#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4f n LYS 7 N 0.00 2.08 -3.22 0.11 4.76 -1.26 -4.60 118.16 116.03 3f4f n LYS 7 Ca 0.00 -1.26 -0.39 0.00 -2.87 0.00 0.00 58.31 53.79 3f4f n LYS 7 Cb 0.00 -0.98 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 3f4f n LYS 7 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3f4f s VAL 8 N -0.76 5.11 -0.36 -0.18 1.01 -1.26 -4.93 120.40 119.03 3f4f s VAL 8 Ca 0.00 1.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 3f4f s VAL 8 Cb 0.00 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3f4f s VAL 8 CO 0.00 0.22 0.17 -0.22 0.00 0.00 0.00 175.10 175.27 3f4f s LEU 9 N 1.24 4.55 -0.10 3.92 2.96 -1.26 -3.44 118.68 126.55 3f4f s LEU 9 Ca 0.27 -1.01 -0.19 0.00 -0.22 0.00 0.00 54.13 52.98 3f4f s LEU 9 Cb -0.16 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 3f4f s LEU 9 CO 0.11 -0.35 0.53 -0.54 -1.32 0.00 0.00 176.35 174.78 3f4f s LYS 10 N 1.51 4.35 -0.08 1.98 1.02 -0.86 -4.94 119.74 122.71 3f4f s LYS 10 Ca 0.01 0.56 0.05 0.00 0.02 0.00 0.00 55.97 56.60 3f4f s LYS 10 Cb -0.19 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.69 3f4f s LYS 10 CO 0.05 0.16 -0.23 0.42 -0.92 0.00 0.00 175.35 174.84 3f4f s ILE 11 N 0.57 1.95 -0.16 2.17 -1.09 -1.26 -0.96 121.20 122.42 3f4f s ILE 11 Ca 0.29 -0.98 -0.04 0.00 -2.23 0.00 0.00 60.65 57.69 3f4f s ILE 11 Cb -0.16 -1.68 -0.03 0.00 -1.58 0.00 0.00 42.46 39.02 3f4f s ILE 11 CO 0.12 0.54 -0.04 -1.58 -1.23 0.00 0.00 174.94 172.76 3f4f s GLN 12 N 0.19 3.64 -0.36 2.79 0.74 0.10 -4.99 119.66 121.76 3f4f s GLN 12 Ca -0.13 -0.53 -0.16 0.00 0.05 0.00 0.00 55.36 54.58 3f4f s GLN 12 Cb -0.16 -2.93 -0.00 0.00 1.10 0.00 0.00 33.01 31.01 3f4f s GLN 12 CO 0.07 0.18 0.42 -0.51 -0.55 0.00 0.00 175.29 174.90 3f4f s LEU 13 N 0.51 4.52 0.24 3.68 1.43 -1.26 -1.54 118.68 126.27 3f4f s LEU 13 Ca -0.03 -0.30 0.25 0.00 -1.03 0.00 0.00 54.13 53.02 3f4f s LEU 13 Cb -0.14 -2.41 0.51 0.00 0.03 0.00 0.00 46.19 44.18 3f4f s LEU 13 CO 0.03 -0.43 1.56 0.03 0.23 0.00 0.00 176.35 177.76 3f4f h ARG 14 N 8.53 0.00 -3.23 1.70 3.08 -1.18 -3.48 114.38 119.80 3f4f h ARG 14 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3f4f h ARG 14 Cb 1.13 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 3f4f h ARG 14 CO 0.74 0.00 0.12 -1.54 -1.07 0.00 0.00 179.97 178.22 3f4f s SER 15 N -4.92 -0.10 0.45 7.04 1.04 -1.25 -5.02 113.70 110.94 3f4f s SER 15 Ca 0.08 -0.84 0.31 0.00 0.48 0.00 0.00 55.95 55.97 3f4f s SER 15 Cb 0.11 0.71 1.35 0.00 0.10 0.00 0.00 66.02 68.28 3f4f s SER 15 CO 0.66 -1.36 1.91 0.00 0.98 0.00 0.00 173.24 175.44 3f4f h ALA 16 N 2.07 1.00 0.00 5.32 0.00 -1.95 -2.84 119.26 122.86 3f4f h ALA 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3f4f h ALA 16 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3f4f h ALA 16 CO 0.30 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.98 3f4f n SER 17 N -2.74 0.69 -4.81 0.00 7.64 -1.26 -4.86 113.62 108.29 3f4f n SER 17 Ca 0.01 0.58 -0.33 0.00 1.01 0.00 0.00 58.87 60.13 3f4f n SER 17 Cb 0.23 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 3f4f n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f4f s ALA 18 N -3.11 2.85 -0.07 -0.43 0.00 -1.07 -4.44 121.76 115.49 3f4f s ALA 18 Ca 0.10 0.45 0.05 0.00 0.00 0.00 0.00 51.96 52.56 3f4f s ALA 18 Cb 0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 3f4f s ALA 18 CO 0.56 -0.49 -0.22 0.99 0.00 0.00 0.00 175.76 176.60 3f4f s THR 19 N -2.28 2.28 0.03 0.00 2.01 -1.26 -5.01 115.64 111.41 3f4f s THR 19 Ca 0.64 -0.98 -0.34 0.00 0.31 0.00 0.00 61.69 61.32 3f4f s THR 19 Cb -0.15 -1.85 -0.12 0.00 0.01 0.00 0.00 72.50 70.38 3f4f s THR 19 CO 0.28 0.57 1.76 0.52 -0.69 0.00 0.00 174.62 177.07 3f4f n VAL 20 N 2.95 0.35 -1.68 3.82 0.31 -1.26 -4.74 118.33 118.07 3f4f n VAL 20 Ca -0.17 -0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 63.70 3f4f n VAL 20 Cb 0.52 -1.78 0.03 0.00 -0.91 0.00 0.00 33.84 31.70 3f4f n VAL 20 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3f4f n PRO 21 N 5.36 1.58 -4.57 5.55 -0.02 -1.26 -4.99 135.00 136.64 3f4f n PRO 21 Ca 0.20 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.98 3f4f n PRO 21 Cb 0.30 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 3f4f n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3f4f s THR 22 N -1.30 1.93 -0.25 3.45 -4.23 -1.16 -4.87 115.64 109.21 3f4f s THR 22 Ca 0.67 -1.45 -0.19 0.00 -1.18 0.00 0.00 61.69 59.55 3f4f s THR 22 Cb -0.47 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 3f4f s THR 22 CO 0.53 0.16 0.54 -0.75 -0.54 0.00 0.00 174.62 174.57 3f4f s LYS 23 N -1.55 4.09 0.00 3.99 2.20 -1.26 -0.31 119.74 126.90 3f4f s LYS 23 Ca 0.10 0.39 0.28 0.00 -0.36 0.00 0.00 55.97 56.37 3f4f s LYS 23 Cb -0.10 -3.64 1.02 0.00 -1.51 0.00 0.00 37.83 33.60 3f4f s LYS 23 CO 0.03 -0.34 1.75 0.41 -0.36 0.00 0.00 175.35 176.84 3f4f n GLY 24 N 4.27 -1.12 3.68 5.54 0.00 -1.26 -4.88 105.19 111.42 3f4f n GLY 24 Ca -0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 3f4f n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f4f s SER 25 N -2.72 -0.21 0.20 1.61 1.04 -1.26 -5.01 113.70 107.34 3f4f s SER 25 Ca 0.21 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.25 3f4f s SER 25 Cb 0.19 0.43 0.25 0.00 0.10 0.00 0.00 66.02 66.99 3f4f s SER 25 CO 0.55 -0.77 1.70 0.00 0.98 0.00 0.00 173.24 175.69 3f4f h ALA 26 N 2.00 0.62 -0.27 5.32 0.00 -2.03 -2.80 119.26 122.10 3f4f h ALA 26 Ca -0.24 0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 3f4f h ALA 26 Cb 1.23 0.20 -0.21 0.00 0.00 0.00 0.00 17.79 19.01 3f4f h ALA 26 CO 0.27 -0.33 -0.71 0.25 0.00 0.00 0.00 179.25 178.73 3f4f n THR 27 N -5.16 1.98 -1.52 0.00 -2.24 -1.26 -5.07 114.28 101.01 3f4f n THR 27 Ca 0.07 -3.27 -0.44 0.00 -2.27 0.00 0.00 64.05 58.15 3f4f n THR 27 Cb 0.30 -0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 3f4f n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f4f n ALA 28 N -0.76 -1.03 -0.04 6.98 0.00 -1.06 -4.90 120.51 119.70 3f4f n ALA 28 Ca 0.24 0.33 -0.02 0.00 0.00 0.00 0.00 53.44 53.99 3f4f n ALA 28 Cb 0.84 -1.88 0.23 0.00 0.00 0.00 0.00 19.45 18.63 3f4f n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f4f h ALA 29 N 1.47 1.22 -2.49 0.00 0.00 -1.97 -3.48 119.26 114.01 3f4f h ALA 29 Ca -0.38 -0.25 -0.44 0.00 0.00 0.00 0.00 54.91 53.85 3f4f h ALA 29 Cb 1.37 -0.16 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 3f4f h ALA 29 CO 0.57 0.51 -0.53 0.20 0.00 0.00 0.00 179.25 180.00 3f4f s GLY 30 N -3.82 2.18 -0.06 0.00 0.00 -1.26 -4.49 107.32 99.86 3f4f s GLY 30 Ca -0.08 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.87 3f4f s GLY 30 CO 0.79 -1.56 -0.14 -0.19 0.00 0.00 0.00 173.10 172.00 3f4f s TYR 31 N -3.55 2.73 0.22 1.90 1.51 0.07 -4.41 117.35 115.83 3f4f s TYR 31 Ca 0.36 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.90 3f4f s TYR 31 Cb 0.04 -1.67 -0.10 0.00 -0.11 0.00 0.00 41.96 40.12 3f4f s TYR 31 CO 0.20 0.13 1.45 -0.51 -1.11 0.00 0.00 175.55 175.72 3f4f s ASP 32 N -0.56 6.67 -0.17 2.29 1.01 0.57 0.16 116.67 126.63 3f4f s ASP 32 Ca 0.08 2.61 -0.05 0.00 0.71 0.00 0.00 52.55 55.90 3f4f s ASP 32 Cb -0.11 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.17 3f4f s ASP 32 CO 0.01 -0.71 -0.01 -0.63 0.21 0.00 0.00 175.17 174.05 3f4f s ILE 33 N 0.33 4.06 -0.12 0.77 -1.09 -0.33 -2.99 121.20 121.83 3f4f s ILE 33 Ca 0.62 -0.29 -0.04 0.00 -2.23 0.00 0.00 60.65 58.71 3f4f s ILE 33 Cb -0.41 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 3f4f s ILE 33 CO 0.39 0.47 0.01 -0.31 -1.23 0.00 0.00 174.94 174.27 3f4f s TYR 34 N 0.58 3.18 0.40 3.97 2.02 -1.26 -1.02 117.35 125.22 3f4f s TYR 34 Ca -0.01 0.10 -0.27 0.00 -0.37 0.00 0.00 57.07 56.51 3f4f s TYR 34 Cb -0.14 -1.89 -0.10 0.00 -0.40 0.00 0.00 41.96 39.43 3f4f s TYR 34 CO 0.02 0.33 1.47 0.00 -1.57 0.00 0.00 175.55 175.80 3f4f s ALA 35 N -0.40 3.46 -1.99 3.71 0.00 -0.37 -4.55 121.76 121.62 3f4f s ALA 35 Ca 0.08 1.55 0.18 0.00 0.00 0.00 0.00 51.96 53.76 3f4f s ALA 35 Cb -0.12 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.48 3f4f s ALA 35 CO 0.02 -1.12 1.00 -1.13 0.00 0.00 0.00 175.76 174.53 3f4f n SER 36 N 0.21 2.19 -3.68 0.00 3.41 -0.11 -0.30 113.62 115.35 3f4f n SER 36 Ca 0.02 -1.60 -0.14 0.00 -0.26 0.00 0.00 58.87 56.90 3f4f n SER 36 Cb 0.40 0.18 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 3f4f n SER 36 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3f4f s GLN 37 N -1.68 0.69 0.50 4.33 0.74 -1.26 -4.82 119.66 118.16 3f4f s GLN 37 Ca 0.18 0.56 -0.23 0.00 0.05 0.00 0.00 55.36 55.93 3f4f s GLN 37 Cb 0.15 0.33 -0.07 0.00 1.10 0.00 0.00 33.01 34.52 3f4f s GLN 37 CO 0.30 -0.12 1.28 -0.25 -0.55 0.00 0.00 175.29 175.95 3f4f n ASP 38 N 2.34 2.44 -3.55 6.67 8.00 -1.26 -4.15 116.55 127.05 3f4f n ASP 38 Ca -0.15 1.02 -0.16 0.00 0.71 0.00 0.00 54.79 56.21 3f4f n ASP 38 Cb 0.56 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.08 3f4f n ASP 38 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3f4f s ILE 39 N -1.28 0.00 -0.15 0.53 2.07 -0.49 -4.92 121.20 116.96 3f4f s ILE 39 Ca 0.67 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.88 3f4f s ILE 39 Cb -0.45 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.11 3f4f s ILE 39 CO 0.53 0.00 -0.02 -0.89 -1.91 0.00 0.00 174.94 172.65 3f4f s THR 40 N -0.97 4.07 -0.34 4.00 2.01 -1.26 -0.59 115.64 122.57 3f4f s THR 40 Ca -0.07 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 3f4f s THR 40 Cb -0.01 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.71 