#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 1.79 -3.71 -0.67 5.02 -1.26 -4.52 118.16 114.80 3f4f n LYS 7 Ca 0.00 -3.23 -0.36 0.00 -2.02 0.00 0.00 58.31 52.70 3f4f n LYS 7 Cb 0.00 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.16 3f4f n LYS 7 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3f4f s VAL 8 N -3.27 5.39 -0.34 -0.18 1.01 -1.26 -4.98 120.40 116.77 3f4f s VAL 8 Ca 0.43 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 3f4f s VAL 8 Cb 0.40 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 3f4f s VAL 8 CO -0.02 0.48 0.19 -0.22 0.00 0.00 0.00 175.10 175.53 3f4f s LEU 9 N -0.02 4.40 -0.16 3.92 2.96 -1.26 -3.88 118.68 124.63 3f4f s LEU 9 Ca 0.12 -0.62 -0.15 0.00 -0.22 0.00 0.00 54.13 53.26 3f4f s LEU 9 Cb -0.12 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 3f4f s LEU 9 CO 0.02 -0.26 0.35 -0.54 -1.32 0.00 0.00 176.35 174.59 3f4f s LYS 10 N 1.63 4.27 -0.13 1.98 1.02 -1.01 -4.97 119.74 122.52 3f4f s LYS 10 Ca 0.04 0.18 0.03 0.00 0.02 0.00 0.00 55.97 56.24 3f4f s LYS 10 Cb -0.18 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 3f4f s LYS 10 CO 0.08 0.18 -0.22 0.42 -0.92 0.00 0.00 175.35 174.89 3f4f s ILE 11 N 0.62 2.15 -0.26 2.17 -1.09 -1.26 -1.36 121.20 122.16 3f4f s ILE 11 Ca 0.19 -0.96 -0.10 0.00 -2.23 0.00 0.00 60.65 57.55 3f4f s ILE 11 Cb -0.14 -1.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.84 3f4f s ILE 11 CO 0.06 0.55 0.16 -1.58 -1.23 0.00 0.00 174.94 172.90 3f4f s GLN 12 N 0.69 3.97 -0.39 2.79 0.74 0.13 -4.99 119.66 122.60 3f4f s GLN 12 Ca -0.10 -0.32 -0.23 0.00 0.05 0.00 0.00 55.36 54.76 3f4f s GLN 12 Cb -0.16 -3.57 0.01 0.00 1.10 0.00 0.00 33.01 30.39 3f4f s GLN 12 CO 0.01 -0.08 0.79 -0.51 -0.55 0.00 0.00 175.29 174.95 3f4f s LEU 13 N 1.45 4.16 0.12 3.68 1.43 -1.26 -1.06 118.68 127.19 3f4f s LEU 13 Ca 0.07 0.21 0.26 0.00 -1.03 0.00 0.00 54.13 53.63 3f4f s LEU 13 Cb -0.15 -3.01 0.66 0.00 0.03 0.00 0.00 46.19 43.72 3f4f s LEU 13 CO 0.08 -0.80 1.58 0.54 0.23 0.00 0.00 176.35 177.98 3f4f n ARG 14 N 6.54 0.20 -3.83 1.70 1.74 0.47 -4.94 116.66 118.54 3f4f n ARG 14 Ca 0.03 0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 57.14 3f4f n ARG 14 Cb 0.48 -1.67 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3f4f n ARG 14 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3f4f s SER 15 N -3.98 -0.14 0.55 0.55 1.04 -1.25 -5.02 113.70 105.44 3f4f s SER 15 Ca 0.10 -0.80 0.30 0.00 0.48 0.00 0.00 55.95 56.03 3f4f s SER 15 Cb 0.14 0.74 1.59 0.00 0.10 0.00 0.00 66.02 68.60 3f4f s SER 15 CO 0.65 -1.42 2.12 0.00 0.98 0.00 0.00 173.24 175.56 3f4f h ALA 16 N 2.00 1.26 0.00 5.32 0.00 -1.95 -2.78 119.26 123.11 3f4f h ALA 16 Ca -0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3f4f h ALA 16 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3f4f h ALA 16 CO 0.30 0.10 0.00 0.77 0.00 0.00 0.00 179.25 180.43 3f4f h SER 17 N 0.00 0.00 -4.12 0.00 0.02 -1.95 -3.46 113.55 104.04 3f4f h SER 17 Ca -0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3f4f h SER 17 Cb 0.27 