#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7f s VAL 2 N 0.00 4.78 -0.27 0.52 1.01 -1.26 -5.08 120.40 120.10 2b7f s VAL 2 Ca 0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 2b7f s VAL 2 Cb 0.00 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2b7f s VAL 2 CO 0.00 -0.81 0.69 -0.63 0.00 0.00 0.00 175.10 174.35 2b7f s ILE 3 N 2.91 4.91 0.39 2.22 1.09 -1.26 -5.06 121.20 126.41 2b7f s ILE 3 Ca 0.20 1.15 -0.25 0.00 -1.10 0.00 0.00 60.65 60.64 2b7f s ILE 3 Cb -0.17 -4.02 -0.09 0.00 -1.06 0.00 0.00 42.46 37.13 2b7f s ILE 3 CO 0.15 -0.08 1.13 -2.84 -0.10 0.00 0.00 174.94 173.20 2b7f s PRO 4 N 2.67 4.11 -0.11 2.79 0.02 -1.26 -5.04 135.00 138.18 2b7f s PRO 4 Ca 0.28 1.73 -0.06 0.00 0.02 0.00 0.00 61.00 62.98 2b7f s PRO 4 Cb -0.15 -2.66 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 2b7f s PRO 4 CO 0.10 -0.24 0.12 -0.51 -0.33 0.00 0.00 177.00 176.14 2b7f s LEU 5 N -2.48 4.25 -0.23 -5.54 1.43 -1.26 -4.94 118.68 109.90 2b7f s LEU 5 Ca 0.57 0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 53.98 2b7f s LEU 5 Cb -0.28 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.00 2b7f s LEU 5 CO 0.35 0.40 0.51 -0.62 0.23 0.00 0.00 176.35 177.23 2b7f s ASP 6 N -1.01 -0.62 0.51 2.29 -1.08 -1.26 -5.05 116.67 110.44 2b7f s ASP 6 Ca 0.15 1.19 0.19 0.00 -0.52 0.00 0.00 52.55 53.56 2b7f s ASP 6 Cb -0.12 1.49 1.28 0.00 -1.46 0.00 0.00 42.92 44.11 2b7f s ASP 6 CO 0.04 -0.22 2.11 1.55 0.52 0.00 0.00 175.17 179.16 2b7f h PRO 7 N 7.78 0.00 -0.00 4.34 0.13 -2.03 -2.90 132.00 139.32 2b7f h PRO 7 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2b7f h PRO 7 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2b7f h PRO 7 CO 0.15 0.07 -0.29 0.00 -0.23 0.00 0.00 178.00 177.71 2b7f n ALA 8 N -2.47 3.07 -3.85 -0.56 0.00 -1.26 -4.69 120.51 110.74 2b7f n ALA 8 Ca -0.03 -0.27 -0.30 0.00 0.00 0.00 0.00 53.44 52.84 2b7f n ALA 8 Cb 0.15 -1.25 -0.15 0.00 0.00 0.00 0.00 19.45 18.21 2b7f n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2b7f s ARG 9 N -2.89 1.03 0.12 0.00 0.52 -1.10 -5.11 118.95 111.53 2b7f s ARG 9 Ca 0.15 -1.41 -0.35 0.00 -0.52 0.00 0.00 55.73 53.60 2b7f s ARG 9 Cb 0.18 -2.49 -0.16 0.00 0.52 0.00 0.00 34.95 33.01 2b7f s ARG 9 CO 0.61 -0.97 1.32 0.54 0.02 0.00 0.00 175.30 176.81 2b7f n ARG 10 N 4.59 1.28 -2.48 3.54 5.12 -1.26 -4.49 116.66 122.97 2b7f n ARG 10 Ca 0.01 0.46 -0.41 0.00 -1.93 0.00 0.00 57.85 55.98 2b7f n ARG 10 Cb 0.42 -2.07 -0.03 0.00 -1.16 0.00 0.00 32.46 29.61 2b7f n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2b7f s PRO 11 N 0.25 3.13 0.12 5.56 0.04 -1.26 -5.00 135.00 137.83 2b7f s PRO 11 Ca 0.80 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.75 2b7f s PRO 11 Cb -0.89 -4.28 -0.04 0.00 0.04 0.00 0.00 34.50 29.33 2b7f s PRO 11 CO 0.48 -2.24 -0.11 0.14 0.04 0.00 0.00 177.00 175.30 2b7f s VAL 12 N 6.20 3.24 0.16 -0.36 -7.23 -1.26 -1.51 120.40 119.63 2b7f s VAL 12 Ca 0.40 -1.39 0.06 0.00 -1.81 0.00 0.00 61.98 59.24 2b7f s VAL 12 Cb -0.08 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2b7f s VAL 12 CO 0.14 0.06 -0.13 -0.51 -0.31 0.00 0.00 175.10 174.36 2b7f s ILE 13 N -1.30 1.39 -0.30 -0.62 2.07 0.07 -4.90 121.20 117.60 2b7f s ILE 13 Ca 0.21 -2.01 -0.20 0.00 -1.41 0.00 0.00 60.65 57.25 2b7f s ILE 13 Cb -0.10 -1.81 -0.01 0.00 0.13 0.00 0.00 42.46 40.66 2b7f s ILE 13 CO 0.13 -0.61 0.61 -0.54 -1.91 0.00 0.00 174.94 172.62 2b7f s LYS 14 N -3.40 3.93 0.01 3.50 -0.14 -1.26 -0.80 119.74 121.58 2b7f s LYS 14 Ca 0.16 0.30 0.05 0.00 -1.36 0.00 0.00 55.97 55.13 2b7f s LYS 14 Cb -0.01 -3.71 -0.02 0.00 -1.68 0.00 0.00 37.83 32.42 2b7f s LYS 14 CO 0.03 -0.53 -0.16 0.00 -0.76 0.00 0.00 175.35 173.93 2b7f s ALA 15 N 2.54 1.35 -0.24 5.17 0.00 -0.19 -3.88 121.76 126.52 2b7f s ALA 15 Ca 0.24 -0.76 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 2b7f s ALA 15 Cb -0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2b7f s ALA 15 CO 0.11 0.31 0.39 -1.14 0.00 