3f4f s THR 40 CO 0.07 0.51 0.44 -0.63 -0.69 0.00 0.00 174.62 174.31 3f4f s ILE 41 N 0.17 5.09 0.50 1.82 -1.09 -0.13 -4.89 121.20 122.67 3f4f s ILE 41 Ca -0.00 0.26 -0.21 0.00 -2.23 0.00 0.00 60.65 58.47 3f4f s ILE 41 Cb -0.13 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.80 3f4f s ILE 41 CO 0.02 -0.12 1.15 -2.84 -1.23 0.00 0.00 174.94 171.92 3f4f s PRO 42 N 2.21 3.54 0.24 2.79 0.02 -1.26 -0.64 135.00 141.90 3f4f s PRO 42 Ca 0.16 1.70 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 3f4f s PRO 42 Cb -0.16 -2.20 -0.14 0.00 0.02 0.00 0.00 34.50 32.02 3f4f s PRO 42 CO 0.12 -0.71 1.17 0.00 -0.33 0.00 0.00 177.00 177.25 3f4f n ALA 43 N -0.91 -0.03 -4.10 -1.55 0.00 -1.26 -1.40 120.51 111.26 3f4f n ALA 43 Ca 0.10 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.65 3f4f n ALA 43 Cb 0.49 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 3f4f n ALA 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3f4f n MET 44 N 1.38 -2.95 0.00 0.00 2.81 -0.38 -4.86 117.12 113.13 3f4f n MET 44 Ca 0.12 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 3f4f n MET 44 Cb 0.29 -4.62 0.00 0.00 -0.71 0.00 0.00 33.22 28.18 3f4f n MET 44 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3f4f n GLY 45 N -1.84 4.10 3.68 3.03 0.00 -0.49 -5.00 105.19 108.67 3f4f n GLY 45 Ca -0.17 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 3f4f n GLY 45 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3f4f s GLN 46 N 1.41 1.58 0.20 1.61 -2.07 -1.26 -1.23 119.66 119.91 3f4f s GLN 46 Ca 0.00 -0.85 -0.16 0.00 -1.82 0.00 0.00 55.36 52.53 3f4f s GLN 46 Cb 0.00 0.58 0.06 0.00 -1.09 0.00 0.00 33.01 32.56 3f4f s GLN 46 CO 0.00 -0.71 0.81 0.41 -1.32 0.00 0.00 175.29 174.48 3f4f n GLY 47 N -0.42 0.83 3.06 2.60 0.00 -0.41 -4.46 105.19 106.40 3f4f n GLY 47 Ca -0.08 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 3f4f n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3f4f s MET 48 N -2.05 2.47 -0.12 1.61 -1.94 -1.26 -1.18 119.30 116.82 3f4f s MET 48 Ca 0.18 -0.63 -0.18 0.00 -1.71 0.00 0.00 55.69 53.34 3f4f s MET 48 Cb -0.03 -2.17 -0.04 0.00 2.01 0.00 0.00 34.83 34.60 3f4f s MET 48 CO 0.06 -0.17 0.47 0.08 -0.01 0.00 0.00 175.02 175.46 3f4f s VAL 49 N 1.26 5.19 0.42 -6.03 1.01 0.14 -4.89 120.40 117.51 3f4f s VAL 49 Ca 0.01 0.94 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 3f4f s VAL 49 Cb -0.14 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 3f4f s VAL 49 CO -0.08 0.32 1.11 -0.44 0.00 0.00 0.00 175.10 176.01 3f4f s SER 50 N 0.65 6.48 0.00 3.32 0.01 -1.26 -1.29 113.70 121.60 3f4f s SER 50 Ca 0.26 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.71 3f4f s SER 50 Cb -0.15 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.48 3f4f s SER 50 CO 0.10 -0.70 0.00 0.35 0.41 0.00 0.00 173.24 173.40 3f4f n THR 51 N -0.23 0.00 -2.68 1.44 -2.24 -1.25 -0.93 114.28 108.39 3f4f n THR 51 Ca 0.06 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.66 3f4f n THR 51 Cb 0.49 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3f4f n THR 51 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3f4f n ASP 52 N -1.52 -4.67 -4.29 3.42 8.00 -1.26 -4.35 116.55 111.88 3f4f n ASP 52 Ca 0.00 -0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.25 3f4f n ASP 52 Cb 0.15 -3.89 -0.12 0.00 -0.02 0.00 0.00 41.12 37.23 3f4f n ASP 52 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3f4f s ILE 53 N -2.85 1.70 0.11 0.53 -4.36 -1.26 -0.54 121.20 114.54 3f4f s ILE 53 Ca 0.11 -1.64 0.08 0.00 -0.26 0.00 0.00 60.65 58.94 3f4f s ILE 53 Cb -0.06 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 3f4f s ILE 53 CO 0.14 -0.15 -0.19 -0.44 0.24 0.00 0.00 174.94 174.54 3f4f s SER 54 N -2.13 2.40 0.09 4.36 0.01 -0.59 -0.93 113.70 116.91 3f4f s SER 54 Ca 0.09 -0.72 -0.09 0.00 1.31 0.00 0.00 55.95 56.53 3f4f s SER 54 Cb -0.09 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.02 3f4f s SER 54 CO 0.05 0.01 0.21 0.72 0.41 0.00 0.00 173.24 174.63 3f4f s PHE 55 N -1.42 0.11 -0.25 2.43 -0.71 -1.26 0.01 117.98 116.89 3f4f s PHE 55 Ca 0.07 -0.51 0.03 0.00 -1.04 0.00 0.00 56.93 55.48 3f4f s PHE 55 Cb -0.09 -0.03 0.06 0.00 -1.21 0.00 0.00 43.02 41.75 3f4f s PHE 55 CO 0.04 -0.55 -0.12 0.99 -1.34 0.00 0.00 175.22 174.25 3f4f s THR 56 N -3.72 2.15 0.74 -4.49 2.01 -0.13 -4.79 115.64 107.41 3f4f s THR 56 Ca 0.04 -1.55 -0.11 0.00 0.31 0.00 0.00 61.69 60.38 3f4f s THR 56 Cb 0.04 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.36 3f4f s THR 56 CO -0.10 0.04 1.08 0.68 -0.69 0.00 0.00 174.62 175.62 3f4f s VAL 57 N 1.12 3.63 0.72 3.82 -7.23 -1.26 -2.03 120.40 119.17 3f4f s VAL 57 Ca -0.07 0.53 -0.16 0.00 -1.81 0.00 0.00 61.98 60.47 3f4f s VAL 57 Cb -0.19 