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.85 3f4f h SER 17 CO 0.01 0.00 0.38 0.00 -1.14 0.00 0.00 176.83 176.08 3f4f s ALA 18 N -3.33 2.84 -0.06 3.77 0.00 -1.05 -4.52 121.76 119.40 3f4f s ALA 18 Ca 0.06 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.56 3f4f s ALA 18 Cb 0.08 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3f4f s ALA 18 CO 0.59 -0.46 -0.17 0.99 0.00 0.00 0.00 175.76 176.71 3f4f s THR 19 N -2.17 1.50 0.18 0.00 2.01 -1.26 -4.98 115.64 110.92 3f4f s THR 19 Ca 0.66 -0.72 -0.32 0.00 0.31 0.00 0.00 61.69 61.61 3f4f s THR 19 Cb -0.16 -1.31 -0.12 0.00 0.01 0.00 0.00 72.50 70.92 3f4f s THR 19 CO 0.26 0.43 1.73 0.52 -0.69 0.00 0.00 174.62 176.87 3f4f n VAL 20 N 3.46 0.09 -1.68 3.82 0.31 -1.26 -4.66 118.33 118.41 3f4f n VAL 20 Ca -0.20 -0.02 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 3f4f n VAL 20 Cb 0.52 -1.94 0.05 0.00 -0.91 0.00 0.00 33.84 31.56 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 4.28 1.25 -4.26 5.55 -0.02 -1.26 -4.95 135.00 135.59 3f4f n PRO 21 Ca 0.17 0.47 -0.17 0.00 -2.02 0.00 0.00 63.50 61.94 3f4f n PRO 21 Cb 0.34 -2.35 -0.13 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.39 0.76 0.31 3.45 -4.23 -1.05 -4.84 115.64 108.65 3f4f s THR 22 Ca 0.74 -0.73 -0.29 0.00 -1.18 0.00 0.00 61.69 60.23 3f4f s THR 22 Cb -0.43 -0.70 -0.10 0.00 1.34 0.00 0.00 72.50 72.61 3f4f s THR 22 CO 0.48 -0.01 1.33 -0.54 -0.54 0.00 0.00 174.62 175.33 3f4f s LYS 23 N -0.82 4.34 0.00 3.99 1.02 -1.26 0.05 119.74 127.06 3f4f s LYS 23 Ca -0.00 2.21 0.23 0.00 0.02 0.00 0.00 55.97 58.43 3f4f s LYS 23 Cb -0.06 -3.09 0.05 0.00 -0.52 0.00 0.00 37.83 34.21 3f4f s LYS 23 CO 0.00 -0.23 1.11 0.41 -0.92 0.00 0.00 175.35 175.73 3f4f n GLY 24 N 1.18 -0.39 3.60 -3.33 0.00 -1.26 -4.93 105.19 100.05 3f4f n GLY 24 Ca 0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.65 -0.14 0.28 1.61 1.04 -1.26 -5.00 113.70 107.57 3f4f s SER 25 Ca 0.16 -0.78 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 3f4f s SER 25 Cb 0.18 0.60 0.45 0.00 0.10 0.00 0.00 66.02 67.34 3f4f s SER 25 CO 0.65 -1.14 1.90 0.00 0.98 0.00 0.00 173.24 175.64 3f4f h ALA 26 N 2.23 1.44 -0.47 5.32 0.00 -2.03 -2.57 119.26 123.18 3f4f h ALA 26 Ca -0.26 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.29 3f4f h ALA 26 Cb 1.25 -0.30 -0.25 0.00 0.00 0.00 0.00 17.79 18.49 3f4f h ALA 26 CO 0.35 0.42 -0.59 2.41 0.00 0.00 0.00 179.25 181.84 3f4f n THR 27 N -4.49 2.46 -2.01 0.00 -1.04 -1.26 -5.05 114.28 102.89 3f4f n THR 27 Ca 0.14 -3.73 -0.41 0.00 -2.04 0.00 0.00 64.05 58.01 3f4f n THR 27 Cb 0.18 -0.77 -0.02 0.00 -1.82 0.00 0.00 70.33 67.90 3f4f n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3f4f s ALA 28 N -3.46 3.57 0.40 2.41 0.00 -0.97 -4.91 121.76 118.80 3f4f s ALA 28 Ca 0.47 1.35 0.12 0.00 0.00 0.00 0.00 51.96 53.89 3f4f s ALA 28 Cb 0.40 -3.54 0.84 0.00 0.00 0.00 0.00 23.12 20.83 3f4f s ALA 28 CO -0.00 -0.76 1.93 0.00 0.00 0.00 0.00 175.76 176.92 3f4f h ALA 29 N 4.01 1.55 -2.16 0.00 0.00 -1.97 -3.47 119.26 117.22 3f4f h ALA 29 Ca -0.48 -0.21 -0.45 0.00 0.00 0.00 0.00 54.91 53.77 3f4f h ALA 29 Cb 1.22 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 3f4f h ALA 29 CO 0.70 0.33 -0.70 0.20 0.00 0.00 0.00 179.25 179.78 3f4f s GLY 30 N -4.13 1.58 -0.24 0.00 0.00 -1.26 -4.57 107.32 98.70 3f4f s GLY 30 Ca -0.05 -1.76 -0.09 0.00 0.00 0.00 0.00 44.72 42.82 3f4f s GLY 30 CO 0.72 -1.77 0.12 -0.19 0.00 0.00 0.00 173.10 171.98 3f4f s TYR 31 N -3.08 3.20 0.28 1.90 1.51 0.43 -4.36 117.35 117.23 3f4f s TYR 31 Ca 0.26 -0.06 -0.30 0.00 -1.01 0.00 0.00 57.07 55.96 3f4f s TYR 31 Cb 0.02 -2.25 -0.11 0.00 -0.11 0.00 0.00 41.96 39.51 3f4f s TYR 31 CO 0.09 -0.13 1.52 -0.51 -1.11 0.00 0.00 175.55 175.41 3f4f s ASP 32 N 1.32 6.50 -0.16 2.29 1.01 0.11 0.49 116.67 128.21 3f4f s ASP 32 Ca 0.06 2.83 -0.07 0.00 0.71 0.00 0.00 52.55 56.08 3f4f s ASP 32 Cb -0.15 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.11 3f4f s ASP 32 CO 0.05 -0.82 0.09 -0.63 0.21 0.00 0.00 175.17 174.08 3f4f s ILE 33 N -0.07 5.04 -0.15 0.77 1.01 0.40 -2.51 121.20 125.67 3f4f s ILE 33 Ca 0.61 0.05 -0.06 0.00 0.00 0.00 0.00 60.65 61.24 3f4f s ILE 33 Cb -0.45 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 3f4f s ILE 33 CO 0.47 0.50 0.07 -0.31 0.00 0.00 0.00 174.94 175.67 3f4f s TYR 34 N -0.03 3.31 0.25 3.97 2.02 -1.26 -1.12 117.35 124.49 3f4f s TYR 34 Ca 0.08 0.20 -0.31 0.00 -0.37 0.00 0.00 57.07 56.67 3f4f s TYR 34 Cb -0.12 -2.00 -0.12 0.00 -0.40 0.00 0.00 41.96 39.32 3f4f s TYR 34 CO 0.01 0.34 1.62 0.00 -1.57 0.00 0.00 175.55 175.95 3f4f n ALA 35 N 2.94 2.38 0.24 3.71 0.00 0.33 -4.56 120.51 125.54 3f4f n ALA 35 Ca -0.18 0.39 0.11 0.00 0.00 0.00 0.00 53.44 53.77 3f4f n ALA 35 Cb 0.53 -2.45 -0.12 0.00 0.00 0.00 0.00 19.45 17.40 3f4f n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3f4f n SER 36 N 2.88 0.32 -3.94 0.00 3.41 -0.11 0.01 113.62 116.19 3f4f n SER 36 Ca 0.12 -0.16 -0.10 0.00 -0.26 0.00 0.00 58.87 58.47 3f4f n SER 36 Cb 0.35 1.55 -0.10 0.00 -0.26 0.00 0.00 64.21 65.75 3f4f n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f4f s GLN 37 N -3.38 0.45 0.45 4.33 0.00 -1.26 -4.73 119.66 115.52 3f4f s GLN 37 Ca -0.03 -0.61 -0.24 0.00 -0.00 0.00 0.00 55.36 54.48 3f4f s GLN 37 Cb 0.14 0.17 -0.09 0.00 0.00 0.00 0.00 33.01 33.23 3f4f s GLN 37 CO 0.88 -0.10 1.17 -0.25 0.00 0.00 0.00 175.29 176.99 3f4f n ASP 38 N 1.28 2.00 -3.52 12.60 8.00 -1.26 -4.29 116.55 131.36 3f4f n ASP 38 Ca -0.22 1.05 -0.10 0.00 0.71 0.00 0.00 54.79 56.22 3f4f n ASP 38 Cb 0.56 -1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 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 -1.26 0.00 -0.10 0.53 2.07 -0.58 -4.94 121.20 116.93 3f4f s ILE 39 Ca 0.64 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.91 3f4f s ILE 39 Cb -0.51 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.08 3f4f s ILE 39 CO 0.56 0.00 -0.21 -0.89 -1.91 0.00 0.00 174.94 172.49 3f4f s THR 40 N -2.42 2.38 -0.37 4.00 2.01 -1.26 -0.01 115.64 119.96 3f4f s THR 40 Ca 0.01 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 60.92 3f4f s THR 