#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqa s HIS 45 N 0.00 3.42 -0.17 2.61 -3.43 -1.26 -5.05 115.29 111.40 2pqa s HIS 45 Ca 0.00 1.05 -0.02 0.00 -0.80 0.00 0.00 55.06 55.29 2pqa s HIS 45 Cb 0.00 -2.41 -0.01 0.00 -1.43 0.00 0.00 32.58 28.72 2pqa s HIS 45 CO 0.00 0.09 -0.09 0.42 -2.00 0.00 0.00 174.74 173.16 2pqa s ILE 46 N -2.05 3.22 -0.24 -5.38 1.01 -1.26 -4.61 121.20 111.89 2pqa s ILE 46 Ca 0.51 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 2pqa s ILE 46 Cb -0.10 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 2pqa s ILE 46 CO 0.23 0.48 0.10 -0.69 0.00 0.00 0.00 174.94 175.05 2pqa s VAL 47 N 0.89 4.64 0.13 2.92 1.01 -0.81 -4.86 120.40 124.32 2pqa s VAL 47 Ca -0.02 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 2pqa s VAL 47 Cb -0.15 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 2pqa s VAL 47 CO 0.00 0.34 1.26 -2.16 0.00 0.00 0.00 175.10 174.54 2pqa s PRO 48 N 1.43 4.42 0.08 2.72 0.04 -1.26 -1.60 135.00 140.82 2pqa s PRO 48 Ca 0.06 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.01 2pqa s PRO 48 Cb -0.15 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 2pqa s PRO 48 CO 0.05 -0.25 -0.02 0.00 0.04 0.00 0.00 177.00 176.82 2pqa s THR 50 N -3.89 5.25 0.54 0.00 -4.23 -1.26 -4.48 115.64 107.57 2pqa s THR 50 Ca 0.11 -0.56 0.23 0.00 -1.18 0.00 0.00 61.69 60.30 2pqa s THR 50 Cb 0.07 -3.76 0.35 0.00 1.34 0.00 0.00 72.50 70.51 2pqa s THR 50 CO -0.07 -0.18 2.07 0.40 -0.54 0.00 0.00 174.62 176.30 2pqa h ILE 51 N 1.50 0.77 -0.03 2.99 2.04 -1.95 -1.62 117.51 121.21 2pqa h ILE 51 Ca -0.49 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.21 2pqa h ILE 51 Cb 1.20 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2pqa h ILE 51 CO 0.67 0.00 -0.73 0.77 0.00 0.00 0.00 178.15 178.86 2pqa h SER 52 N 0.00 0.21 -0.13 1.72 4.64 -1.95 0.73 113.55 118.77 2pqa h SER 52 Ca 0.14 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2pqa h SER 52 Cb 0.59 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2pqa h SER 52 CO -0.00 0.87 -0.03 1.56 -0.87 0.00 0.00 176.83 178.36 2pqa h GLN 53 N 0.12 0.24 0.21 4.77 4.20 -1.74 -2.42 115.11 120.49 2pqa h GLN 53 Ca -0.02 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2pqa h GLN 53 Cb 1.29 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 2pqa h GLN 53 CO 0.11 0.53 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.59 2pqa h LEU 54 N -0.06 -0.33 -1.03 1.46 3.38 -1.06 -2.22 115.31 115.45 2pqa h LEU 54 Ca 0.03 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.29 2pqa h LEU 54 Cb 0.44 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 2pqa h LEU 54 CO 0.01 -0.22 0.60 -0.07 0.09 0.00 0.00 178.44 178.85 2pqa h LEU 55 N -0.34 0.63 -3.22 1.67 3.38 0.42 -2.24 115.31 115.62 2pqa h LEU 55 Ca -0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pqa h LEU 55 Cb 0.28 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2pqa h LEU 55 CO 0.02 0.06 0.00 -1.54 0.09 0.00 0.00 178.44 177.07 2pqa n SER 56 N -4.90 4.71 -4.77 -0.43 3.41 -0.91 -4.97 113.62 105.77 2pqa n SER 56 Ca 0.28 -2.58 -0.35 0.00 -0.26 0.00 0.00 58.87 55.96 2pqa n SER 56 Cb 0.80 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 64.19 2pqa n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pqa s ALA 57 N -2.08 2.64 0.28 7.33 0.00 -0.85 -4.88 121.76 124.20 2pqa s ALA 57 Ca 0.49 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.39 2pqa s ALA 57 Cb 0.33 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2pqa s ALA 57 CO 0.20 -0.92 0.34 0.95 0.00 0.00 0.00 175.76 176.33 2pqa s THR 58 N -1.72 4.58 -0.07 0.00 -4.23 -0.16 -4.89 115.64 109.15 2pqa s THR 58 Ca 0.74 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2pqa s THR 58 Cb -0.26 -3.56 0.02 0.00 1.34 0.00 0.00 72.50 70.04 2pqa s THR 58 CO 0.29 -0.27 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.81 2pqa s LEU 59 N -3.99 1.30 0.15 4.79 2.96 -1.26 -1.37 118.68 121.26 2pqa s LEU 59 Ca 0.37 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2pqa s LEU 59 Cb -0.08 -0.65 0.00 0.00 0.50 0.00 0.00 46.19 45.96 2pqa s LEU 59 CO 0.28 -0.06 0.00 1.33 -1.32 0.00 0.00 176.35 176.58 2pqa n VAL 60 N 4.31 0.05 0.48 1.68 0.24 -0.67 -4.93 118.33 119.49 2pqa n VAL 60 Ca -0.19 0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.24 2pqa n VAL 60 Cb 0.51 -0.58 0.15 0.00 -1.47 0.00 0.00 33.84 32.45 2pqa n VAL 60 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2pqa h ASP 61 N 0.00 0.00 -3.22 -1.34 3.58 -2.00 -3.40 116.42 110.04 2pqa h ASP 61 Ca 0.00 -0.16 -0.80 0.00 0.42 0.00 0.00 57.03 56.49 2pqa h ASP 61 Cb 0.04 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 40.81 2pqa h ASP 61 CO 0.00 0.08 0.65 -0.62 -2.88 0.00 0.00 179.24 176.47 2pqa n GLU 62 N -2.25 3.90 -3.18 0.28 1.02 -1.26 -5.15 120.64 114.00 2pqa n GLU 62 Ca 0.03 -4.45 -0.27 0.00 -0.02 0.00 0.00 57.16 52.44 2pqa n GLU 62 Cb 0.46 -2.56 -0.02 0.00 -0.02 0.00 0.00 31.44 29.30 2pqa n GLU 62 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2pqa s VAL 63 N -1.73 5.01 -0.10 2.62 0.11 -1.26 -5.06 120.40 119.99 2pqa s VAL 63 Ca 0.32 -0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.27 2pqa s VAL 63 Cb -0.04 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2pqa s VAL 63 CO -0.00 -0.50 0.20 -0.36 -3.33 0.00 0.00 175.10 171.10 2pqa s PHE 64 N -2.29 3.63 -0.04 1.54 0.40 -1.25 -1.67 117.98 118.30 2pqa s PHE 64 Ca 0.44 0.62 0.02 0.00 -0.60 0.00 0.00 56.93 57.41 2pqa s PHE 64 Cb -0.10 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.43 2pqa s PHE 64 CO 0.34 0.72 -0.07 1.03 0.70 0.00 0.00 175.22 177.94 2pqa s ARG 65 N -1.03 1.00 -0.45 0.44 0.52 -0.47 0.04 118.95 119.00 2pqa s ARG 65 Ca 0.17 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 2pqa s ARG 65 Cb -0.13 -0.93 0.08 0.00 0.52 0.00 0.00 34.95 34.49 2pqa s ARG 65 CO 0.06 0.02 0.33 0.42 0.02 0.00 0.00 175.30 176.14 2pqa s ILE 66 N 0.55 4.67 0.00 1.52 1.01 -0.42 -0.98 121.20 127.54 2pqa s ILE 66 Ca -0.08 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.29 2pqa s ILE 66 Cb -0.12 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2pqa s ILE 66 CO 0.01 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 175.00 2pqa n GLY 67 N 5.04 3.67 0.09 6.18 0.00 -1.26 -2.58 105.19 116.33 2pqa n GLY 67 Ca -0.11 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2pqa n GLY 67 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2pqa h ASN 68 N 0.00 -0.08 -2.97 1.61 -0.26 -1.97 -3.46 115.58 108.46 2pqa h ASN 68 Ca 0.00 -0.45 -0.54 0.00 -0.56 0.00 0.00 56.30 54.75 2pqa h ASN 68 Cb 0.00 0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2pqa h ASN 68 CO 0.00 0.43 0.77 0.54 -1.06 0.00 0.00 177.43 178.12 2pqa s VAL 69 N -4.00 3.63 0.37 2.81 0.11 -1.06 -4.98 120.40 117.28 2pqa s VAL 69 Ca -0.15 1.09 -0.26 0.00 -2.93 0.00 0.00 61.98 59.73 2pqa s VAL 69 Cb 0.01 -3.70 -0.09 0.00 -1.53 0.00 0.00 36.38 31.07 2pqa s VAL 69 CO 0.62 0.03 1.12 -1.83 -3.33 0.00 0.00 175.10 171.71 2pqa s GLU 70 N 1.89 4.25 -0.01 1.54 -1.05 -1.26 -1.30 118.70 122.76 2pqa s GLU 70 Ca 0.63 1.75 -0.00 0.00 -0.15 0.00 0.00 54.97 57.20 2pqa s GLU 70 Cb -0.33 -2.79 0.01 0.00 -0.44 0.00 0.00 34.13 30.59 2pqa s GLU 70 CO 0.28 -0.12 0.02 0.42 0.95 0.00 0.00 175.26 176.81 2pqa s ILE 71 N -1.41 -0.03 0.00 1.83 1.01 0.11 -4.92 121.20 117.79 2pqa s ILE 71 Ca 0.54 0.10 0.00 0.00 0.00 0.00 0.00 60.65 61.29 2pqa s ILE 71 Cb -0.29 -0.05 0.00 0.00 0.01 0.00 0.00 42.46 42.13 2pqa s ILE 71 CO 0.37 0.04 0.00 -0.24 0.00 0.00 0.00 174.94 175.11 2pqa n SER 72 N 3.60 0.00 -4.75 3.58 2.88 -1.26 -3.81 113.62 113.86 2pqa n SER 72 Ca -0.19 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.95 2pqa n SER 72 Cb 0.55 0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 64.01 2pqa n SER 72 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2pqa s GLN 73 N -0.89 4.63 -0.09 -1.46 -0.21 -1.26 -2.32 119.66 118.07 2pqa s GLN 73 Ca 0.00 1.25 -0.24 0.00 0.02 0.00 0.00 55.36 56.40 2pqa s GLN 73 Cb 0.00 -3.32 0.05 0.00 1.00 0.00 0.00 33.01 30.75 2pqa s GLN 73 CO 0.00 0.41 0.55 0.08 -2.12 0.00 0.00 175.29 174.21 2pqa s VAL 74 N -0.62 0.02 0.03 1.09 1.01 -0.76 -1.93 120.40 119.23 2pqa s VAL 74 Ca 0.40 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2pqa s VAL 74 Cb -0.23 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 2pqa s VAL 74 CO 0.27 -0.07 -0.24 0.28 0.00 0.00 0.00 175.10 175.34 2pqa s THR 75 N -0.82 1.90 0.05 3.92 -1.32 -0.63 -1.83 115.64 116.90 2pqa s THR 75 Ca -0.09 -1.22 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 2pqa s THR 75 Cb -0.03 -1.62 -0.03 0.00 -1.51 0.00 0.00 72.50 69.32 2pqa s THR 75 CO 0.06 0.35 -0.05 0.27 -2.21 0.00 0.00 174.62 173.04 2pqa s ILE 76 N -0.73 0.39 -0.13 5.08 -4.36 -0.62 -0.85 121.20 119.98 2pqa s ILE 76 Ca 0.10 -1.28 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 2pqa s ILE 76 Cb -0.09 -0.82 0.01 0.00 1.25 0.00 0.00 42.46 42.81 2pqa s ILE 76 CO 0.01 -0.59 -0.18 -0.69 0.24 0.00 0.00 174.94 173.73 2pqa s VAL 77 N -2.16 1.75 0.34 8.37 1.01 -1.26 -0.90 120.40 127.55 2pqa s VAL 77 Ca -0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2pqa s VAL 77 Cb -0.05 -1.58 0.06 0.00 0.00 0.00 0.00 36.38 34.82 2pqa s VAL 77 CO -0.02 0.49 0.85 0.61 0.00 0.00 0.00 175.10 177.03 2pqa n GLY 78 N 4.24 0.88 3.68 4.51 0.00 -0.93 -4.38 105.19 113.19 2pqa n GLY 78 Ca -0.19 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 2pqa n GLY 78 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pqa s ILE 79 N -2.09 4.48 -0.26 -0.61 2.07 0.15 -1.16 121.20 123.78 2pqa s ILE 79 Ca 0.18 -0.17 -0.29 0.00 -1.41 0.00 0.00 60.65 58.96 2pqa s ILE 79 Cb -0.04 -2.93 -0.02 0.00 0.13 0.00 0.00 42.46 39.60 2pqa s ILE 79 CO 0.10 0.57 1.57 -0.63 -1.91 0.00 0.00 174.94 174.64 2pqa s ILE 80 N -0.54 3.76 -0.08 2.00 1.01 -0.01 -1.35 121.20 125.99 2pqa s ILE 80 Ca 0.10 0.85 -0.00 0.00 0.00 0.00 0.00 60.65 61.59 2pqa s ILE 80 Cb -0.12 -3.81 -0.26 0.00 0.01 0.00 0.00 42.46 38.28 2pqa s ILE 80 CO 0.02 -0.37 0.53 0.03 0.00 0.00 0.00 174.94 175.15 2pqa h ARG 81 N 10.70 0.19 -2.95 2.79 2.47 -0.47 -3.22 114.38 123.89 2pqa h ARG 81 Ca -0.32 -0.32 -0.13 0.00 -1.26 0.00 0.00 59.98 57.95 2pqa h ARG 81 Cb 1.14 0.12 -0.22 0.00 -1.65 0.00 0.00 29.97 29.36 2pqa h ARG 81 CO 1.02 0.98 -0.29 -1.58 0.56 0.00 0.00 179.97 180.66 2pqa s HIS 82 N -2.58 -0.29 -0.15 3.04 2.46 -1.19 -4.88 115.29 111.71 2pqa s HIS 82 Ca -0.15 0.61 -0.01 0.00 0.47 0.00 0.00 55.06 55.99 2pqa s HIS 82 Cb 0.07 0.12 0.04 0.00 -0.13 0.00 0.00 32.58 32.67 2pqa s HIS 82 CO 0.80 -0.29 -0.05 0.00 -2.47 0.00 0.00 174.74 172.73 2pqa s ALA 83 N -0.55 1.35 -0.10 1.58 0.00 -1.26 -0.34 121.76 122.44 2pqa s ALA 83 Ca -0.07 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.20 2pqa s ALA 83 Cb -0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2pqa s ALA 83 CO 0.02 -0.68 -0.07 -2.00 0.00 0.00 0.00 175.76 173.03 2pqa s GLU 84 N 1.69 3.06 -0.60 0.00 2.12 0.12 -4.99 118.70 120.11 2pqa s GLU 84 Ca 0.02 -0.56 -0.24 0.00 0.36 0.00 0.00 54.97 54.55 2pqa s GLU 84 Cb -0.14 -2.68 0.05 0.00 0.26 0.00 0.00 34.13 31.62 2pqa s GLU 84 CO -0.08 0.50 0.97 0.15 -0.54 0.00 0.00 175.26 176.27 2pqa s LYS 85 N -0.36 3.25 0.73 4.30 1.02 -1.26 -1.00 119.74 126.42 2pqa s LYS 85 Ca 0.05 -0.44 -0.08 0.00 0.02 0.00 0.00 55.97 55.52 2pqa s LYS 85 Cb -0.12 -4.12 0.06 0.00 -0.52 0.00 0.00 37.83 33.13 2pqa s LYS 85 CO 0.02 -1.63 1.06 0.00 -0.92 0.00 0.00 175.35 173.88 2pqa s ALA 86 N 4.11 3.00 0.40 5.17 0.00 -0.55 -5.00 121.76 128.90 2pqa s ALA 86 Ca 0.28 -0.81 0.14 0.00 0.00 0.00 0.00 51.96 51.57 2pqa s ALA 86 Cb -0.14 -2.72 0.98 0.00 0.00 0.00 0.00 23.12 21.24 2pqa s ALA 86 CO 0.16 -1.39 1.87 -1.35 0.00 0.00 0.00 175.76 175.06 2pqa h PRO 87 N -0.72 0.50 0.00 0.00 0.11 -2.03 -3.29 132.00 126.57 2pqa h PRO 87 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2pqa h PRO 87 Cb 1.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pqa h PRO 87 CO 0.62 0.33 0.00 0.25 -0.21 0.00 0.00 178.00 178.99 2pqa n THR 88 N -4.53 0.00 -3.82 -1.15 -2.24 -1.26 -5.10 114.28 96.18 2pqa n THR 88 Ca 0.18 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.57 2pqa n THR 88 Cb 0.58 1.11 0.02 0.00 -2.10 0.00 0.00 70.33 69.93 2pqa n THR 88 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pqa s ASN 89 N -0.44 0.02 -0.14 3.42 2.20 -1.24 -4.90 114.94 113.86 2pqa s ASN 89 Ca 0.00 -1.13 -0.12 0.00 -0.94 0.00 0.00 52.86 50.68 2pqa s ASN 89 Cb 0.00 0.84 -0.05 0.00 -2.00 0.00 0.00 41.25 40.04 2pqa s ASN 89 CO 0.00 -1.66 0.24 -0.63 -2.94 0.00 0.00 177.10 172.11 2pqa s ILE 90 N -2.43 5.34 -0.23 0.54 -1.09 0.46 -1.48 121.20 122.30 2pqa s ILE 90 Ca 0.16 0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.94 2pqa s ILE 90 Cb -0.05 -3.55 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 2pqa s ILE 90 CO 0.11 0.48 0.08 -0.69 -1.23 0.00 0.00 174.94 173.69 2pqa s VAL 91 N -0.12 4.52 0.02 2.92 1.01 -0.17 -0.71 120.40 127.87 2pqa s VAL 91 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2pqa s VAL 91 Cb -0.13 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2pqa s VAL 91 CO 0.04 0.36 -0.01 -0.31 0.00 0.00 0.00 175.10 175.18 2pqa s TYR 92 N 1.31 3.02 -0.36 5.22 1.51 0.13 0.14 117.35 128.33 2pqa s TYR 92 Ca 0.05 0.04 -0.08 0.00 -1.01 0.00 0.00 57.07 56.07 2pqa s TYR 92 Cb -0.15 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.11 2pqa s TYR 92 CO 0.04 0.45 0.16 0.15 -1.11 0.00 