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.63 3f4f s VAL 57 CO -0.06 -0.69 1.10 -2.65 -0.31 0.00 0.00 175.10 172.49 3f4f n PRO 58 N -3.35 0.58 -1.73 4.82 -0.02 -1.22 -4.92 135.00 129.15 3f4f n PRO 58 Ca 0.08 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 3f4f n PRO 58 Cb 0.53 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3f4f n PRO 58 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3f4f n VAL 59 N -2.55 1.59 -0.48 -1.45 0.31 -1.26 -2.12 118.33 112.37 3f4f n VAL 59 Ca 0.14 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3f4f n VAL 59 Cb 0.49 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 3f4f n VAL 59 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3f4f n GLY 60 N 1.23 0.75 3.41 2.92 0.00 -1.26 -4.19 105.19 108.05 3f4f n GLY 60 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3f4f n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3f4f s THR 61 N -2.50 1.03 0.26 2.61 -4.23 -0.90 -1.32 115.64 110.58 3f4f s THR 61 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 3f4f s THR 61 Cb 0.00 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 3f4f s THR 61 CO 0.00 -0.01 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.33 3f4f s TYR 62 N -3.41 1.72 -0.38 3.99 1.13 -0.87 -4.62 117.35 114.90 3f4f s TYR 62 Ca 0.37 -0.86 -0.17 0.00 -1.41 0.00 0.00 57.07 55.00 3f4f s TYR 62 Cb 0.08 -1.01 0.01 0.00 -1.10 0.00 0.00 41.96 39.94 3f4f s TYR 62 CO 0.15 0.06 0.42 0.20 -2.51 0.00 0.00 175.55 173.87 3f4f s GLY 63 N -3.37 1.88 -0.18 5.49 0.00 -0.77 -1.95 107.32 108.43 3f4f s GLY 63 Ca 0.30 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 43.53 3f4f s GLY 63 CO 0.10 1.12 0.42 -1.60 0.00 0.00 0.00 173.10 173.14 3f4f s ARG 64 N 2.15 4.22 -0.37 2.90 3.52 0.40 -0.01 118.95 131.75 3f4f s ARG 64 Ca 0.13 0.26 -0.22 0.00 -0.13 0.00 0.00 55.73 55.77 3f4f s ARG 64 Cb -0.17 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.73 3f4f s ARG 64 CO 0.13 0.02 0.75 0.42 -0.81 0.00 0.00 175.30 175.80 3f4f s ILE 65 N 1.12 4.77 0.24 4.11 -1.09 -0.09 -0.67 121.20 129.58 3f4f s ILE 65 Ca 0.21 0.77 0.11 0.00 -2.23 0.00 0.00 60.65 59.51 3f4f s ILE 65 Cb -0.15 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.50 3f4f s ILE 65 CO 0.08 -0.43 -0.20 0.00 -1.23 0.00 0.00 174.94 173.16 3f4f s ALA 66 N 3.01 2.54 0.45 9.38 0.00 0.57 -4.66 121.76 133.06 3f4f s ALA 66 Ca 0.29 -1.76 -0.24 0.00 0.00 0.00 0.00 51.96 50.25 3f4f s ALA 66 Cb -0.13 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.66 3f4f s ALA 66 CO 0.17 0.29 1.27 -2.14 0.00 0.00 0.00 175.76 175.35 3f4f s PRO 67 N -3.25 3.73 -0.18 0.00 0.02 -1.26 -0.53 135.00 133.53 3f4f s PRO 67 Ca 0.25 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 63.05 3f4f s PRO 67 Cb -0.05 -2.55 -0.00 0.00 0.02 0.00 0.00 34.50 31.92 3f4f s PRO 67 CO 0.12 -0.66 1.01 0.50 -0.33 0.00 0.00 177.00 177.64 3f4f s ARG 68 N -2.52 4.32 0.16 5.54 3.52 -1.26 -4.54 118.95 124.18 3f4f s ARG 68 Ca 0.62 1.34 -0.16 0.00 -0.13 0.00 0.00 55.73 57.40 3f4f s ARG 68 Cb -0.36 -3.60 0.09 0.00 -1.56 0.00 0.00 34.95 29.53 3f4f s ARG 68 CO 0.44 -0.49 1.73 0.66 -0.81 0.00 0.00 175.30 176.84 3f4f h SER 69 N 7.31 0.05 -0.75 -2.12 4.64 -1.97 -2.62 113.55 118.10 3f4f h SER 69 Ca -0.24 0.06 0.12 0.00 -0.47 0.00 0.00 61.79 61.25 3f4f h SER 69 Cb 1.10 0.07 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 3f4f h SER 69 CO 0.92 0.06 0.50 1.23 -0.87 0.00 0.00 176.83 178.67 3f4f h GLY 70 N 0.23 0.85 1.97 -0.77 0.00 -1.99 -2.25 103.07 101.11 3f4f h GLY 70 Ca 0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.16 3f4f h GLY 70 CO -0.22 0.11 -0.55 1.41 0.00 0.00 0.00 176.54 177.29 3f4f h LEU 71 N 0.55 0.03 0.17 3.11 3.38 -1.82 -0.34 115.31 120.40 3f4f h LEU 71 Ca 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3f4f h LEU 71 Cb 0.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3f4f h LEU 71 CO -0.13 0.57 -0.08 0.00 0.09 0.00 0.00 178.44 178.89 3f4f h ALA 72 N 1.43 -0.23 0.10 1.53 0.00 -1.38 -1.21 119.26 119.49 3f4f h ALA 72 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3f4f h ALA 72 Cb 0.98 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3f4f h ALA 72 CO 0.07 -0.49 -0.05 0.28 0.00 0.00 0.00 179.25 179.07 3f4f h VAL 73 N -0.51 1.13 -0.28 0.00 2.07 -1.46 -1.50 116.25 115.70 3f4f h VAL 73 Ca -0.02 -0.95 -0.15 0.00 0.82 0.00 0.00 66.70 66.40 3f4f h VAL 73 Cb 0.39 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3f4f h VAL 73 CO 0.04 0.23 -0.44 0.11 0.02 0.00 0.00 177.57 177.52 3f4f h LYS 74 N -0.58 0.71 0.00 1.57 1.57 -1.16 -3.37 116.57 115.31 3f4f h LYS 74 Ca -0.01 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3f4f h LYS 74 Cb 0.47 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3f4f h LYS 