40 Cb -0.01 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.57 3f4f s THR 40 CO -0.04 0.55 0.48 -0.63 -0.69 0.00 0.00 174.62 174.29 3f4f s ILE 41 N 0.27 5.04 0.48 1.82 -1.09 -0.23 -4.89 121.20 122.59 3f4f s ILE 41 Ca -0.14 0.15 -0.22 0.00 -2.23 0.00 0.00 60.65 58.20 3f4f s ILE 41 Cb -0.17 -3.97 -0.07 0.00 -1.58 0.00 0.00 42.46 36.67 3f4f s ILE 41 CO 0.07 -0.27 1.13 -2.16 -1.23 0.00 0.00 174.94 172.48 3f4f s PRO 42 N 2.32 3.70 0.02 2.79 0.04 -1.26 -0.88 135.00 141.72 3f4f s PRO 42 Ca 0.17 1.65 -0.39 0.00 0.04 0.00 0.00 61.00 62.46 3f4f s PRO 42 Cb -0.16 -2.28 -0.19 0.00 0.04 0.00 0.00 34.50 31.91 3f4f s PRO 42 CO 0.14 -0.57 1.12 0.00 0.04 0.00 0.00 177.00 177.73 3f4f n ALA 43 N -0.72 -3.10 -3.24 8.56 0.00 -1.26 -1.21 120.51 119.55 3f4f n ALA 43 Ca 0.08 0.58 -0.23 0.00 0.00 0.00 0.00 53.44 53.88 3f4f n ALA 43 Cb 0.50 -1.82 0.01 0.00 0.00 0.00 0.00 19.45 18.13 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 1.71 -4.04 0.00 0.00 2.81 -0.48 -4.90 117.12 112.22 3f4f n MET 44 Ca 0.20 0.65 0.00 0.00 -1.81 0.00 0.00 57.70 56.73 3f4f n MET 44 Cb 0.10 -5.42 0.00 0.00 -0.71 0.00 0.00 33.22 27.19 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 -1.32 5.07 3.65 3.03 0.00 -0.35 -4.97 105.19 110.30 3f4f n GLY 45 Ca -0.05 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 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 1.15 1.76 0.20 1.61 -2.07 -1.26 -1.05 119.66 120.00 3f4f s GLN 46 Ca 0.00 -1.33 -0.22 0.00 -1.82 0.00 0.00 55.36 51.99 3f4f s GLN 46 Cb 0.00 0.51 0.08 0.00 -1.09 0.00 0.00 33.01 32.51 3f4f s GLN 46 CO 0.00 -0.76 1.03 0.20 -1.32 0.00 0.00 175.29 174.44 3f4f s GLY 47 N -3.05 0.13 -0.09 2.60 0.00 -0.31 -4.47 107.32 102.13 3f4f s GLY 47 Ca 0.21 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.60 3f4f s GLY 47 CO 0.11 2.38 -0.22 1.06 0.00 0.00 0.00 173.10 176.43 3f4f s MET 48 N -2.16 2.72 -0.19 2.90 -1.94 -1.26 -1.05 119.30 118.31 3f4f s MET 48 Ca 0.22 -0.80 -0.07 0.00 -1.71 0.00 0.00 55.69 53.32 3f4f s MET 48 Cb -0.03 -2.11 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 3f4f s MET 48 CO 0.06 0.19 0.06 0.08 -0.01 0.00 0.00 175.02 175.40 3f4f s VAL 49 N 0.29 4.66 0.39 -6.03 1.01 0.10 -4.94 120.40 115.89 3f4f s VAL 49 Ca -0.15 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 3f4f s VAL 49 Cb -0.17 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 3f4f s VAL 49 CO 0.07 0.44 1.00 -0.44 0.00 0.00 0.00 175.10 176.17 3f4f s SER 50 N 0.60 6.94 0.00 3.32 0.01 -1.26 -1.85 113.70 121.46 3f4f s SER 50 Ca 0.03 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.19 3f4f s SER 50 Cb -0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.53 3f4f s SER 50 CO 0.01 -0.36 0.00 0.35 0.41 0.00 0.00 173.24 173.65 3f4f n THR 51 N -0.05 0.00 -2.81 1.44 -2.24 -1.25 -0.93 114.28 108.43 3f4f n THR 51 Ca 0.05 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 3f4f n THR 51 Cb 0.51 -0.31 0.01 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.54 -4.90 -4.33 3.42 8.00 -1.26 -4.33 116.55 111.61 3f4f n ASP 52 