0.00 0.00 175.76 175.43 2b7f s GLN 16 N -0.64 4.09 -0.10 0.00 0.74 0.07 -0.29 119.66 123.53 2b7f s GLN 16 Ca 0.05 0.13 0.03 0.00 0.05 0.00 0.00 55.36 55.62 2b7f s GLN 16 Cb -0.07 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.44 2b7f s GLN 16 CO 0.00 -0.16 -0.20 0.08 -0.55 0.00 0.00 175.29 174.46 2b7f s VAL 17 N 1.71 2.44 -0.30 1.34 1.01 0.34 -0.60 120.40 126.34 2b7f s VAL 17 Ca 0.17 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2b7f s VAL 17 Cb -0.15 -1.96 0.08 0.00 0.00 0.00 0.00 36.38 34.35 2b7f s VAL 17 CO 0.09 0.55 -0.02 -0.62 0.00 0.00 0.00 175.10 175.10 2b7f s ASP 18 N 0.18 4.51 0.01 3.32 -1.08 -0.14 -1.38 116.67 122.10 2b7f s ASP 18 Ca -0.12 -1.73 0.29 0.00 -0.52 0.00 0.00 52.55 50.48 2b7f s ASP 18 Cb -0.16 -1.51 1.22 0.00 -1.46 0.00 0.00 42.92 41.01 2b7f s ASP 18 CO 0.06 -0.29 1.92 0.35 0.52 0.00 0.00 175.17 177.74 2b7f n THR 19 N 4.40 0.02 -1.62 1.71 -2.24 -1.26 -2.30 114.28 112.99 2b7f n THR 19 Ca -0.05 -0.01 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 2b7f n THR 19 Cb 0.42 -0.50 -0.07 0.00 -2.10 0.00 0.00 70.33 68.08 2b7f n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2b7f n GLN 20 N -1.53 -1.45 0.00 -0.78 6.02 -1.26 -4.79 117.38 113.59 2b7f n GLN 20 Ca 0.07 1.10 0.00 0.00 -0.01 0.00 0.00 57.00 58.16 2b7f n GLN 20 Cb 0.34 -5.47 0.00 0.00 1.02 0.00 0.00 30.24 26.13 2b7f n GLN 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2b7f n THR 21 N -2.38 0.00 -3.89 5.09 -2.24 -1.26 -5.10 114.28 104.51 2b7f n THR 21 Ca -0.19 -0.19 -0.08 0.00 -2.27 0.00 0.00 64.05 61.31 2b7f n THR 21 Cb 0.62 1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 69.88 2b7f n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2b7f s SER 22 N -0.36 -0.13 0.64 3.42 1.04 -1.26 -3.95 113.70 113.10 2b7f s SER 22 Ca 0.00 -0.80 -0.18 0.00 0.48 0.00 0.00 55.95 55.45 2b7f s SER 22 Cb 0.00 0.72 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 2b7f s SER 22 CO 0.00 -1.37 1.26 -1.00 0.98 0.00 0.00 173.24 173.11 2b7f s HIS 23 N -3.61 2.15 0.75 5.02 0.09 -1.26 -4.45 115.29 113.98 2b7f s HIS 23 Ca 0.15 1.50 -0.15 0.00 -0.00 0.00 0.00 55.06 56.57 2b7f s HIS 23 Cb -0.05 -3.62 0.05 0.00 -0.00 0.00 0.00 32.58 28.96 2b7f s HIS 23 CO 0.09 -2.71 1.21 -2.14 -0.00 0.00 0.00 174.74 171.18 2b7f s PRO 24 N -3.42 2.03 -0.07 8.40 0.02 -1.26 -4.87 135.00 135.83 2b7f s PRO 24 Ca 0.80 1.75 -0.06 0.00 0.02 0.00 0.00 61.00 63.52 2b7f s PRO 24 Cb -0.35 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.37 2b7f s PRO 24 CO 0.39 -1.92 0.18 0.15 -0.33 0.00 0.00 177.00 175.47 2b7f s LYS 25 N -3.97 0.20 -0.32 5.54 1.02 -0.48 -4.94 119.74 116.80 2b7f s LYS 25 Ca 0.74 0.26 -0.20 0.00 0.02 0.00 0.00 55.97 56.79 2b7f s LYS 25 Cb -0.29 0.09 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2b7f s LYS 25 CO 0.47 -0.03 0.60 0.99 -0.92 0.00 0.00 175.35 176.45 2b7f s THR 26 N 0.15 4.96 0.31 2.17 2.01 -1.26 -0.50 115.64 123.47 2b7f s THR 26 Ca -0.00 0.73 0.08 0.00 0.31 0.00 0.00 61.69 62.80 2b7f s THR 26 Cb -0.02 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 2b7f s THR 26 CO -0.00 -0.15 -0.08 0.27 -0.69 0.00 0.00 174.62 173.97 2b7f s ILE 27 N 2.55 1.91 -0.20 1.82 -4.36 0.60 -4.90 121.20 118.62 2b7f s ILE 27 Ca 0.23 -2.17 -0.16 0.00 -0.26 0.00 0.00 60.65 58.29 2b7f s ILE 27 Cb -0.15 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 2b7f s ILE 27 CO 0.12 -0.26 0.42 -0.70 0.24 0.00 0.00 174.94 174.76 2b7f s GLU 28 N -3.67 4.18 -0.00 0.37 2.12 -1.26 -1.02 118.70 119.40 2b7f s GLU 28 Ca 0.31 0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.95 2b7f s GLU 28 Cb 0.03 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 2b7f s GLU 28 CO 0.14 -0.06 -0.21 0.00 -0.54 0.00 0.00 175.26 174.59 2b7f s ALA 29 N 1.38 1.74 -0.02 6.30 0.00 0.02 -4.70 121.76 126.48 2b7f s ALA 29 Ca 0.20 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 2b7f s ALA 29 Cb -0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 