74 CO 0.02 1.01 0.00 0.09 -0.57 0.00 0.00 179.45 180.00 3f4f n ASN 75 N -4.02 0.55 -0.85 0.86 3.02 -0.51 -5.02 115.26 109.29 3f4f n ASN 75 Ca -0.02 -0.84 -0.08 0.00 -0.03 0.00 0.00 54.58 53.61 3f4f n ASN 75 Cb 0.55 0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.90 3f4f n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3f4f n GLY 76 N 0.18 0.13 3.77 7.41 0.00 -0.56 -4.31 105.19 111.81 3f4f n GLY 76 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3f4f n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f4f s ILE 77 N -2.37 5.25 -0.01 -0.61 -1.09 -0.90 -0.33 121.20 121.13 3f4f s ILE 77 Ca 0.00 0.62 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 3f4f s ILE 77 Cb 0.00 -3.64 -0.00 0.00 -1.58 0.00 0.00 42.46 37.24 3f4f s ILE 77 CO 0.00 0.45 -0.07 -1.58 -1.23 0.00 0.00 174.94 172.51 3f4f s GLN 78 N -0.05 0.69 0.32 2.79 2.00 -0.24 -3.61 119.66 121.57 3f4f s GLN 78 Ca 0.19 -0.25 -0.27 0.00 -2.00 0.00 0.00 55.36 53.03 3f4f s GLN 78 Cb -0.14 -0.67 -0.09 0.00 0.80 0.00 0.00 33.01 32.91 3f4f s GLN 78 CO 0.07 0.12 1.06 0.95 -0.50 0.00 0.00 175.29 176.98 3f4f s THR 79 N 0.05 3.66 0.44 -0.34 -4.23 -1.26 0.07 115.64 114.04 3f4f s THR 79 Ca -0.00 1.51 0.07 0.00 -1.18 0.00 0.00 61.69 62.09 3f4f s THR 79 Cb -0.06 -3.89 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 3f4f s THR 79 CO -0.00 0.24 0.39 -0.83 -0.54 0.00 0.00 174.62 173.88 3f4f s GLY 80 N -1.19 2.17 0.00 3.99 0.00 0.21 -4.81 107.32 107.68 3f4f s GLY 80 Ca 0.49 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.40 3f4f s GLY 80 CO 0.34 -1.75 0.00 0.00 0.00 0.00 0.00 173.10 171.69 3f4f n ALA 81 N -1.60 0.00 0.00 3.20 0.00 -1.26 -4.43 120.51 116.42 3f4f n ALA 81 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3f4f n ALA 81 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 3f4f n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f4f n GLY 82 N 0.00 0.47 3.45 0.00 0.00 -1.26 -4.95 105.19 102.90 3f4f n GLY 82 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3f4f n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f4f s VAL 83 N -2.00 5.02 -0.34 1.61 1.01 -1.26 -0.91 120.40 123.53 3f4f s VAL 83 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 3f4f s VAL 83 Cb 0.00 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3f4f s VAL 83 CO 0.00 -0.62 0.29 -0.69 0.00 0.00 0.00 175.10 174.09 3f4f s VAL 84 N 2.27 5.24 0.54 2.92 1.01 0.98 -4.99 120.40 128.38 3f4f s VAL 84 Ca 0.12 -0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.83 3f4f s VAL 84 Cb -0.19 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3f4f s VAL 84 CO 0.12 -0.03 1.09 -1.81 0.00 0.00 0.00 175.10 174.46 3f4f s ASP 85 N 1.73 5.86 0.52 3.32 1.11 -1.26 -1.84 116.67 126.11 3f4f s ASP 85 Ca 0.09 2.03 0.22 0.00 0.18 0.00 0.00 52.55 55.07 3f4f s ASP 85 Cb -0.17 -2.56 1.41 0.00 1.07 0.00 0.00 42.92 42.66 3f4f s ASP 85 CO 0.11 -1.12 2.12 -0.09 1.18 0.00 0.00 175.17 177.37 3f4f h ARG 86 N 1.08 0.00 -0.17 8.23 2.43 -1.93 -1.87 114.38 122.16 3f4f h ARG 86 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3f4f h ARG 86 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3f4f h ARG 86 CO 0.57 0.08 0.00 -0.40 -1.51 0.00 0.00 179.97 178.71 3f4f n ASP 87 N -4.05 1.36 -4.69 -3.80 3.85 -1.26 -4.56 116.55 103.40 3f4f n ASP 87 Ca -0.03 -1.73 -0.42 0.00 -0.71 0.00 0.00 54.79 51.90 3f4f n ASP 87 Cb 0.17 -0.11 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 3f4f n ASP 87 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 3f4f s TYR 88 N -1.79 3.51 -0.15 2.11 5.04 -0.70 -4.92 117.35 120.45 3f4f s TYR 88 Ca 0.28 1.56 0.03 0.00 -2.44 0.00 0.00 57.07 56.50 3f4f s TYR 88 Cb 0.15 -3.17 0.06 0.00 0.35 0.00 0.00 41.96 39.35 3f4f s TYR 88 CO 0.22 -0.22 1.05 0.25 -1.34 0.00 0.00 175.55 175.51 3f4f n THR 89 N 4.54 1.05 -2.02 4.34 -2.24 -1.26 -4.62 114.28 114.06 3f4f n THR 89 Ca 0.08 -1.06 -0.29 0.00 -2.27 0.00 0.00 64.05 60.51 3f4f n THR 89 Cb 0.49 0.46 0.19 0.00 -2.10 0.00 0.00 70.33 69.37 3f4f n THR 89 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3f4f s GLY 90 N -1.08 1.80 0.20 3.38 0.00 -1.26 -4.92 107.32 105.43 3f4f s GLY 90 Ca 0.05 -1.33 -0.31 0.00 0.00 0.00 0.00 44.72 43.13 3f4f s GLY 90 CO 0.03 -0.56 1.44 1.85 0.00 0.00 0.00 173.10 175.86 3f4f s GLU 91 N -5.83 4.28 -0.05 2.90 2.12 -1.26 -4.46 118.70 116.40 3f4f s GLU 91 Ca 0.74 2.24 -0.30 0.00 0.36 0.00 0.00 54.97 58.01 3f4f s GLU 91 Cb -0.03 -3.16 -0.02 0.00 0.26 0.00 0.00 34.13 31.18 3f4f s GLU 91 CO 0.52 -0.44 0.99 0.08 -0.54 0.00 0.00 175.26 175.87 3f4f s VAL 92 N 0.47 4.83 -0.04 3.70 1.01 -0.11 -5.01 120.40 125.25 3f4f s VAL 92 Ca 0.62 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.68 3f4f s VAL 92 Cb -0.41 