0.00 175.55 175.23 2pqa s LYS 93 N -1.66 2.68 -0.09 -0.62 1.02 0.54 0.08 119.74 121.68 2pqa s LYS 93 Ca 0.20 -1.18 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 2pqa s LYS 93 Cb -0.11 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 2pqa s LYS 93 CO 0.11 -0.71 -0.02 0.42 -0.92 0.00 0.00 175.35 174.23 2pqa s ILE 94 N 1.45 4.08 -0.26 2.17 1.01 -0.46 0.17 121.20 129.36 2pqa s ILE 94 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 2pqa s ILE 94 Cb -0.20 -2.72 0.08 0.00 0.01 0.00 0.00 42.46 39.64 2pqa s ILE 94 CO 0.04 0.58 0.08 -0.62 0.00 0.00 0.00 174.94 175.02 2pqa s ASP 95 N -0.62 3.54 0.43 3.58 2.15 -0.46 -0.73 116.67 124.57 2pqa s ASP 95 Ca 0.10 -1.27 0.00 0.00 0.43 0.00 0.00 52.55 51.80 2pqa s ASP 95 Cb -0.12 -0.69 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 2pqa s ASP 95 CO 0.02 -0.38 0.00 -0.90 -0.17 0.00 0.00 175.17 173.75 2pqa n ASP 96 N 4.98 0.00 -0.81 -0.34 5.68 -1.26 -0.68 116.55 124.12 2pqa n ASP 96 Ca -0.05 -0.83 0.08 0.00 -0.50 0.00 0.00 54.79 53.50 2pqa n ASP 96 Cb 0.44 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.56 2pqa n ASP 96 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2pqa n MET 97 N -0.83 2.02 0.11 0.11 2.81 -1.26 -4.40 117.12 115.68 2pqa n MET 97 Ca 0.00 -1.89 0.13 0.00 -1.81 0.00 0.00 57.70 54.13 2pqa n MET 97 Cb 0.00 -1.36 0.44 0.00 -0.71 0.00 0.00 33.22 31.58 2pqa n MET 97 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2pqa n THR 98 N 1.00 0.65 -3.17 2.03 -2.24 -1.26 -4.90 114.28 106.39 2pqa n THR 98 Ca 0.13 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2pqa n THR 98 Cb 0.47 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2pqa n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pqa n ALA 99 N -1.77 0.00 -1.46 6.98 0.00 -1.26 -4.59 120.51 118.40 2pqa n ALA 99 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.17 2pqa n ALA 99 Cb 0.36 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.88 2pqa n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pqa s ALA 100 N -1.00 2.53 0.66 0.00 0.00 -1.26 -4.81 121.76 117.88 2pqa s ALA 100 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 2pqa s ALA 100 Cb 0.00 -3.22 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 2pqa s ALA 100 CO 0.00 -1.40 1.26 -2.14 0.00 0.00 0.00 175.76 173.48 2pqa s PRO 101 N -4.92 2.51 0.00 0.00 0.02 -1.26 -4.92 135.00 126.44 2pqa s PRO 101 Ca 0.60 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.60 2pqa s PRO 101 Cb -0.15 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 2pqa s PRO 101 CO 0.54 -1.60 -0.09 1.41 -0.33 0.00 0.00 177.00 176.93 2pqa s MET 102 N -3.50 2.48 0.24 5.54 1.75 0.09 -4.83 119.30 121.06 2pqa s MET 102 Ca 0.80 -0.76 -0.30 0.00 -1.25 0.00 0.00 55.69 54.18 2pqa s MET 102 Cb -0.34 -2.45 -0.10 0.00 2.84 0.00 0.00 34.83 34.79 2pqa s MET 102 CO 0.40 0.60 1.37 -0.51 -0.65 0.00 0.00 175.02 176.22 2pqa s ASP 103 N -1.35 6.77 -0.06 1.11 1.01 -1.26 -1.36 116.67 121.54 2pqa s ASP 103 Ca 0.16 2.56 0.00 0.00 0.71 0.00 0.00 52.55 55.99 2pqa s ASP 103 Cb -0.11 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.22 2pqa s ASP 103 CO 0.06 -0.60 -0.04 -0.69 0.21 0.00 0.00 175.17 174.11 2pqa s VAL 104 N -0.13 0.56 -0.18 -1.27 1.01 0.11 -1.52 120.40 118.98 2pqa s VAL 104 Ca 0.57 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2pqa s VAL 104 Cb -0.39 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2pqa s VAL 104 CO 0.43 0.25 0.14 -0.60 0.00 0.00 0.00 175.10 175.31 2pqa s ARG 105 N 1.19 4.07 0.03 2.72 3.52 -0.07 0.22 118.95 130.62 2pqa s ARG 105 Ca -0.07 -0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.37 2pqa s ARG 105 Cb -0.14 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2pqa s ARG 105 CO -0.01 0.38 -0.10 -1.14 -0.81 0.00 0.00 175.30 173.61 2pqa s GLN 106 N 0.13 0.69 -0.11 5.12 2.00 0.12 -0.70 119.66 126.91 2pqa s GLN 106 Ca 0.09 -0.62 -0.01 0.00 -2.00 0.00 0.00 55.36 52.83 2pqa s GLN 106 Cb -0.11 -0.62 -0.03 0.00 0.80 0.00 0.00 33.01 33.05 2pqa s GLN 106 CO -0.01 0.15 -0.06 -1.58 -0.50 0.00 0.00 175.29 173.30 2pqa s TRP 107 N -0.82 2.98 -0.07 1.67 0.51 -1.26 -0.41 118.94 121.53 2pqa s TRP 107 Ca -0.02 -0.14 0.01 0.00 -2.12 0.00 0.00 56.10 53.84 2pqa s TRP 107 Cb -0.07 -1.82 0.02 0.00 -0.81 0.00 0.00 33.47 30.79 2pqa s TRP 107 CO 0.01 0.16 -0.09 0.14 -0.51 0.00 0.00 176.95 176.65 2pqa s VAL 108 N -0.28 0.98 -0.54 4.03 -7.23 -1.26 -5.02 120.40 111.08 2pqa s VAL 108 Ca 0.04 -0.35 -0.28 