Ca 0.00 -0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.13 3f4f n ASP 52 Cb 0.24 -4.05 -0.12 0.00 -0.02 0.00 0.00 41.12 37.17 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 -2.93 1.90 0.19 0.53 -4.36 -1.26 -0.39 121.20 114.87 3f4f s ILE 53 Ca 0.18 -1.73 0.09 0.00 -0.26 0.00 0.00 60.65 58.94 3f4f s ILE 53 Cb -0.09 -1.76 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3f4f s ILE 53 CO 0.22 -0.11 -0.19 -0.44 0.24 0.00 0.00 174.94 174.67 3f4f s SER 54 N -2.20 2.91 -0.00 4.36 0.01 -0.23 -0.57 113.70 117.98 3f4f s SER 54 Ca 0.11 -0.90 -0.13 0.00 1.31 0.00 0.00 55.95 56.34 3f4f s SER 54 Cb -0.09 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 65.97 3f4f s SER 54 CO 0.06 -0.01 0.27 0.72 0.41 0.00 0.00 173.24 174.68 3f4f s PHE 55 N -2.15 -0.12 -0.33 2.43 -0.71 -1.26 0.23 117.98 116.07 3f4f s PHE 55 Ca 0.19 0.14 -0.05 0.00 -1.04 0.00 0.00 56.93 56.17 3f4f s PHE 55 Cb -0.05 0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.86 3f4f s PHE 55 CO 0.08 -0.38 0.08 0.99 -1.34 0.00 0.00 175.22 174.65 3f4f s THR 56 N -1.46 3.59 0.88 -4.49 2.01 -0.47 -4.80 115.64 110.89 3f4f s THR 56 Ca -0.13 -1.18 -0.11 0.00 0.31 0.00 0.00 61.69 60.58 3f4f s THR 56 Cb -0.05 -3.03 0.12 0.00 0.01 0.00 0.00 72.50 69.54 3f4f s THR 56 CO 0.03 -0.15 1.10 0.68 -0.69 0.00 0.00 174.62 175.59 3f4f s VAL 57 N 1.37 2.67 0.73 3.82 -7.23 -1.26 -2.40 120.40 118.10 3f4f s VAL 57 Ca -0.03 0.22 -0.14 0.00 -1.81 0.00 0.00 61.98 60.22 3f4f s VAL 57 Cb -0.20 -2.52 0.04 0.00 0.56 0.00 0.00 36.38 34.27 3f4f s VAL 57 CO 0.02 -0.29 1.16 -2.84 -0.31 0.00 0.00 175.10 172.84 3f4f s PRO 58 N -4.79 2.24 0.30 4.82 0.02 -1.25 -4.93 135.00 131.40 3f4f s PRO 58 Ca 0.64 1.57 -0.29 0.00 0.02 0.00 0.00 61.00 62.94 3f4f s PRO 58 Cb -0.20 -1.86 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 3f4f s PRO 58 CO 0.58 -1.72 1.33 0.28 -0.33 0.00 0.00 177.00 177.13 3f4f n VAL 59 N -2.84 1.58 -0.39 3.83 0.31 -1.26 -2.18 118.33 117.38 3f4f n VAL 59 Ca 0.12 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 3f4f n VAL 59 Cb 0.51 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 1.35 0.81 3.26 2.92 0.00 -1.26 -5.05 105.19 107.21 3f4f n GLY 60 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 0.24 0.26 2.61 -4.23 -0.93 -1.37 115.64 110.22 3f4f s THR 61 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3f4f s THR 61 Cb 0.00 -2.56 -0.05 0.00 1.34 0.00 0.00 72.50 71.23 3f4f s THR 61 CO 0.00 0.00 0.03 -0.72 -0.54 0.00 0.00 174.62 173.39 3f4f s TYR 62 N -3.95 1.65 -0.30 3.99 1.13 -0.74 -4.57 117.35 114.57 3f4f s TYR 62 Ca 0.38 -0.99 -0.14 0.00 -1.41 0.00 0.00 57.07 54.91 3f4f s TYR 62 Cb 0.07 -0.99 -0.03 0.00 -1.10 0.00 0.00 41.96 39.91 3f4f s TYR 62 CO 0.13 -0.10 0.33 0.20 -2.51 0.00 0.00 175.55 173.61 3f4f s GLY 63 N -3.35 1.90 -0.26 5.49 0.00 -0.27 -2.02 107.32 108.81 3f4f s GLY 63 Ca 0.33 -1.01 -0.12 0.00 0.00 0.00 0.00 44.72 43.91 3f4f s GLY 63 CO 0.11 0.92 0.25 -1.60 0.00 0.00 0.00 173.10 172.78 3f4f s ARG 64 N 1.99 4.03 -0.58 2.90 3.52 0.12 -0.44 118.95 130.48 