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 3f4f s VAL 92 CO 0.37 0.08 -0.11 -0.54 0.00 0.00 0.00 175.10 174.91 3f4f s LYS 93 N 1.50 2.55 -0.30 2.72 -0.14 -1.26 -3.89 119.74 120.92 3f4f s LYS 93 Ca 0.50 -0.68 -0.14 0.00 -1.36 0.00 0.00 55.97 54.29 3f4f s LYS 93 Cb -0.20 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 3f4f s LYS 93 CO 0.23 0.63 0.33 0.08 -0.76 0.00 0.00 175.35 175.85 3f4f s VAL 94 N -0.82 5.20 -0.16 3.17 1.01 -0.41 -4.91 120.40 123.48 3f4f s VAL 94 Ca 0.13 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.13 3f4f s VAL 94 Cb -0.11 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3f4f s VAL 94 CO 0.02 0.07 0.73 -0.69 0.00 0.00 0.00 175.10 175.23 3f4f s VAL 95 N 1.98 4.96 -0.09 2.92 1.01 -1.26 0.26 120.40 130.17 3f4f s VAL 95 Ca 0.12 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.57 3f4f s VAL 95 Cb -0.16 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 3f4f s VAL 95 CO 0.11 0.10 -0.24 -0.76 0.00 0.00 0.00 175.10 174.30 3f4f s LEU 96 N 1.84 2.08 -0.09 3.92 1.43 -0.33 -0.62 118.68 126.91 3f4f s LEU 96 Ca 0.34 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 3f4f s LEU 96 Cb -0.16 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.61 3f4f s LEU 96 CO 0.12 0.17 0.29 -0.36 0.23 0.00 0.00 176.35 176.80 3f4f s PHE 97 N 0.26 3.59 -0.34 0.29 0.40 0.11 -1.29 117.98 121.01 3f4f s PHE 97 Ca -0.16 0.71 -0.05 0.00 -0.60 0.00 0.00 56.93 56.83 3f4f s PHE 97 Cb -0.17 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 41.21 3f4f s PHE 97 CO 0.08 0.53 0.10 1.21 0.70 0.00 0.00 175.22 177.84 3f4f s ASN 98 N -0.51 5.22 0.00 1.36 3.84 -0.36 -1.07 114.94 123.42 3f4f s ASN 98 Ca 0.18 -1.29 0.21 0.00 0.21 0.00 0.00 52.86 52.17 3f4f s ASN 98 Cb -0.14 -1.83 0.58 0.00 -0.55 0.00 0.00 41.25 39.31 3f4f s ASN 98 CO 0.07 -0.35 1.46 1.41 -2.79 0.00 0.00 177.10 176.91 3f4f n HIS 99 N 4.75 0.37 -2.75 0.43 8.25 0.55 -1.24 115.22 125.58 3f4f n HIS 99 Ca -0.11 -0.18 -0.22 0.00 -0.26 0.00 0.00 57.72 56.94 3f4f n HIS 99 Cb 0.44 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.63 3f4f n HIS 99 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3f4f s SER 100 N -1.46 4.79 0.00 0.41 1.04 -1.26 -4.70 113.70 112.52 3f4f s SER 100 Ca 0.34 -0.45 0.28 0.00 0.48 0.00 0.00 55.95 56.60 3f4f s SER 100 Cb 0.19 -0.10 1.08 0.00 0.10 0.00 0.00 66.02 67.29 3f4f s SER 100 CO 0.27 -1.53 1.76 0.00 0.98 0.00 0.00 173.24 174.72 3f4f n GLN 101 N -2.53 1.56 -4.92 4.02 6.02 -1.26 -1.51 117.38 118.76 3f4f n GLN 101 Ca 0.14 -0.87 -0.33 0.00 -0.01 0.00 0.00 57.00 55.93 3f4f n GLN 101 Cb 0.61 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 30.24 3f4f n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3f4f s ARG 102 N -2.04 2.73 0.45 -1.09 1.81 -1.26 -4.80 118.95 114.75 3f4f s ARG 102 Ca 0.38 -0.73 -0.24 0.00 -1.72 0.00 0.00 55.73 53.42 3f4f s ARG 102 Cb 0.21 -2.41 -0.09 0.00 -0.45 0.00 0.00 34.95 32.21 3f4f s ARG 102 CO 0.35 0.48 1.16 -0.25 -0.68 0.00 0.00 175.30 176.36 3f4f n ASP 103 N 2.72 1.94 -4.33 0.23 10.43 -1.26 -4.13 116.55 122.15 3f4f n ASP 103 Ca -0.17 1.04 -0.36 0.00 2.57 0.00 0.00 54.79 57.86 3f4f n ASP 103 Cb 0.52 -1.45 -0.13 0.00 1.84 0.00 0.00 41.12 41.90 3f4f n ASP 103 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3f4f s PHE 104 N -1.27 3.08 -0.05 1.24 2.19 0.18 -4.89 117.98 118.46 3f4f s PHE 104 Ca 0.64 -0.98 -0.28 0.00 0.33 0.00 0.00 56.93 56.65 3f4f s PHE 104 Cb -0.50 -2.18 -0.03 0.00 -1.31 0.00 0.00 43.02 39.00 3f4f s PHE 104 CO 0.55 -0.56 0.89 0.00 1.83 0.00 0.00 175.22 177.93 3f4f s ALA 105 N 1.48 3.29 -0.10 11.12 0.00 -1.26 -0.96 121.76 135.33 3f4f s ALA 105 Ca 0.04 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3f4f s ALA 105 Cb -0.16 -3.24 -0.00 0.00 0.00 0.00 0.00 23.12 19.72 3f4f s ALA 105 CO 0.00 -0.30 -0.22 0.42 0.00 0.00 0.00 175.76 175.66 3f4f s ILE 106 N 1.24 2.28 0.04 0.00 1.01 0.25 -5.01 121.20 121.01 3f4f s ILE 106 Ca 0.46 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3f4f s ILE 106 Cb -0.19 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3f4f s ILE 106 CO 0.22 0.55 0.06 -0.54 0.00 0.00 0.00 174.94 175.23 3f4f s LYS 107 N 0.28 2.91 -0.01 2.79 -0.14 -1.26 -1.40 119.74 122.91 3f4f s LYS 107 Ca -0.16 -0.61 -0.40 0.00 -1.36 0.00 0.00 55.97 53.44 3f4f s LYS 107 Cb -0.17 -2.75 -0.20 0.00 -1.68 0.00 0.00 37.83 33.03 3f4f s LYS 107 CO 0.08 0.60 1.11 1.17 -0.76 0.00 0.00 175.35 177.55 3f4f n LYS 108 N 0.89 0.10 -0.08 1.68 4.81 -1.26 -1.32 118.16 122.97 3f4f n LYS 108 Ca -0.11 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3f4f n LYS 108 Cb 0.52 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 34.03 3f4f n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f4f n GLY 109 N 1.68 1.40 3.77 3.14 