0.00 -1.81 0.00 0.00 61.98 59.58 2pqa s VAL 108 Cb -0.13 -0.94 0.03 0.00 0.56 0.00 0.00 36.38 35.90 2pqa s VAL 108 CO 0.02 0.33 1.12 -0.62 -0.31 0.00 0.00 175.10 175.64 2pqa s ASP 109 N 0.99 6.48 0.39 4.85 2.15 -1.26 -4.90 116.67 125.38 2pqa s ASP 109 Ca -0.09 0.13 0.16 0.00 0.43 0.00 0.00 52.55 53.18 2pqa s ASP 109 Cb -0.15 -2.53 0.81 0.00 -0.30 0.00 0.00 42.92 40.76 2pqa s ASP 109 CO -0.00 -1.35 1.84 0.00 -0.17 0.00 0.00 175.17 175.49 2pqa h THR 110 N 6.15 1.10 -0.34 1.71 1.03 -2.00 -3.18 112.91 117.38 2pqa h THR 110 Ca -0.25 -1.24 0.01 0.00 -0.01 0.00 0.00 66.41 64.93 2pqa h THR 110 Cb 1.06 1.69 -0.02 0.00 -1.07 0.00 0.00 68.15 69.81 2pqa h THR 110 CO 1.14 0.34 0.21 0.44 -0.01 0.00 0.00 175.52 177.64 2pqa h ASP 111 N 0.00 0.36 -3.73 0.00 3.32 -2.07 -3.42 116.42 110.87 2pqa h ASP 111 Ca -0.00 -0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 2pqa h ASP 111 Cb 0.67 -0.08 -0.17 0.00 0.22 0.00 0.00 39.33 39.96 2pqa h ASP 111 CO 0.04 0.26 -0.37 -1.81 -1.72 0.00 0.00 179.24 175.64 2pqa s ASP 112 N -5.48 6.13 -1.30 6.45 1.11 -1.20 -5.01 116.67 117.36 2pqa s ASP 112 Ca -0.13 -0.17 -0.16 0.00 0.18 0.00 0.00 52.55 52.27 2pqa s ASP 112 Cb 0.10 -2.17 0.09 0.00 1.07 0.00 0.00 42.92 42.02 2pqa s ASP 112 CO 0.71 -0.24 1.75 0.35 1.18 0.00 0.00 175.17 178.93 2pqa n THR 113 N 5.15 3.97 0.38 -1.27 -2.24 -1.26 -4.85 114.28 114.16 2pqa n THR 113 Ca -0.11 -4.11 0.00 0.00 -2.27 0.00 0.00 64.05 57.56 2pqa n THR 113 Cb 0.50 -2.41 0.00 0.00 -2.10 0.00 0.00 70.33 66.32 2pqa n THR 113 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2pqa n SER 114 N 7.32 1.63 -1.14 3.42 7.64 -1.26 -4.58 113.62 126.64 2pqa n SER 114 Ca 0.46 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2pqa n SER 114 Cb 0.44 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2pqa n SER 114 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2pqa n SER 115 N 0.90 -1.52 0.00 6.43 2.88 -1.26 -4.77 113.62 116.28 2pqa n SER 115 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2pqa n SER 115 Cb 0.24 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 2pqa n SER 115 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2pqa n GLU 116 N 0.02 0.00 0.00 -1.46 -0.58 -1.26 -4.86 120.64 112.50 2pqa n GLU 116 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2pqa n GLU 116 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2pqa n GLU 116 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2pqa n ASN 117 N 1.93 0.00 0.00 1.62 3.02 -1.26 -4.82 115.26 115.75 2pqa n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2pqa n ASN 117 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2pqa n ASN 117 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2pqa n THR 118 N 0.00 0.00 -4.01 3.41 -1.04 -1.26 -4.18 114.28 107.20 2pqa n THR 118 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2pqa n THR 118 Cb 0.00 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.43 2pqa n THR 118 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2pqa s VAL 119 N 0.00 5.05 0.08 12.58 0.11 -1.26 -5.04 120.40 131.93 2pqa s VAL 119 Ca 0.00 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 2pqa s VAL 119 Cb 0.00 -3.21 -0.05 0.00 -1.53 0.00 0.00 36.38 31.58 2pqa s VAL 119 CO 0.00 0.56 1.06 -0.69 -3.33 0.00 0.00 175.10 172.70 2pqa s VAL 120 N -0.52 4.33 0.75 2.04 1.01 -1.26 -5.01 120.40 121.74 2pqa s VAL 120 Ca 0.11 1.79 -0.13 0.00 0.00 0.00 0.00 61.98 63.76 2pqa s VAL 120 Cb -0.12 -4.15 0.05 0.00 0.00 0.00 0.00 36.38 32.17 2pqa s VAL 120 CO 0.02 0.21 1.13 -2.84 0.00 0.00 0.00 175.10 173.62 2pqa s PRO 121 N 0.49 2.17 0.00 2.72 0.02 -1.26 -4.89 135.00 134.25 2pqa s PRO 121 Ca 0.52 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.99 2pqa s PRO 121 Cb -0.26 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2pqa s PRO 121 CO 0.30 -1.75 0.48 -0.35 -0.33 0.00 0.00 177.00 175.36 2pqa n PRO 122 N -3.12 0.82 -2.01 5.54 -0.04 -1.26 -3.38 135.00 131.55 2pqa n PRO 122 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2pqa n PRO 122 Cb 0.52 -1.35 0.05 0.00 -0.04 0.00 0.00 33.50 32.68 2pqa n PRO 122 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2pqa n GLU 123 N 0.19 1.10 -4.97 0.54 -0.58 -1.21 -4.34 120.64 111.35 2pqa n GLU 123 Ca 0.00 -2.88 -0.32 0.00 -0.42 0.00 0.00 57.16 53.54 2pqa n GLU 123 Cb 0.24 -0.95 -0.14 0.00 -0.57 0.00 0.00 31.44 30.02 2pqa n GLU 123 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2pqa s THR 124 N -2.14 2.84 