16 0.67 -0.74 0.37 0.00 0.00 175.52 175.94 3kdf h HIS 158 N 0.85 1.26 -0.39 3.16 6.17 -0.75 0.28 115.15 125.74 3kdf h HIS 158 Ca 0.49 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.67 3kdf h HIS 158 Cb 0.58 -0.43 -0.06 0.00 2.52 0.00 0.00 27.41 30.03 3kdf h HIS 158 CO -0.03 0.79 0.05 0.82 0.71 0.00 0.00 177.93 180.28 3kdf h ILE 159 N 1.36 0.77 -0.46 6.26 2.04 -1.15 0.21 117.51 126.54 3kdf h ILE 159 Ca 0.37 -0.06 -0.11 0.00 1.00 0.00 0.00 64.86 66.06 3kdf h ILE 159 Cb -0.15 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3kdf h ILE 159 CO -0.08 0.03 -0.15 -0.07 0.00 0.00 0.00 178.15 177.87 3kdf h LEU 160 N 0.17 0.88 -0.64 1.44 3.38 -1.30 -2.06 115.31 117.19 3kdf h LEU 160 Ca 0.19 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3kdf h LEU 160 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kdf h LEU 160 CO -0.27 1.03 -0.02 -0.33 0.09 0.00 0.00 178.44 178.95 3kdf h GLU 161 N 0.78 1.05 -0.11 1.13 5.08 -0.41 -1.05 114.58 121.05 3kdf h GLU 161 Ca 0.12 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3kdf h GLU 161 Cb 0.68 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3kdf h GLU 161 CO 0.05 1.03 -0.04 0.28 -1.00 0.00 0.00 179.01 179.34 3kdf h VAL 162 N 0.96 0.86 -0.33 3.13 2.07 -0.41 0.44 116.25 122.97 3kdf h VAL 162 Ca 0.17 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.65 3kdf h VAL 162 Cb 0.57 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 3kdf h VAL 162 CO 0.03 0.00 0.06 0.40 0.02 0.00 0.00 177.57 178.08 3kdf h ILE 163 N -0.02 1.23 -0.44 4.57 2.04 -1.13 -1.93 117.51 121.83 3kdf h ILE 163 Ca 0.06 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 3kdf h ILE 163 Cb 0.10 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3kdf h ILE 163 CO -0.13 0.27 0.19 -1.13 0.00 0.00 0.00 178.15 177.35 3kdf h ASN 164 N 0.38 0.60 -0.98 1.72 -0.73 -1.11 -2.98 115.58 112.48 3kdf h ASN 164 Ca 0.10 -0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.13 3kdf h ASN 164 Cb 0.34 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.72 3kdf h ASN 164 CO 0.01 0.59 0.65 0.00 -0.37 0.00 0.00 177.43 178.31 3kdf h ALA 165 N 1.03 1.26 -0.05 1.57 0.00 -0.71 -2.12 119.26 120.25 3kdf h ALA 165 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kdf h ALA 165 Cb 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kdf h ALA 165 CO -0.01 0.62 0.04 0.72 0.00 0.00 0.00 179.25 180.61 3kdf n HIS 166 N -4.41 0.14 0.00 0.00 8.25 -0.74 -1.52 115.22 116.94 3kdf n HIS 166 Ca 0.12 -0.91 0.00 0.00 -0.26 0.00 0.00 57.72 56.67 3kdf n HIS 166 Cb 0.03 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 30.68 3kdf n HIS 166 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kdf n VAL 168 N 1.06 0.00 0.19 1.59 0.31 -0.80 -1.42 118.33 119.27 3kdf n VAL 168 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.42 3kdf n VAL 168 Cb 0.52 0.00 0.37 0.00 -0.91 0.00 0.00 33.84 33.83 3kdf n VAL 168 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3kdf h LEU 169 N 0.00 0.00 -1.68 7.52 3.38 -1.54 -3.06 115.31 119.93 3kdf h LEU 169 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 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 0.35 -0.14 0.77 0.09 0.00 0.00 178.44 179.51 3kdf h SER 170 N 0.00 0.00 0.94 -0.43 4.64 -1.51 -2.61 113.55 114.58 3kdf h SER 170 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3kdf h SER 170 Cb 0.83 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 3kdf h SER 170 CO 0.05 0.14 -1.14 0.11 -0.87 0.00 0.00 176.83 175.12 3kdf h LYS 171 N 0.00 0.00 -0.01 4.77 1.57 -1.82 -3.51 116.57 117.58 3kdf h LYS 171 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kdf h LYS 171 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3kdf h LYS 171 CO 0.02 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.36