0.00 0.59 -4.96 105.19 110.82 3f4f n GLY 109 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3f4f n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f4f s ASP 110 N -3.01 6.18 -0.27 1.61 1.01 -0.43 -4.77 116.67 116.98 3f4f s ASP 110 Ca 0.00 2.35 -0.25 0.00 0.71 0.00 0.00 52.55 55.36 3f4f s ASP 110 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3f4f s ASP 110 CO 0.00 -0.92 0.86 -0.13 0.21 0.00 0.00 175.17 175.19 3f4f s ARG 111 N -2.63 4.10 0.00 8.23 0.52 -1.26 -1.23 118.95 126.68 3f4f s ARG 111 Ca 0.63 0.86 0.05 0.00 -0.52 0.00 0.00 55.73 56.75 3f4f s ARG 111 Cb -0.30 -3.68 -0.06 0.00 0.52 0.00 0.00 34.95 31.43 3f4f s ARG 111 CO 0.37 -0.62 0.23 1.33 0.02 0.00 0.00 175.30 176.63 3f4f n VAL 112 N 5.42 0.00 -3.94 3.52 0.24 -0.19 -4.98 118.33 118.41 3f4f n VAL 112 Ca 0.06 -0.38 0.01 0.00 -2.04 0.00 0.00 64.34 61.99 3f4f n VAL 112 Cb 0.48 1.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.86 3f4f n VAL 112 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f4f n ALA 113 N -1.10 -2.81 -2.57 2.33 0.00 -1.23 -4.51 120.51 110.63 3f4f n ALA 113 Ca 0.01 -0.73 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 3f4f n ALA 113 Cb 0.08 0.23 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 3f4f n ALA 113 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3f4f s GLN 114 N -2.02 0.76 -0.24 0.00 -2.07 0.31 -1.18 119.66 115.22 3f4f s GLN 114 Ca 0.24 -1.06 -0.09 0.00 -1.82 0.00 0.00 55.36 52.63 3f4f s GLN 114 Cb -0.01 -0.47 -0.04 0.00 -1.09 0.00 0.00 33.01 31.40 3f4f s GLN 114 CO 0.01 0.07 0.12 -1.17 -1.32 0.00 0.00 175.29 173.01 3f4f s LEU 115 N -2.22 3.83 -0.12 2.60 2.96 0.12 -0.32 118.68 125.54 3f4f s LEU 115 Ca 0.01 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3f4f s LEU 115 Cb -0.05 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3f4f s LEU 115 CO -0.00 0.03 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.27 3f4f s ILE 116 N 1.28 2.85 -1.27 6.68 1.01 0.15 -0.75 121.20 131.15 3f4f s ILE 116 Ca 0.06 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.83 3f4f s ILE 116 Cb -0.14 -2.17 0.13 0.00 0.01 0.00 0.00 42.46 40.28 3f4f s ILE 116 CO 0.05 0.54 1.68 0.18 0.00 0.00 0.00 174.94 177.39 3f4f n LEU 117 N 3.44 5.51 -4.69 2.97 4.77 -1.26 -0.46 117.00 127.28 3f4f n LEU 117 Ca -0.18 -4.29 -0.42 0.00 -0.03 0.00 0.00 56.01 51.09 3f4f n LEU 117 Cb 0.53 -1.64 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 3f4f n LEU 117 CO 0.30 0.68 1.23 -1.61 -1.33 0.00 0.00 177.39 176.66 3f4f s GLU 118 N 2.39 4.24 0.21 3.23 0.41 -0.82 -4.86 118.70 123.49 3f4f s GLU 118 Ca 0.46 2.19 -0.30 0.00 -0.41 0.00 0.00 54.97 56.91 3f4f s GLU 118 Cb 0.03 -3.54 -0.08 0.00 -1.78 0.00 0.00 34.13 28.76 3f4f s GLU 118 CO 0.02 -0.65 1.02 0.15 -0.49 0.00 0.00 175.26 175.30 3f4f s LYS 119 N 2.36 4.72 0.18 1.61 1.02 -1.26 -2.05 119.74 126.32 3f4f s LYS 119 Ca 0.69 1.60 -0.03 0.00 0.02 0.00 0.00 55.97 58.26 3f4f s LYS 119 Cb -0.37 -3.28 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 3f4f s LYS 119 CO 0.30 0.29 0.16 0.96 -0.92 0.00 0.00 175.35 176.15 3f4f s ILE 120 N -0.74 0.03 -0.44 2.17 -4.36 -0.43 -4.96 121.20 112.47 3f4f s ILE 120 Ca 0.45 -1.86 -0.21 0.00 -0.26 0.00 0.00 60.65 58.78 3f4f s ILE 120 Cb -0.28 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.17 3f4f s ILE 120 CO 0.34 -0.14 0.64 -0.69 0.24 0.00 0.00 174.94 175.33 3f4f s VAL 121 N -4.10 4.83 -1.58 8.37 1.01 -1.26 -4.69 120.40 122.98 3f4f s VAL 121 Ca 0.31 0.06 0.15 0.00 0.00 0.00 0.00 61.98 62.50 3f4f s VAL 121 Cb 0.06 -4.21 0.26 0.00 0.00 0.00 0.00 36.38 32.49 3f4f s VAL 121 CO 0.08 -0.62 1.16 -0.90 0.00 0.00 0.00 175.10 174.82 3f4f n ASP 122 N 6.26 2.74 -1.96 3.32 3.85 -1.26 -4.46 116.55 125.03 3f4f n ASP 122 Ca -0.02 -1.81 -0.09 0.00 -0.71 0.00 0.00 54.79 52.16 3f4f n ASP 122 Cb 0.48 -0.15 0.06 0.00 -1.35 0.00 0.00 41.12 40.15 3f4f n ASP 122 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3f4f n ASP 123 N 0.86 3.02 -4.79 -1.12 3.85 -1.26 -5.09 116.55 112.02 3f4f n ASP 123 Ca 0.12 -3.10 -0.34 0.00 -0.71 0.00 0.00 54.79 50.76 3f4f n ASP 123 Cb 0.43 -0.41 -0.01 0.00 -1.35 0.00 0.00 41.12 39.78 3f4f n ASP 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3f4f s ALA 124 N -3.21 2.77 -0.25 2.12 0.00 -1.26 -5.02 121.76 116.91 3f4f s ALA 124 Ca 0.40 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 3f4f s ALA 124 Cb 0.38 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3f4f s ALA 124 CO -0.02 -0.57 0.11 -1.14 0.00 0.00 0.00 175.76 174.13 3f4f s GLN 125 N -3.36 3.80 -0.08 0.00 0.74 -1.26 -5.07 119.66 114.42 3f4f s GLN 125 Ca 0.69 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 55.40 3f4f s GLN 125 Cb -0.19 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 