0.06 2.62 2.01 -1.22 -4.87 115.64 114.93 2pqa s THR 124 Ca 0.33 -0.80 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 2pqa s THR 124 Cb 0.36 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 2pqa s THR 124 CO -0.09 0.58 0.98 -0.31 -0.69 0.00 0.00 174.62 175.09 2pqa s TYR 125 N -0.57 3.72 0.05 4.92 1.51 -1.26 -0.83 117.35 124.88 2pqa s TYR 125 Ca 0.08 1.73 0.03 0.00 -1.01 0.00 0.00 57.07 57.91 2pqa s TYR 125 Cb -0.11 -3.10 -0.02 0.00 -0.11 0.00 0.00 41.96 38.61 2pqa s TYR 125 CO 0.01 0.04 -0.10 0.14 -1.11 0.00 0.00 175.55 174.54 2pqa s VAL 126 N 0.51 0.73 -0.17 0.71 -7.23 -0.31 -1.93 120.40 112.70 2pqa s VAL 126 Ca 0.50 -1.06 -0.09 0.00 -1.81 0.00 0.00 61.98 59.52 2pqa s VAL 126 Cb -0.23 -0.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 2pqa s VAL 126 CO 0.29 -0.27 0.12 -0.75 -0.31 0.00 0.00 175.10 174.18 2pqa s LYS 127 N -1.47 3.93 -0.03 4.82 2.20 -0.26 -2.19 119.74 126.74 2pqa s LYS 127 Ca -0.06 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.40 2pqa s LYS 127 Cb -0.09 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.90 2pqa s LYS 127 CO 0.01 0.44 -0.22 0.08 -0.36 0.00 0.00 175.35 175.30 2pqa s VAL 128 N -0.06 1.76 -0.06 4.02 1.01 -0.08 -1.52 120.40 125.48 2pqa s VAL 128 Ca 0.10 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.19 2pqa s VAL 128 Cb -0.11 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 2pqa s VAL 128 CO -0.00 0.50 -0.21 0.00 0.00 0.00 0.00 175.10 175.39 2pqa s ALA 129 N -0.36 1.86 0.00 5.51 0.00 -0.58 -1.59 121.76 126.61 2pqa s ALA 129 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.14 2pqa s ALA 129 Cb -0.10 -0.62 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2pqa s ALA 129 CO 0.01 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2pqa n GLY 130 N 3.15 -1.25 3.70 0.00 0.00 -0.76 -0.50 105.19 109.53 2pqa n GLY 130 Ca -0.18 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 2pqa n GLY 130 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2pqa s HIS 131 N -2.73 3.21 -0.14 1.61 3.76 0.11 -1.83 115.29 119.28 2pqa s HIS 131 Ca 0.00 0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.83 2pqa s HIS 131 Cb 0.00 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 2pqa s HIS 131 CO 0.00 0.48 1.15 -1.17 -0.85 0.00 0.00 174.74 174.35 2pqa s LEU 132 N -0.84 4.20 0.31 0.89 2.96 -0.98 -0.68 118.68 124.55 2pqa s LEU 132 Ca 0.13 1.63 0.09 0.00 -0.22 0.00 0.00 54.13 55.76 2pqa s LEU 132 Cb -0.11 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 2pqa s LEU 132 CO 0.02 -0.63 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.29 2pqa s ARG 133 N 2.79 2.12 -0.14 1.98 1.81 0.58 -4.96 118.95 123.14 2pqa s ARG 133 Ca 0.51 -1.65 -0.05 0.00 -1.72 0.00 0.00 55.73 52.83 2pqa s ARG 133 Cb -0.20 -2.00 0.07 0.00 -0.45 0.00 0.00 34.95 32.37 2pqa s ARG 133 CO 0.15 0.21 0.28 0.45 -0.68 0.00 0.00 175.30 175.71 2pqa s SER 134 N -3.70 0.32 0.00 0.23 0.15 -1.26 -2.02 113.70 107.43 2pqa s SER 134 Ca 0.34 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2pqa s SER 134 Cb -0.02 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2pqa s SER 134 CO 0.19 -0.24 0.00 0.33 1.20 0.00 0.00 173.24 174.72 2pqa n PHE 135 N 5.35 0.00 -1.15 3.44 7.35 -0.18 -4.78 117.46 127.49 2pqa n PHE 135 Ca -0.06 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.43 2pqa n PHE 135 Cb 0.50 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.20 2pqa n PHE 135 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2pqa n GLN 136 N 0.00 2.42 -1.89 -4.13 1.13 -1.26 -4.33 117.38 109.32 2pqa n GLN 136 Ca 0.00 -1.46 -0.17 0.00 -1.94 0.00 0.00 57.00 53.43 2pqa n GLN 136 Cb 0.00 -2.17 -0.05 0.00 0.11 0.00 0.00 30.24 28.14 2pqa n GLN 136 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2pqa n ASN 137 N 2.43 -4.73 -4.53 1.08 2.85 -1.26 -5.01 115.26 106.08 2pqa n ASN 137 Ca 0.50 0.28 -0.34 0.00 -0.11 0.00 0.00 54.58 54.91 2pqa n ASN 137 Cb 0.74 -4.13 -0.11 0.00 1.24 0.00 0.00 39.78 37.51 2pqa n ASN 137 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2pqa s LYS 138 N -4.12 3.76 0.10 1.20 2.20 -1.26 -5.11 119.74 116.51 2pqa s LYS 138 Ca 0.00 -0.46 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 2pqa s LYS 138 Cb 0.00 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.22 2pqa s LYS 138 CO 0.00 0.21 0.36 0.15 -0.36 0.00 0.00 175.35 175.71 2pqa s LYS 139 N 0.49 3.65 0.09 4.03 1.02 -1.26 -1.01 119.74 126.76 2pqa s LYS 139 Ca -0.01 -0.01 -0.26 0.00 0.02 0.00 