2b7f s ALA 29 CO 0.08 0.42 1.18 -1.17 0.00 0.00 0.00 175.76 176.28 2b7f s LEU 30 N -0.62 4.31 -0.36 0.00 2.96 0.16 -0.75 118.68 124.38 2b7f s LEU 30 Ca 0.08 1.85 -0.29 0.00 -0.22 0.00 0.00 54.13 55.55 2b7f s LEU 30 Cb -0.08 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2b7f s LEU 30 CO -0.00 -0.53 1.24 -0.76 -1.32 0.00 0.00 176.35 174.97 2b7f s LEU 31 N 1.85 3.78 -0.33 -0.68 1.43 -0.57 0.79 118.68 124.95 2b7f s LEU 31 Ca 0.56 0.94 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2b7f s LEU 31 Cb -0.25 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.55 2b7f s LEU 31 CO 0.24 -1.14 0.20 -0.62 0.23 0.00 0.00 176.35 175.26 2b7f s ASP 32 N 2.69 2.97 0.56 2.29 2.15 -0.19 -4.80 116.67 122.34 2b7f s ASP 32 Ca 0.53 -1.86 0.37 0.00 0.43 0.00 0.00 52.55 52.01 2b7f s ASP 32 Cb -0.13 -0.30 2.00 0.00 -0.30 0.00 0.00 42.92 44.19 2b7f s ASP 32 CO 0.25 -0.34 2.12 0.71 -0.17 0.00 0.00 175.17 177.74 2b7f h THR 33 N 5.43 0.00 -0.41 1.71 1.35 -1.95 -2.11 112.91 116.93 2b7f h THR 33 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2b7f h THR 33 Cb 0.99 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 2b7f h THR 33 CO 0.31 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2b7f n GLY 34 N -1.16 1.57 3.33 5.82 0.00 -1.26 -4.79 105.19 108.70 2b7f n GLY 34 Ca -0.02 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 2b7f n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b7f s ALA 35 N -1.64 2.89 0.32 4.61 0.00 -0.79 -5.02 121.76 122.12 2b7f s ALA 35 Ca 0.31 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2b7f s ALA 35 Cb 0.19 -1.82 0.52 0.00 0.00 0.00 0.00 23.12 22.02 2b7f s ALA 35 CO 0.16 -0.52 1.92 -0.44 0.00 0.00 0.00 175.76 176.88 2b7f h ASP 36 N 8.14 0.73 -4.38 0.00 3.32 -1.88 0.66 116.42 123.01 2b7f h ASP 36 Ca -0.39 -0.08 -0.29 0.00 0.02 0.00 0.00 57.03 56.29 2b7f h ASP 36 Cb 1.16 -0.19 -0.17 0.00 0.22 0.00 0.00 39.33 40.35 2b7f h ASP 36 CO 0.60 0.64 -0.72 -0.04 -1.72 0.00 0.00 179.24 177.99 2b7f s MET 37 N -5.44 0.87 0.55 3.56 -1.94 -1.26 -3.40 119.30 112.23 2b7f s MET 37 Ca -0.10 -1.24 -0.19 0.00 -1.71 0.00 0.00 55.69 52.46 2b7f s MET 37 Cb 0.17 -0.46 -0.05 0.00 2.01 0.00 0.00 34.83 36.49 2b7f s MET 37 CO 0.78 0.05 1.12 0.99 -0.01 0.00 0.00 175.02 177.95 2b7f s THR 38 N -2.84 3.23 -0.09 2.05 2.01 -1.26 -4.46 115.64 114.28 2b7f s THR 38 Ca 0.08 0.74 0.04 0.00 0.31 0.00 0.00 61.69 62.87 2b7f s THR 38 Cb -0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2b7f s THR 38 CO -0.01 -0.19 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.82 2b7f s VAL 39 N -1.86 1.87 -0.04 3.82 1.01 -0.40 -1.26 120.40 123.55 2b7f s VAL 39 Ca 0.72 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2b7f s VAL 39 Cb -0.23 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2b7f s VAL 39 CO 0.28 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 175.15 2b7f s ILE 40 N 0.32 1.05 0.25 2.22 1.01 -0.53 -1.79 121.20 123.73 2b7f s ILE 40 Ca -0.16 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 2b7f s ILE 40 Cb -0.17 -0.92 -0.11 0.00 0.01 0.00 0.00 42.46 41.27 2b7f s ILE 40 CO 0.07 0.32 1.55 -2.84 0.00 0.00 0.00 174.94 174.04 2b7f s PRO 41 N 0.17 4.18 0.58 2.79 0.02 -1.21 -0.60 135.00 140.93 2b7f s PRO 41 Ca -0.04 2.46 0.28 0.00 0.02 0.00 0.00 61.00 63.72 2b7f s PRO 41 Cb -0.10 -3.07 1.59 0.00 0.02 0.00 0.00 34.50 32.93 2b7f s PRO 41 CO 0.01 -0.57 2.07 0.97 -0.33 0.00 0.00 177.00 179.15 2b7f h ILE 42 N 3.56 0.51 -0.00 2.83 2.10 -0.83 -1.98 117.51 123.70 2b7f h ILE 42 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 2b7f h ILE 42 Cb 1.22 0.81 -0.00 0.00 -1.09 0.00 0.00 36.82 37.75 2b7f h ILE 42 CO 0.82 0.00 0.08 0.00 -1.08 0.00 0.00 178.15 177.97 2b7f h ALA 43 N 1.74 1.08 -0.01 0.18 0.00 -1.90 -2.41 119.26 117.94 2b7f h ALA 43 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2b7f h ALA 43 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2b7f h ALA 43 CO -0.00 -0.08 -0.07 1.28 0.00 0.00 0.00 179.25 180.38 2b7f n LEU 44 N -3.04 0.74 -4.65 0.00 4.77 -0.74 -4.85 117.00 109.23 2b7f n LEU 44 Ca -0.03 -0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.45 2b7f n LEU 44 Cb 0.15 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 2b7f n LEU 44 CO 0.18 0.13 -0.34 -0.36 -1.33 0.00 0.00 177.39 175.67 2b7f s PHE 45 N -2.23 3.01 0.17 -1.77 0.40 -0.91 -4.63 117.98 112.03 2b7f s PHE 45 Ca 0.35 0.05 -0.33 0.00 -0.60 0.00 0.00 56.93 56.40 2b7f s PHE 45 Cb 0.21 -1.66 -0.14 0.00 0.51 0.00 0.00 43.02 41.93 2b7f s PHE 45 CO 0.41 0.43 1.43 -1.13 0.70 0.00 0.00 175.22 177.06 2b7f n SER 46 N 1.54 2.50 -2.44 1.36 3.41 -1.25 -4.79 113.62 113.94 2b7f n SER 46 Ca -0.15 1.12 -0.16 0.00 -0.26 0.00 0.00 58.87 59.41 2b7f n SER 46 Cb 0.53 -1.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.02 2b7f n SER 46 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2b7f n SER 47 N 2.69 5.08 0.00 4.04 7.64 -1.26 -1.52 113.62 130.29 2b7f n SER 47 Ca 0.15 -2.34 0.00 0.00 1.01 0.00 0.00 58.87 57.69 2b7f n SER 47 Cb 0.27 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2b7f n SER 47 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2b7f n ASN 48 N 2.97 0.00 -4.86 6.43 5.15 -1.26 -5.12 115.26 118.57 2b7f n ASN 48 Ca 0.43 -0.56 -0.37 0.00 -0.60 0.00 0.00 54.58 53.48 2b7f n ASN 48 Cb 0.57 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.76 2b7f n ASN 48 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2b7f s THR 49 N 0.00 5.30 0.33 -0.44 2.01 -0.57 -5.10 115.64 117.16 2b7f s THR 49 Ca 0.00 0.48 -0.26 0.00 0.31 0.00 0.00 61.69 62.22 2b7f s THR 49 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 2b7f s THR 49 CO 0.00 0.60 0.96 -2.84 -0.69 0.00 0.00 174.62 172.65 2b7f s PRO 50 N -1.01 4.55 -0.06 4.92 0.02 -1.26 -5.07 135.00 137.08 2b7f s PRO 50 Ca 0.19 1.36 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 2b7f s PRO 50 Cb -0.14 -2.79 0.03 0.00 0.02 0.00 0.00 34.50 31.61 2b7f s PRO 50 CO 0.08 0.24 0.15 -0.51 -0.33 0.00 0.00 177.00 176.63 2b7f s LEU 51 N -2.08 1.04 0.53 -5.54 1.43 -1.26 -3.87 118.68 108.92 2b7f s LEU 51 Ca 0.51 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.86 2b7f s LEU 51 Cb -0.19 0.44 -0.02 0.00 0.03 0.00 0.00 46.19 46.45 2b7f s LEU 51 CO 0.25 -0.10 0.83 -0.54 0.23 0.00 0.00 176.35 177.01 2b7f s LYS 52 N 0.68 3.25 0.49 1.70 1.02 0.04 -4.83 119.74 122.10 2b7f s LYS 52 Ca -0.05 0.07 -0.17 0.00 0.02 0.00 0.00 55.97 55.84 2b7f s LYS 52 Cb -0.07 -2.34 -0.08 0.00 -0.52 0.00 0.00 37.83 34.82 2b7f s LYS 52 CO -0.03 -0.42 0.96 -0.80 -0.92 0.00 0.00 175.35 174.14 2b7f s ASN 53 N -4.20 6.65 0.06 2.83 0.01 -1.26 -0.92 114.94 118.11 2b7f s ASN 53 Ca 0.50 1.54 -0.26 0.00 -0.71 0.00 0.00 52.86 53.93 2b7f s ASN 53 Cb -0.10 -2.50 0.09 0.00 0.41 0.00 0.00 41.25 39.15 2b7f s ASN 53 CO 0.45 -0.54 0.77 0.28 -1.51 0.00 0.00 177.10 176.54 2b7f s THR 54 N -2.55 0.00 -0.01 1.60 -1.32 -1.26 -4.68 115.64 107.42 2b7f s THR 54 Ca 0.59 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.14 2b7f s THR 54 Cb -0.10 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2b7f s THR 54 CO 0.29 0.00 -0.25 -0.94 -2.21 0.00 0.00 174.62 171.52 2b7f s SER 55 N -2.57 2.90 0.00 8.08 1.04 -1.26 -4.54 113.70 117.36 2b7f s SER 55 Ca 0.03 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.03 2b7f s SER 55 Cb -0.01 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 2b7f s SER 55 CO -0.10 0.29 -0.12 -0.69 0.98 0.00 0.00 173.24 173.59 2b7f s VAL 56 N -0.62 0.98 -0.31 5.02 1.01 -0.51 -4.97 120.40 120.99 2b7f s VAL 56 Ca 0.10 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 2b7f s VAL 56 Cb -0.09 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 2b7f s VAL 56 CO -0.00 0.19 0.38 -0.22 0.00 0.00 0.00 175.10 175.45 2b7f s LEU 57 N -0.52 4.26 0.51 3.92 0.20 -1.26 -1.20 118.68 124.60 2b7f s LEU 57 Ca 0.04 0.00 0.03 0.00 0.69 0.00 0.00 54.13 54.89 2b7f s LEU 57 Cb -0.06 -2.40 -0.00 0.00 -0.43 0.00 0.00 46.19 43.30 2b7f s LEU 57 CO -0.00 -0.29 0.16 -0.83 -0.29 0.00 0.00 176.35 175.10 2b7f s GLY 58 N 1.70 2.72 0.30 7.98 0.00 -1.07 -4.95 107.32 114.00 2b7f s GLY 58 Ca 0.14 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.97 2b7f s GLY 58 CO 0.11 -2.08 1.88 0.00 0.00 0.00 0.00 173.10 173.01 2b7f h ALA 59 N 1.16 1.55 -0.31 3.20 0.00 -2.02 -0.02 119.26 122.82 2b7f h ALA 59 Ca -0.41 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 2b7f h ALA 59 Cb 1.30 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2b7f h ALA 59 CO 0.68 0.26 0.22 0.41 0.00 0.00 0.00 179.25 180.83 2b7f n GLY 60 N -1.38 2.99 0.00 0.00 0.00 -1.26 -5.04 105.19 100.49 2b7f n GLY 60 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2b7f n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b7f n GLY 61 N 0.19 -1.19 3.66 -0.02 0.00 -0.02 -4.94 105.19 102.86 2b7f n GLY 61 Ca 0.19 -1.61 -0.44 0.00 0.00 0.00 0.00 46.02 44.15 2b7f n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2b7f n GLN 62 N -1.45 1.86 -4.35 1.61 6.02 -1.26 -2.60 117.38 117.21 2b7f n GLN 62 Ca 0.00 0.66 -0.20 0.00 -0.01 0.00 0.00 57.00 57.45 2b7f n GLN 62 Cb 0.00 -2.21 -0.15 0.00 1.02 0.00 0.00 30.24 28.90 2b7f n GLN 62 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2b7f s THR 63 N -0.72 0.73 -0.32 5.09 -1.32 -0.34 -4.93 115.64 113.82 2b7f s THR 63 Ca 0.61 -0.33 0.10 0.00 -1.21 0.00 0.00 61.69 60.86 2b7f s THR 63 Cb -0.64 -0.65 -0.12 0.00 -1.51 0.00 0.00 72.50 69.58 2b7f s THR 63 CO 0.57 0.23 0.35 0.00 -2.21 0.00 0.00 174.62 173.57 2b7f n GLN 64 N 3.33 2.75 -0.01 7.08 6.02 -1.26 -1.43 117.38 133.86 2b7f n GLN 64 Ca -0.18 -0.03 0.05 0.00 -0.01 0.00 0.00 57.00 56.83 2b7f n GLN 64 Cb 0.54 -1.04 -0.14 0.00 1.02 0.00 0.00 30.24 30.63 2b7f n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2b7f n ASP 65 N -1.41 0.21 -0.01 1.08 8.00 -1.26 -4.57 116.55 118.59 2b7f n ASP 65 Ca 0.01 0.09 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 2b7f n ASP 65 Cb 0.18 1.36 -0.14 0.00 -0.02 0.00 0.00 41.12 42.51 2b7f n ASP 65 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 2b7f h HIS 66 N 0.00 0.13 -3.82 1.24 3.86 -1.89 -3.45 115.15 111.22 2b7f h HIS 66 Ca -0.14 -0.10 -0.68 0.00 -1.16 0.00 0.00 60.37 58.29 2b7f h HIS 66 Cb 1.35 -0.01 -0.28 0.00 1.06 0.00 0.00 27.41 29.54 2b7f h HIS 66 CO 0.00 1.19 -0.82 -0.06 0.86 0.00 0.00 177.93 179.11 2b7f s PHE 67 N -2.59 2.62 0.42 2.45 0.08 -1.26 -2.18 117.98 117.51 2b7f s PHE 67 Ca -0.08 -0.54 0.08 0.00 0.12 0.00 0.00 56.93 56.51 2b7f s PHE 67 Cb 0.08 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 2b7f s PHE 67 CO 0.81 -0.10 0.43 0.15 -0.10 0.00 0.00 175.22 176.42 2b7f s LYS 68 N -0.19 2.62 0.12 0.44 -0.14 -0.42 -4.14 119.74 118.02 2b7f s LYS 68 Ca -0.01 -1.45 0.04 0.00 -1.36 0.00 0.00 55.97 53.18 2b7f s LYS 68 Cb -0.13 -2.48 -0.04 0.00 -1.68 0.00 0.00 37.83 33.49 2b7f s LYS 68 CO 0.03 -0.21 0.10 -1.17 -0.76 0.00 0.00 175.35 173.34 2b7f s LEU 69 N -4.19 3.79 0.21 3.17 2.96 -0.10 -0.26 118.68 124.27 2b7f s LEU 69 Ca 0.50 -0.07 -0.25 0.00 -0.22 0.00 0.00 54.13 54.10 2b7f s LEU 69 Cb -0.05 -2.44 -0.08 0.00 0.50 0.00 0.00 46.19 44.11 2b7f s LEU 69 CO 0.29 0.13 0.81 0.42 -1.32 0.00 0.00 176.35 176.68 2b7f s THR 70 N -1.54 4.35 0.08 3.68 -4.23 -0.65 -0.78 115.64 116.56 2b7f s THR 70 Ca 0.30 1.67 -0.16 0.00 -1.18 0.00 0.00 61.69 62.32 2b7f s THR 70 Cb -0.11 -4.07 -0.12 0.00 1.34 0.00 0.00 72.50 69.53 2b7f s THR 70 CO 0.22 0.38 1.35 0.28 -0.54 0.00 0.00 174.62 176.32 2b7f h SER 71 N 3.90 0.71 -2.48 3.99 0.02 -1.93 -3.44 113.55 114.32 2b7f h SER 71 Ca -0.47 -0.53 -0.53 0.00 -0.84 0.00 0.00 61.79 59.42 2b7f h SER 71 Cb 1.20 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 2b7f h SER 71 CO 0.66 1.11 -0.47 -0.76 -1.14 0.00 0.00 176.83 176.23 2b7f s LEU 72 N -8.83 4.27 1.05 5.07 1.43 -1.26 -5.03 118.68 115.38 2b7f s LEU 72 Ca -0.12 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.96 