3f4f s ARG 64 Ca 0.12 -0.16 -0.25 0.00 -0.13 0.00 0.00 55.73 55.31 3f4f s ARG 64 Cb -0.16 -3.61 0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3f4f s ARG 64 CO 0.11 -0.11 1.03 0.42 -0.81 0.00 0.00 175.30 175.94 3f4f s ILE 65 N 1.55 4.24 0.21 4.11 1.01 0.25 -0.32 121.20 132.25 3f4f s ILE 65 Ca 0.10 0.40 0.08 0.00 0.00 0.00 0.00 60.65 61.23 3f4f s ILE 65 Cb -0.15 -4.63 -0.04 0.00 0.01 0.00 0.00 42.46 37.65 3f4f s ILE 65 CO 0.08 -1.25 0.03 0.00 0.00 0.00 0.00 174.94 173.80 3f4f s ALA 66 N 4.34 3.25 0.39 9.38 0.00 0.98 -4.64 121.76 135.46 3f4f s ALA 66 Ca 0.33 -1.45 -0.25 0.00 0.00 0.00 0.00 51.96 50.58 3f4f s ALA 66 Cb -0.11 -0.98 -0.09 0.00 0.00 0.00 0.00 23.12 21.94 3f4f s ALA 66 CO 0.20 0.39 1.14 -1.25 0.00 0.00 0.00 175.76 176.24 3f4f s PRO 67 N -3.28 4.15 0.22 0.00 0.05 -1.26 -1.02 135.00 133.85 3f4f s PRO 67 Ca 0.29 1.77 -0.30 0.00 0.05 0.00 0.00 61.00 62.82 3f4f s PRO 67 Cb -0.08 -2.71 -0.08 0.00 0.05 0.00 0.00 34.50 31.67 3f4f s PRO 67 CO 0.20 -0.22 1.14 1.03 0.05 0.00 0.00 177.00 179.20 3f4f s ARG 68 N -2.23 4.56 0.15 4.56 0.52 -1.26 -4.67 118.95 120.58 3f4f s ARG 68 Ca 0.56 1.82 -0.13 0.00 -0.52 0.00 0.00 55.73 57.46 3f4f s ARG 68 Cb -0.29 -3.23 0.03 0.00 0.52 0.00 0.00 34.95 31.98 3f4f s ARG 68 CO 0.37 0.05 1.64 0.77 0.02 0.00 0.00 175.30 178.15 3f4f h SER 69 N 4.69 0.82 -0.42 0.23 0.02 -1.97 -2.81 113.55 114.11 3f4f h SER 69 Ca -0.45 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.23 3f4f h SER 69 Cb 1.21 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3f4f h SER 69 CO 0.71 0.87 0.22 1.23 -1.14 0.00 0.00 176.83 178.72 3f4f h GLY 70 N 0.73 0.63 1.66 -3.77 0.00 -1.99 -2.93 103.07 97.40 3f4f h GLY 70 Ca 0.16 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3f4f h GLY 70 CO 0.01 0.29 -0.26 1.41 0.00 0.00 0.00 176.54 177.99 3f4f h LEU 71 N 0.54 0.40 -0.08 3.11 3.38 -1.88 0.75 115.31 121.52 3f4f h LEU 71 Ca 0.14 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3f4f h LEU 71 Cb 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3f4f h LEU 71 CO -0.02 0.66 -0.02 0.00 0.09 0.00 0.00 178.44 179.15 3f4f h ALA 72 N 1.37 0.06 0.14 1.53 0.00 -1.34 -0.02 119.26 121.00 3f4f h ALA 72 Ca 0.05 0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.70 3f4f h ALA 72 Cb 0.65 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3f4f h ALA 72 CO 0.05 -0.49 -1.43 -0.39 0.00 0.00 0.00 179.25 176.99 3f4f h VAL 73 N 0.00 1.29 0.00 0.00 -1.51 -1.32 -2.17 116.25 112.54 3f4f h VAL 73 Ca 0.04 -2.88 -0.24 0.00 -1.23 0.00 0.00 66.70 62.39 3f4f h VAL 73 Cb 0.06 2.86 -0.04 0.00 -2.13 0.00 0.00 31.29 32.04 3f4f h VAL 73 CO -0.08 0.85 -1.36 0.11 -1.23 0.00 0.00 177.57 175.85 3f4f h LYS 74 N 0.08 0.00 0.00 5.19 1.57 -0.93 -3.40 116.57 119.08 3f4f h LYS 74 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3f4f h LYS 74 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 3f4f h LYS 74 CO 0.19 0.67 0.00 0.09 -0.57 0.00 0.00 179.45 179.83 3f4f n ASN 75 N -3.16 0.74 -0.80 0.86 3.02 -0.07 -5.02 115.26 110.84 3f4f n ASN 75 Ca -0.09 -0.94 -0.09 0.00 -0.03 0.00 0.00 54.58 53.43 3f4f n ASN 75 Cb 0.98 0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 40.20 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 0.08 0.80 3.74 7.41 0.00 -0.82 -4.33 105.19 112.08 3f4f n GLY 76 Ca 0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 5.05 -0.02 -0.61 -1.09 -0.91 -0.71 121.20 120.52 3f4f s ILE 77 Ca 0.00 1.15 0.04 0.00 -2.23 0.00 0.00 60.65 59.61 3f4f s ILE 77 Cb 0.00 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 3f4f s ILE 77 CO 0.00 0.36 -0.14 -1.58 -1.23 0.00 0.00 174.94 172.35 3f4f s GLN 78 N 0.26 1.30 0.31 2.79 2.00 -0.47 -3.63 119.66 122.22 3f4f s GLN 78 Ca 0.30 -0.49 -0.28 0.00 -2.00 0.00 0.00 55.36 52.89 3f4f s GLN 78 Cb -0.17 -1.20 -0.09 0.00 0.80 0.00 0.00 33.01 32.35 3f4f s GLN 78 CO 0.15 0.24 1.12 0.95 -0.50 0.00 0.00 175.29 177.25 3f4f s THR 79 N -0.09 3.40 0.55 -0.34 -4.23 -1.26 -0.28 115.64 113.39 3f4f s THR 79 Ca 0.01 1.34 0.08 0.00 -1.18 0.00 0.00 61.69 61.94 3f4f s THR 79 Cb -0.08 -3.83 0.06 0.00 1.34 0.00 0.00 72.50 69.99 3f4f s THR 79 CO 0.01 0.27 0.62 -0.83 -0.54 0.00 0.00 174.62 174.15 3f4f s GLY 80 N -0.95 1.99 0.00 3.99 0.00 0.29 -4.82 107.32 107.81 3f4f s GLY 80 Ca 0.48 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 43.40 3f4f s GLY 80 CO 0.40 -1.76 0.00 0.00 0.00 0.00 0.00 173.10 171.74 3f4f n ALA 81 N -2.02 0.00 0.00 3.20 0.00 -1.26 -4.46 120.51 115.97 3f4f n ALA 81 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 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 1.30 3.43 0.00 0.00 -1.26 -4.96 105.19 103.69 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 -2.17 4.85 -0.35 1.61 1.01 -1.26 -0.58 120.40 123.52 3f4f s VAL 83 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3f4f s VAL 83 Cb 0.00 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 3f4f s VAL 83 CO 0.00 -0.90 0.23 -0.69 0.00 0.00 0.00 175.10 173.75 3f4f s VAL 84 N 2.66 5.14 0.43 2.92 1.01 0.42 -4.99 120.40 127.98 3f4f s VAL 84 Ca 0.14 -0.34 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 3f4f s VAL 84 Cb -0.20 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 3f4f s VAL 84 CO 0.10 -0.05 1.15 -1.81 0.00 0.00 0.00 175.10 174.50 3f4f s ASP 85 N 1.69 6.39 0.54 3.32 1.11 -1.26 -1.12 116.67 127.34 3f4f s ASP 85 Ca 0.06 2.29 0.22 0.00 0.18 0.00 0.00 52.55 55.29 3f4f s ASP 85 Cb -0.18 -2.60 1.41 0.00 1.07 0.00 0.00 42.92 42.62 3f4f s ASP 85 CO 0.10 -0.77 2.09 -0.09 1.18 0.00 0.00 175.17 177.68 3f4f h ARG 86 N 2.34 0.00 -0.31 8.23 2.43 -1.93 -1.91 114.38 123.23 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 0.61 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.67 3f4f n ASP 87 N -4.31 2.04 -4.70 -3.80 3.85 -1.26 -4.55 116.55 103.82 3f4f n ASP 87 Ca 0.03 -1.88 -0.42 0.00 -0.71 0.00 0.00 54.79 51.80 3f4f n ASP 87 Cb 0.32 -0.20 -0.03 0.00 -1.35 0.00 0.00 41.12 39.86 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 -1.60 3.44 -0.05 2.11 5.04 -0.72 -4.92 117.35 120.66 3f4f s TYR 88 Ca 0.30 1.45 