0.00 55.97 55.71 2pqa s LYS 139 Cb -0.14 -2.93 0.08 0.00 -0.52 0.00 0.00 37.83 34.32 2pqa s LYS 139 CO 0.02 0.53 0.86 -1.54 -0.92 0.00 0.00 175.35 174.30 2pqa s SER 140 N -2.10 -0.32 -0.11 2.83 1.04 -0.85 -4.57 113.70 109.61 2pqa s SER 140 Ca 0.36 -0.19 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 2pqa s SER 140 Cb -0.13 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 2pqa s SER 140 CO 0.21 -0.82 0.06 -0.76 0.98 0.00 0.00 173.24 172.91 2pqa s LEU 141 N -2.71 3.90 -0.32 2.42 1.02 -0.58 -0.31 118.68 122.10 2pqa s LEU 141 Ca 0.07 0.25 -0.10 0.00 0.02 0.00 0.00 54.13 54.37 2pqa s LEU 141 Cb -0.01 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 2pqa s LEU 141 CO -0.04 0.36 0.18 0.54 0.02 0.00 0.00 176.35 177.40 2pqa s VAL 142 N -0.77 4.76 0.06 -1.59 0.11 0.15 -0.90 120.40 122.22 2pqa s VAL 142 Ca 0.12 -0.41 -0.16 0.00 -2.93 0.00 0.00 61.98 58.61 2pqa s VAL 142 Cb -0.12 -3.45 -0.06 0.00 -1.53 0.00 0.00 36.38 31.22 2pqa s VAL 142 CO 0.03 0.02 0.49 0.00 -3.33 0.00 0.00 175.10 172.31 2pqa s ALA 143 N 1.63 3.64 -0.06 1.54 0.00 0.12 0.07 121.76 128.71 2pqa s ALA 143 Ca 0.05 -0.13 0.13 0.00 0.00 0.00 0.00 51.96 52.01 2pqa s ALA 143 Cb -0.17 -2.49 -0.19 0.00 0.00 0.00 0.00 23.12 20.27 2pqa s ALA 143 CO 0.07 0.45 0.21 1.19 0.00 0.00 0.00 175.76 177.68 2pqa n PHE 144 N 1.55 0.00 -3.79 0.00 3.01 0.35 -4.65 117.46 113.93 2pqa n PHE 144 Ca -0.11 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.22 2pqa n PHE 144 Cb 0.52 -0.44 -0.15 0.00 -0.01 0.00 0.00 39.48 39.40 2pqa n PHE 144 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pqa s LYS 145 N -2.72 0.05 -0.35 -1.08 2.20 -0.96 -5.01 119.74 111.87 2pqa s LYS 145 Ca -0.06 0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2pqa s LYS 145 Cb 0.07 -0.13 0.13 0.00 -1.51 0.00 0.00 37.83 36.38 2pqa s LYS 145 CO 0.56 -0.12 0.18 0.42 -0.36 0.00 0.00 175.35 176.03 2pqa s ILE 146 N 0.79 0.44 -0.30 5.43 1.01 -1.26 -1.52 121.20 125.79 2pqa s ILE 146 Ca -0.06 -1.63 -0.09 0.00 0.00 0.00 0.00 60.65 58.87 2pqa s ILE 146 Cb -0.08 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 2pqa s ILE 146 CO -0.03 -0.87 0.13 0.00 0.00 0.00 0.00 174.94 174.16 2pqa s MET 147 N 1.22 3.30 0.32 2.79 0.23 -0.57 -4.96 119.30 121.63 2pqa s MET 147 Ca 0.15 -0.73 -0.29 0.00 -1.03 0.00 0.00 55.69 53.79 2pqa s MET 147 Cb -0.21 -3.50 -0.13 0.00 -1.53 0.00 0.00 34.83 29.47 2pqa s MET 147 CO -0.11 -0.40 1.33 -2.30 -2.03 0.00 0.00 175.02 171.51 2pqa n PRO 148 N 4.95 2.12 -2.66 3.16 -0.02 -1.26 -1.10 135.00 140.19 2pqa n PRO 148 Ca -0.14 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 2pqa n PRO 148 Cb 0.49 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 2pqa n PRO 148 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pqa s LEU 149 N -0.72 4.19 0.28 2.45 1.43 -0.81 -4.86 118.68 120.63 2pqa s LEU 149 Ca 0.59 1.49 0.14 0.00 -1.03 0.00 0.00 54.13 55.32 2pqa s LEU 149 Cb -0.59 -3.55 0.24 0.00 0.03 0.00 0.00 46.19 42.33 2pqa s LEU 149 CO 0.59 -0.55 1.52 -0.33 0.23 0.00 0.00 176.35 177.81 2pqa h GLU 150 N 7.28 0.00 -4.02 1.70 4.39 -1.93 -3.43 114.58 118.57 2pqa h GLU 150 Ca -0.26 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 58.82 2pqa h GLU 150 Cb 1.11 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.36 2pqa h GLU 150 CO 0.91 0.57 -0.74 0.34 -1.16 0.00 0.00 179.01 178.92 2pqa s ASP 151 N -6.53 4.33 0.55 1.42 2.15 -1.26 -4.98 116.67 112.35 2pqa s ASP 151 Ca 0.02 -1.85 0.37 0.00 0.43 0.00 0.00 52.55 51.52 2pqa s ASP 151 Cb 0.10 -1.18 1.93 0.00 -0.30 0.00 0.00 42.92 43.47 2pqa s ASP 151 CO 0.74 -0.40 2.13 0.24 -0.17 0.00 0.00 175.17 177.71 2pqa h MET 152 N 7.89 0.00 -0.03 4.34 2.86 -2.02 0.45 114.93 128.42 2pqa h MET 152 Ca -0.10 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2pqa h MET 152 Cb 1.