2b7f s LEU 72 Cb 0.08 -2.84 0.17 0.00 0.03 0.00 0.00 46.19 43.63 2b7f s LEU 72 CO 0.83 0.03 0.78 -2.65 0.23 0.00 0.00 176.35 175.56 2b7f n PRO 73 N -0.73 -1.32 -4.59 1.29 -0.02 -1.21 -4.73 135.00 123.70 2b7f n PRO 73 Ca -0.08 -0.34 -0.25 0.00 -2.02 0.00 0.00 63.50 60.82 2b7f n PRO 73 Cb 0.55 -2.10 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 2b7f n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2b7f s VAL 74 N -2.45 1.14 -0.11 -1.45 1.01 -0.28 -4.65 120.40 113.61 2b7f s VAL 74 Ca 0.64 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 2b7f s VAL 74 Cb -0.22 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 2b7f s VAL 74 CO 0.64 0.35 0.13 -0.76 0.00 0.00 0.00 175.10 175.46 2b7f s LEU 75 N 0.65 4.31 -0.08 3.92 1.02 -0.97 -1.21 118.68 126.32 2b7f s LEU 75 Ca -0.14 0.43 -0.01 0.00 0.02 0.00 0.00 54.13 54.43 2b7f s LEU 75 Cb -0.16 -2.07 0.03 0.00 0.02 0.00 0.00 46.19 44.01 2b7f s LEU 75 CO 0.04 0.40 -0.02 -0.63 0.02 0.00 0.00 176.35 176.16 2b7f s ILE 76 N -1.03 0.53 -0.18 -0.59 1.01 -0.78 -0.96 121.20 119.20 2b7f s ILE 76 Ca 0.15 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 2b7f s ILE 76 Cb -0.12 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 2b7f s ILE 76 CO 0.04 0.28 0.13 -0.13 0.00 0.00 0.00 174.94 175.26 2b7f s ARG 77 N 1.87 3.98 0.38 2.79 0.52 0.23 -1.02 118.95 127.69 2b7f s ARG 77 Ca 0.04 -0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.10 2b7f s ARG 77 Cb -0.12 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 2b7f s ARG 77 CO -0.06 0.42 0.54 -0.51 0.02 0.00 0.00 175.30 175.71 2b7f s LEU 78 N -0.00 3.82 0.17 2.53 1.43 -1.26 -0.76 118.68 124.61 2b7f s LEU 78 Ca 0.09 -0.16 -0.34 0.00 -1.03 0.00 0.00 54.13 52.70 2b7f s LEU 78 Cb -0.11 -2.80 -0.14 0.00 0.03 0.00 0.00 46.19 43.17 2b7f s LEU 78 CO -0.00 -0.58 1.52 -2.65 0.23 0.00 0.00 176.35 174.86 2b7f n PRO 79 N -1.79 2.02 -1.99 1.29 -0.02 -1.25 -2.50 135.00 130.76 2b7f n PRO 79 Ca 0.02 0.73 -0.06 0.00 -2.02 0.00 0.00 63.50 62.17 2b7f n PRO 79 Cb 0.58 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2b7f n PRO 79 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2b7f n PHE 80 N 3.02 -0.24 -3.99 6.00 3.72 -1.26 -5.04 117.46 119.67 2b7f n PHE 80 Ca 0.16 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.32 2b7f n PHE 80 Cb 0.28 -1.75 -0.17 0.00 -0.94 0.00 0.00 39.48 36.91 2b7f n PHE 80 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2b7f s ARG 81 N -4.05 1.05 0.20 -1.08 1.81 -1.04 -5.01 118.95 110.84 2b7f s ARG 81 Ca 0.00 -0.11 -0.03 0.00 -1.72 0.00 0.00 55.73 53.87 2b7f s ARG 81 Cb 0.00 -1.17 0.16 0.00 -0.45 0.00 0.00 34.95 33.49 2b7f s ARG 81 CO 0.00 -0.20 1.55 1.79 -0.68 0.00 0.00 175.30 177.76 2b7f h THR 82 N 6.20 1.30 -3.38 0.02 1.35 -1.96 -3.42 112.91 113.02 2b7f h THR 82 Ca -0.28 -1.63 -0.58 0.00 -0.55 0.00 0.00 66.41 63.36 2b7f h THR 82 Cb 1.14 1.60 -0.08 0.00 -1.73 0.00 0.00 68.15 69.07 2b7f h THR 82 CO 0.38 0.52 -0.04 -0.89 -0.25 0.00 0.00 175.52 175.23 2b7f s THR 83 N -4.19 5.12 0.13 6.82 2.01 -1.26 -5.02 115.64 119.26 2b7f s THR 83 Ca -0.08 1.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.78 2b7f s THR 83 Cb 0.12 -3.87 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 2b7f s THR 83 CO 0.83 0.24 0.64 -2.16 -0.69 0.00 0.00 174.62 173.49 2b7f s PRO 84 N 1.10 4.24 0.30 4.92 0.04 -1.26 -4.80 135.00 139.55 2b7f s PRO 84 Ca 0.27 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 2b7f s PRO 84 Cb -0.16 -3.12 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 2b7f s PRO 84 CO 0.11 0.55 1.53 -0.89 0.04 0.00 0.00 177.00 178.34 2b7f n ILE 85 N 1.33 1.21 -4.16 0.56 5.41 -0.19 -4.84 119.36 118.69 2b7f n ILE 85 Ca -0.07 -0.30 -0.33 0.00 1.00 0.00 0.00 62.75 63.05 2b7f n ILE 85 Cb 0.51 -1.86 -0.16 0.00 -0.71 0.00 0.00 39.64 37.42 2b7f n ILE 85 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2b7f s VAL 86 N -0.24 2.25 -0.23 1.39 1.01 -1.26 -1.86 120.40 121.45 2b7f s VAL 86 Ca 0.63 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 2b7f s VAL 86 Cb -0.52 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2b7f s VAL 86 CO 0.52 0.53 -0.04 -0.76 0.00 0.00 0.00 175.10 175.35 2b7f s LEU 87 N 1.25 3.03 0.19 3.92 1.43 -0.35 -4.97 118.68 123.19 2b7f s LEU 87 Ca 0.04 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2b7f s LEU 87 Cb -0.13 -1.73 0.20 0.00 0.03 0.00 0.00 46.19 44.55 2b7f s LEU 87 CO -0.10 -0.06 1.73 0.74 0.23 0.00 0.00 176.35 178.89 2b7f h THR 88 N 5.81 0.77 -3.38 5.49 2.02 -1.94 -0.74 112.91 120.94 2b7f h THR 88 Ca -0.39 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 2b7f h THR 88 Cb 1.15 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 2b7f h THR 88 CO 0.60 0.06 0.06 -0.94 0.37 0.00 0.00 175.52 175.66 2b7f s SER 89 N -5.35 -0.00 0.33 4.18 1.04 -1.26 -3.30 113.70 109.34 2b7f s SER 89 Ca -0.13 -0.94 -0.15 0.00 0.48 0.00 0.00 55.95 55.21 2b7f s SER 89 Cb 0.15 0.69 0.03 0.00 0.10 0.00 0.00 66.02 67.00 2b7f s SER 89 CO 0.73 -1.33 0.70 0.00 0.98 0.00 0.00 173.24 174.32 2b7f s LEU 91 N -3.04 3.95 -0.12 0.00 1.43 -0.39 -1.63 118.68 118.88 2b7f s LEU 91 Ca 0.17 1.61 0.02 0.00 -1.03 0.00 0.00 54.13 54.90 2b7f s LEU 91 Cb -0.04 -4.45 0.01 0.00 0.03 0.00 0.00 46.19 41.74 2b7f s LEU 91 CO 0.11 -0.34 -0.20 -0.69 0.23 0.00 0.00 176.35 175.46 2b7f s VAL 92 N -2.16 1.86 -0.44 -1.59 1.01 0.65 -1.46 120.40 118.28 2b7f s VAL 92 Ca 0.60 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 2b7f s VAL 92 Cb -0.09 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2b7f s VAL 92 CO 0.14 0.51 0.66 -0.62 0.00 0.00 0.00 175.10 175.79 2b7f s ASP 93 N 0.80 6.33 0.59 3.32 2.15 0.23 -1.31 116.67 128.78 2b7f s ASP 93 Ca -0.09 -0.33 0.31 0.00 0.43 0.00 0.00 52.55 52.88 2b7f s ASP 93 Cb -0.16 -2.33 1.87 0.00 -0.30 0.00 0.00 42.92 42.01 2b7f s ASP 93 CO -0.00 -0.79 2.26 0.74 -0.17 0.00 0.00 175.17 177.20 2b7f h THR 94 N 5.89 0.46 -0.10 1.71 2.02 -1.76 0.25 112.91 121.39 2b7f h THR 94 Ca -0.25 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2b7f h THR 94 Cb 1.09 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2b7f h THR 94 CO 0.90 0.01 0.00 0.29 0.37 0.00 0.00 175.52 177.09 2b7f n LYS 95 N -3.73 1.95 -3.26 6.66 5.02 -1.26 -4.84 118.16 118.70 2b7f n LYS 95 Ca -0.03 -1.81 -0.24 0.00 -2.02 0.00 0.00 58.31 54.21 2b7f n LYS 95 Cb 0.09 -1.40 0.04 0.00 -0.02 0.00 0.00 35.03 33.74 2b7f n LYS 95 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b7f n ASN 96 N 1.18 -5.66 0.02 4.39 3.02 -1.06 -4.91 115.26 112.24 2b7f n ASN 96 Ca 0.13 -0.39 -0.10 0.00 -0.03 0.00 0.00 54.58 54.19 2b7f n ASN 96 Cb 0.52 -4.56 -0.13 0.00 -0.61 0.00 0.00 39.78 35.00 2b7f n ASN 96 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2b7f h ASN 97 N -1.62 0.09 -3.98 6.41 4.21 -1.94 -3.49 115.58 115.26 2b7f h ASN 97 Ca -0.53 -0.13 -0.53 0.00 1.21 0.00 0.00 56.30 56.32 2b7f h ASN 97 Cb 1.36 -0.03 -0.31 0.00 -1.12 0.00 0.00 38.32 38.22 2b7f h ASN 97 CO 0.57 1.11 -0.82 0.26 -1.29 0.00 0.00 177.43 177.26 2b7f s TRP 98 N -2.64 1.50 -0.17 1.19 0.52 -1.26 -5.09 118.94 112.98 2b7f s TRP 98 Ca -0.04 -0.38 -0.00 0.00 0.02 0.00 0.00 56.10 55.69 2b7f s TRP 98 Cb 0.08 -1.01 0.04 0.00 -1.15 0.00 0.00 33.47 31.44 2b7f s TRP 98 CO 0.83 -0.12 -0.08 0.00 0.02 0.00 0.00 176.95 177.61 2b7f s ALA 99 N -0.04 1.64 -0.08 0.98 0.00 -1.26 -3.34 121.76 119.65 2b7f s ALA 99 Ca -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 2b7f s ALA 99 Cb -0.10 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2b7f s ALA 99 CO 0.01 -0.73 -0.04 0.42 0.00 0.00 0.00 175.76 175.42 2b7f s ILE 100 N 1.56 0.68 -0.36 0.00 1.01 -0.74 0.39 121.20 123.74 2b7f s ILE 100 Ca 0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.35 2b7f s ILE 100 Cb -0.15 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.57 2b7f s ILE 100 CO -0.08 0.30 0.71 -0.63 0.00 0.00 0.00 174.94 175.24 2b7f s ILE 101 N 