3f4f s GLN 125 CO 0.25 -0.11 1.13 0.42 -0.55 0.00 0.00 175.29 176.43 3f4f s ILE 126 N 1.45 4.44 -0.16 -2.34 1.01 -1.26 -5.03 121.20 119.31 3f4f s ILE 126 Ca 0.06 1.75 0.01 0.00 0.00 0.00 0.00 60.65 62.47 3f4f s ILE 126 Cb -0.15 -4.12 0.02 0.00 0.01 0.00 0.00 42.46 38.21 3f4f s ILE 126 CO 0.05 -0.01 -0.20 -0.69 0.00 0.00 0.00 174.94 174.09 3f4f s VAL 127 N 2.24 1.99 0.02 2.92 1.01 -1.26 -5.11 120.40 122.21 3f4f s VAL 127 Ca 0.53 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3f4f s VAL 127 Cb -0.22 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3f4f s VAL 127 CO 0.20 0.53 1.04 -0.69 0.00 0.00 0.00 175.10 176.17 3f4f s VAL 128 N 1.15 4.62 0.14 2.92 1.01 -1.26 -5.06 120.40 123.92 3f4f s VAL 128 Ca 0.01 1.90 0.05 0.00 0.00 0.00 0.00 61.98 63.94 3f4f s VAL 128 Cb -0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3f4f s VAL 128 CO -0.09 0.16 -0.12 0.68 0.00 0.00 0.00 175.10 175.73 3f4f s VAL 129 N 0.94 1.28 0.09 2.92 -7.23 -1.26 -5.07 120.40 112.07 3f4f s VAL 129 Ca 0.53 -1.88 -0.13 0.00 -1.81 0.00 0.00 61.98 58.69 3f4f s VAL 129 Cb -0.23 -1.68 -0.18 0.00 0.56 0.00 0.00 36.38 34.85 3f4f s VAL 129 CO 0.29 -0.57 1.27 -0.78 -0.31 0.00 0.00 175.10 175.00 3f4f h ASP 130 N 3.16 0.94 -5.23 4.85 3.58 -2.10 -3.47 116.42 118.16 3f4f h ASP 130 Ca -0.38 -0.67 -0.06 0.00 0.42 0.00 0.00 57.03 56.34 3f4f h ASP 130 Cb 1.20 -0.28 -0.10 0.00 1.72 0.00 0.00 39.33 41.86 3f4f h ASP 130 CO 0.57 1.46 -0.15 -0.94 -2.88 0.00 0.00 179.24 177.30 3f4f s SER 131 N -7.17 -0.09 0.23 2.28 1.04 -1.26 -5.18 113.70 103.56 3f4f s SER 131 Ca -0.10 -0.85 0.06 0.00 0.48 0.00 0.00 55.95 55.54 3f4f s SER 131 Cb 0.08 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 3f4f s SER 131 CO 0.91 -1.07 0.21 -0.76 0.98 0.00 0.00 173.24 173.52 3f4f s LEU 132 N -2.99 3.91 0.15 2.42 1.43 -1.26 -5.07 118.68 117.28 3f4f s LEU 132 Ca 0.19 -0.17 -0.34 0.00 -1.03 0.00 0.00 54.13 52.79 3f4f s LEU 132 Cb 0.00 -2.46 -0.14 0.00 0.03 0.00 0.00 46.19 43.63 3f4f s LEU 132 CO 0.05 -0.02 1.57 1.21 0.23 0.00 0.00 176.35 179.39 3f4f n GLU 133 N -1.05 2.09 -1.73 1.70 4.07 -1.26 -4.91 120.64 119.55 3f4f n GLU 133 Ca -0.08 0.76 -0.42 0.00 -0.06 0.00 0.00 57.16 57.36 3f4f n GLU 133 Cb 0.57 -2.52 -0.03 0.00 -0.06 0.00 0.00 31.44 29.41 3f4f n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3f4f s GLU 134 N 0.93 4.12 0.18 5.31 2.12 -1.26 -5.01 118.70 125.09 3f4f s GLU 134 Ca 0.79 2.61 0.06 0.00 0.36 0.00 0.00 54.97 58.79 3f4f s GLU 134 Cb -0.69 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 3f4f s GLU 134 CO 0.39 -0.72 -0.10 -1.54 -0.54 0.00 0.00 175.26 172.74 3f4f s SER 135 N 0.96 2.12 0.21 -1.70 1.04 -1.26 -5.03 113.70 110.04 3f4f s SER 135 Ca 0.71 -1.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.03 3f4f s SER 135 Cb -0.49 -0.06 0.17 0.00 0.10 0.00 0.00 66.02 65.74 3f4f s SER 135 CO 0.37 -0.30 1.66 0.00 0.98 0.00 0.00 173.24 175.96 3f4f h ALA 136 N 2.64 0.91 -0.48 5.32 0.00 -2.06 -2.80 119.26 122.79 3f4f h ALA 136 Ca -0.37 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.25 3f4f h ALA 136 Cb 1.21 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3f4f h ALA 136 CO 0.63 0.63 0.24 -0.09 0.00 0.00 0.00 179.25 180.67 3f4f h ARG 137 N 0.81 0.46 0.00 0.00 2.43 -1.96 -3.47 114.38 112.65 3f4f h ARG 137 Ca 0.14 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3f4f h ARG 137 Cb 0.61 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3f4f h ARG 137 CO 0.04 0.30 0.00 0.41 -1.51 0.00 0.00 179.97 179.21 3f4f n GLY 138 N -1.24 3.38 0.49 2.80 0.00 -1.06 -2.16 105.19 107.40 3f4f n GLY 138 Ca 0.04 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3f4f n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4f n ALA 139 N 10.93 2.53 -2.36 4.61 0.00 -1.26 -4.92 120.51 130.04 3f4f n ALA 139 Ca 0.00 -0.47 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 3f4f n ALA 139 Cb 0.00 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3f4f n ALA 139 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3f4f s GLY 140 N -1.53 2.08 0.20 0.00 0.00 -0.92 -4.99 107.32 102.17 3f4f s GLY 140 Ca 0.31 0.78 -0.21 0.00 0.00 0.00 0.00 44.72 45.60 3f4f s GLY 140 CO 0.25 2.28 0.62 -0.32 0.00 0.00 0.00 173.10 175.93 3f4f s GLY 141 N 1.49 -0.37 -1.49 0.20 0.00 -1.26 -4.96 107.32 100.93 3f4f s GLY 141 Ca 0.60 0.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.37 3f4f s GLY 141 CO 0.25 0.01 0.73 0.69 0.00 0.00 0.00 173.10 174.78 3f4f n PHE 142 N -0.39 -2.15 1.65 1.90 3.01 -1.26 -5.28 117.46 114.94 3f4f n PHE 142 Ca -0.12 0.64 0.13 0.00 1.01 0.00 0.00 57.45 59.11 3f4f n PHE 142 Cb 0.63 -4.37 0.78 0.00 -0.01 0.00 0.00 39.48 36.51 3f4f n PHE 142 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18