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 2pqa h MET 152 CO 0.49 0.00 0.02 -0.91 1.06 0.00 0.00 176.91 177.57 2pqa h ASN 153 N 0.00 0.00 0.29 1.22 2.35 -2.00 -0.55 115.58 116.89 2pqa h ASN 153 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2pqa h ASN 153 Cb 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 2pqa h ASN 153 CO 0.00 0.00 -0.09 -0.08 -1.65 0.00 0.00 177.43 175.61 2pqa h GLU 154 N 0.00 0.00 0.01 0.81 4.81 -1.33 -0.56 114.58 118.31 2pqa h GLU 154 Ca 0.01 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.99 2pqa h GLU 154 Cb 0.06 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.46 2pqa h GLU 154 CO -0.00 0.09 -1.03 0.35 -0.73 0.00 0.00 179.01 177.70 2pqa h PHE 155 N 0.00 0.90 -0.31 0.92 3.57 -1.23 -2.55 116.94 118.24 2pqa h PHE 155 Ca -0.00 -0.50 -0.02 0.00 3.53 0.00 0.00 57.97 60.98 2pqa h PHE 155 Cb 0.27 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2pqa h PHE 155 CO 0.00 1.33 0.11 1.15 -2.23 0.00 0.00 178.31 178.67 2pqa h THR 156 N 0.33 1.19 0.00 4.41 2.02 -1.14 -2.89 112.91 116.84 2pqa h THR 156 Ca -0.12 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 2pqa h THR 156 Cb 1.68 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2pqa h THR 156 CO 0.19 0.21 -0.12 0.71 0.37 0.00 0.00 175.52 176.88 2pqa h THR 157 N 0.35 0.37 -0.34 3.16 1.35 -1.21 -2.17 112.91 114.42 2pqa h THR 157 Ca 0.10 -0.71 -0.06 0.00 -0.55 0.00 0.00 66.41 65.19 2pqa h THR 157 Cb 0.22 1.52 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2pqa h THR 157 CO -0.01 0.12 -0.03 -0.74 -0.25 0.00 0.00 175.52 174.61 2pqa h HIS 158 N 0.00 0.69 -0.52 4.73 6.17 -1.25 0.13 115.15 125.11 2pqa h HIS 158 Ca -0.00 -0.13 0.10 0.00 0.71 0.00 0.00 60.37 61.05 2pqa h HIS 158 Cb 0.51 -0.18 -0.09 0.00 2.52 0.00 0.00 27.41 30.17 2pqa h HIS 158 CO 0.00 0.76 -0.07 0.82 0.71 0.00 0.00 177.93 180.15 2pqa h ILE 159 N 0.42 0.53 -0.73 6.26 2.04 -1.27 0.96 117.51 125.73 2pqa h ILE 159 Ca 0.09 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2pqa h ILE 159 Cb 0.51 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2pqa h ILE 159 CO 0.02 0.01 0.21 -0.07 0.00 0.00 0.00 178.15 178.32 2pqa h LEU 160 N 0.05 1.08 -0.68 1.44 3.38 -1.28 -2.68 115.31 116.62 2pqa h LEU 160 Ca 0.26 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2pqa h LEU 160 Cb 0.40 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2pqa h LEU 160 CO -0.49 1.02 -0.16 -0.33 0.09 0.00 0.00 178.44 178.57 2pqa h GLU 161 N 1.09 0.85 0.56 1.13 5.08 0.00 -1.05 114.58 122.25 2pqa h GLU 161 Ca 0.23 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2pqa h GLU 161 Cb 0.33 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2pqa h GLU 161 CO -0.00 0.95 -0.37 0.28 -1.00 0.00 0.00 179.01 178.87 2pqa h VAL 162 N 0.76 0.00 -0.35 3.13 2.07 -0.72 0.23 116.25 121.37 2pqa h VAL 162 Ca 0.11 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.70 2pqa h VAL 162 Cb 0.68 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 2pqa h VAL 162 CO 0.05 0.00 -0.08 0.40 0.02 0.00 0.00 177.57 177.96 2pqa h ILE 163 N -0.88 0.66 -0.35 4.57 2.04 -1.42 0.03 117.51 122.16 2pqa h ILE 163 Ca -0.07 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 2pqa h ILE 163 Cb 0.71 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2pqa h ILE 163 CO 0.06 0.00 -0.23 0.78 0.00 0.00 0.00 178.15 178.76 2pqa h ASN 164 N 0.00 0.71 -0.27 1.72 4.21 -1.19 -0.16 115.58 120.60 2pqa h ASN 164 Ca 0.17 -0.25 -0.06 0.00 1.21 0.00 0.00 56.30 57.37 2pqa h ASN 164 Cb 0.25 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 37.25 2pqa h ASN 164 CO -0.35 0.92 -0.05 0.00 -1.29 0.00 0.00 177.43 176.66 2pqa h ALA 165 N 1.13 0.36 -0.49 -0.83 0.00 0.44 -0.11 119.26 119.77 2pqa h ALA 165 Ca 0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2pqa h ALA 165 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2pqa h ALA 165 CO 0.06 0.16 0.05 0.45 0.00 0.00 0.00 179.25 179.97 2pqa h HIS 166 N 0.26 0.88 0.02 0.00 3.86 -1.00 0.10 115.15 119.27 2pqa h HIS 166 Ca 0.07 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2pqa h HIS 166 Cb 0.51 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.69 2pqa h HIS 166 CO 0.05 0.82 -0.37 1.98 0.86 0.00 0.00 177.93 181.27 2pqa h MET 167 N 0.69 -0.52 -0.47 2.45 -1.53 -0.95 0.24 114.93 114.85 2pqa h MET 167 Ca 0.14 0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 2pqa h MET 167 Cb 0.43 0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 2pqa h MET 167 CO 0.01 -0.35 0.26 0.28 0.14 0.00 0.00 176.91 177.26 2pqa h VAL 168 N -0.54 1.16 -0.22 -5.77 2.07 -0.86 -3.25 116.25 108.83 2pqa h VAL 168 Ca 0.05 -0.40 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 2pqa h VAL 168 Cb 0.62 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2pqa h VAL 168 CO -0.28 0.17 -0.34 -0.07 0.02 0.00 0.00 177.57 177.07 2pqa h LEU 169 N 0.62 0.68 0.00 2.57 3.38 -0.61 -3.51 115.31 118.43 2pqa h LEU 169 Ca 0.16 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2pqa h LEU 169 Cb 0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2pqa h LEU 169 CO -0.03 1.06 0.00 -1.54 0.09 0.00 0.00 178.44 178.03