1.71 4.81 0.11 2.92 1.01 0.24 -1.27 121.20 130.72 2b7f s ILE 101 Ca 0.03 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.45 2b7f s ILE 101 Cb -0.13 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.22 2b7f s ILE 101 CO -0.05 -0.36 0.12 0.61 0.00 0.00 0.00 174.94 175.25 2b7f n GLY 102 N 4.58 2.46 0.24 6.18 0.00 -1.26 -1.02 105.19 116.37 2b7f n GLY 102 Ca 0.01 -2.17 0.08 0.00 0.00 0.00 0.00 46.02 43.94 2b7f n GLY 102 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2b7f h ARG 103 N 0.00 0.00 -0.22 1.61 3.08 -1.00 -0.78 114.38 117.07 2b7f h ARG 103 Ca -0.06 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.01 2b7f h ARG 103 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 2b7f h ARG 103 CO 0.09 0.13 0.08 0.38 -1.07 0.00 0.00 179.97 179.59 2b7f h ASP 104 N 0.00 0.11 -0.02 7.04 3.04 -1.80 -0.62 116.42 124.18 2b7f h ASP 104 Ca -0.00 0.02 -0.19 0.00 -3.24 0.00 0.00 57.03 53.62 2b7f h ASP 104 Cb 0.27 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.56 2b7f h ASP 104 CO 0.02 0.09 -0.67 0.00 -2.04 0.00 0.00 179.24 176.64 2b7f h ALA 105 N 1.13 0.51 0.00 4.15 0.00 -1.63 -3.07 119.26 120.35 2b7f h ALA 105 Ca 0.09 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.33 2b7f h ALA 105 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2b7f h ALA 105 CO -0.09 0.71 -0.48 -0.07 0.00 0.00 0.00 179.25 179.32 2b7f h LEU 106 N 0.46 0.00 -0.58 0.00 3.38 -0.98 -2.47 115.31 115.12 2b7f h LEU 106 Ca -0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2b7f h LEU 106 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 2b7f h LEU 106 CO 0.13 0.48 0.37 -0.61 0.09 0.00 0.00 178.44 178.90 2b7f h GLN 107 N 0.00 0.73 0.00 1.13 4.15 -1.01 -1.04 115.11 119.06 2b7f h GLN 107 Ca -0.00 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 2b7f h GLN 107 Cb 0.98 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2b7f h GLN 107 CO 0.06 0.48 -0.27 1.96 -1.93 0.00 0.00 178.83 179.13 2b7f h GLN 108 N 0.75 0.00 0.00 1.69 4.20 -1.46 0.93 115.11 121.23 2b7f h GLN 108 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 2b7f h GLN 108 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2b7f h GLN 108 CO -0.06 0.27 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 2b7f n GLN 110 N -1.30 -4.38 -2.21 0.00 6.02 0.32 -4.96 117.38 110.87 2b7f n GLN 110 Ca 0.13 0.54 -0.33 0.00 -0.01 0.00 0.00 57.00 57.32 2b7f n GLN 110 Cb 0.23 -4.99 -0.00 0.00 1.02 0.00 0.00 30.24 26.49 2b7f n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2b7f s GLY 111 N -4.22 2.31 0.07 1.08 0.00 -0.48 -5.03 107.32 101.05 2b7f s GLY 111 Ca 0.10 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.36 2b7f s GLY 111 CO 0.84 0.85 -0.08 -1.34 0.00 0.00 0.00 173.10 173.37 2b7f s VAL 112 N -2.21 0.70 0.34 1.40 -7.23 -1.26 -4.83 120.40 107.30 2b7f s VAL 112 Ca 0.66 -1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 59.30 2b7f s VAL 112 Cb -0.17 -1.10 -0.06 0.00 0.56 0.00 0.00 36.38 35.61 2b7f s VAL 112 CO 0.31 -0.55 0.65 -0.76 -0.31 0.00 0.00 175.10 174.44 2b7f s LEU 113 N -2.19 3.95 -0.05 1.32 1.43 -1.26 -5.09 118.68 116.79 2b7f s LEU 113 Ca -0.00 0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 54.00 2b7f s LEU 113 Cb -0.04 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.45 2b7f s LEU 113 CO -0.01 -0.29 -0.01 -0.47 0.23 0.00 0.00 176.35 175.79 2b7f s TYR 114 N -2.22 0.58 -0.30 0.29 5.04 -1.26 -5.12 117.35 114.37 2b7f s TYR 114 Ca 0.47 -0.12 0.01 0.00 -2.44 0.00 0.00 57.07 54.99 2b7f s TYR 114 Cb -0.10 -0.64 0.07 0.00 0.35 0.00 0.00 41.96 41.63 2b7f s TYR 114 CO 0.31 -0.22 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.76 2b7f s LEU 115 N 1.35 3.99 0.00 6.97 1.02 -1.26 -5.16 118.68 125.58 2b7f s LEU 115 Ca -0.05 -1.55 0.00 0.00 0.02 0.00 0.00 54.13 52.55 2b7f s LEU 115 Cb -0.13 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.44 2b7f s LEU 115 CO -0.02 -0.28 0.45 -2.65 0.02 0.00 0.00 176.35 173.87