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 3f4f s TYR 88 Cb 0.16 -3.29 0.01 0.00 0.35 0.00 0.00 41.96 39.19 3f4f s TYR 88 CO 0.22 -0.71 0.84 0.25 -1.34 0.00 0.00 175.55 174.81 3f4f n THR 89 N 4.26 0.65 -1.31 4.34 -2.24 -1.26 -4.66 114.28 114.07 3f4f n THR 89 Ca 0.09 -0.82 -0.30 0.00 -2.27 0.00 0.00 64.05 60.74 3f4f n THR 89 Cb 0.48 0.68 0.24 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.66 1.65 0.16 3.38 0.00 -1.26 -4.89 107.32 105.70 3f4f s GLY 90 Ca 0.01 -1.10 -0.31 0.00 0.00 0.00 0.00 44.72 43.32 3f4f s GLY 90 CO 0.01 -0.21 1.39 1.85 0.00 0.00 0.00 173.10 176.14 3f4f s GLU 91 N -5.60 4.32 0.03 2.90 2.12 -1.26 -4.46 118.70 116.75 3f4f s GLU 91 Ca 0.73 2.13 -0.30 0.00 0.36 0.00 0.00 54.97 57.88 3f4f s GLU 91 Cb -0.07 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 3f4f s GLU 91 CO 0.55 -0.40 1.07 0.08 -0.54 0.00 0.00 175.26 176.02 3f4f s VAL 92 N 0.70 4.52 -0.03 3.70 1.01 0.27 -5.00 120.40 125.57 3f4f s VAL 92 Ca 0.62 1.81 0.07 0.00 0.00 0.00 0.00 61.98 64.48 3f4f s VAL 92 Cb -0.38 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 3f4f s VAL 92 CO 0.34 0.14 -0.22 -0.54 0.00 0.00 0.00 175.10 174.82 3f4f s LYS 93 N 1.01 2.22 -0.31 2.72 -0.14 -1.26 -3.97 119.74 120.01 3f4f s LYS 93 Ca 0.55 -0.86 -0.11 0.00 -1.36 0.00 0.00 55.97 54.19 3f4f s LYS 93 Cb -0.25 -2.14 -0.02 0.00 -1.68 0.00 0.00 37.83 33.74 3f4f s LYS 93 CO 0.29 0.58 0.18 0.08 -0.76 0.00 0.00 175.35 175.71 3f4f s VAL 94 N -0.66 4.92 -0.18 3.17 1.01 -0.77 -4.92 120.40 122.97 3f4f s VAL 94 Ca 0.11 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 3f4f s VAL 94 Cb -0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3f4f s VAL 94 CO -0.00 0.10 0.57 -0.69 0.00 0.00 0.00 175.10 175.08 3f4f s VAL 95 N 1.67 5.08 -0.08 2.92 1.01 -1.26 0.03 120.40 129.77 3f4f s VAL 95 Ca 0.06 1.08 0.04 0.00 0.00 0.00 0.00 61.98 63.15 3f4f s VAL 95 Cb -0.17 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3f4f s VAL 95 CO 0.08 0.17 -0.19 -0.76 0.00 0.00 0.00 175.10 174.40 3f4f s LEU 96 N 1.57 1.91 -0.12 3.92 1.43 -0.21 -0.55 118.68 126.63 3f4f s LEU 96 Ca 0.27 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3f4f s LEU 96 Cb -0.16 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 3f4f s LEU 96 CO 0.10 0.12 0.21 -0.36 0.23 0.00 0.00 176.35 176.65 3f4f s PHE 97 N 0.40 3.57 -0.33 0.29 0.40 0.61 -1.16 117.98 121.76 3f4f s PHE 97 Ca -0.15 0.59 -0.04 0.00 -0.60 0.00 0.00 56.93 56.73 3f4f s PHE 97 Cb -0.16 -2.09 0.05 0.00 0.51 0.00 0.00 43.02 41.32 3f4f s PHE 97 CO 0.06 0.58 0.06 1.21 0.70 0.00 0.00 175.22 177.83 3f4f s ASN 98 N -0.60 5.10 0.00 1.36 3.84 -0.21 -1.37 114.94 123.06 3f4f s ASN 98 Ca 0.16 -1.29 0.19 0.00 0.21 0.00 0.00 52.86 52.13 3f4f s ASN 98 Cb -0.13 -1.79 0.53 0.00 -0.55 0.00 0.00 41.25 39.31 3f4f s ASN 98 CO 0.05 -0.32 1.44 1.41 -2.79 0.00 0.00 177.10 176.89 3f4f n HIS 99 N 4.70 0.75 -3.17 0.43 8.25 0.11 -1.38 115.22 124.91 3f4f n HIS 99 Ca -0.12 -0.37 -0.18 0.00 -0.26 0.00 0.00 57.72 56.79 3f4f n HIS 99 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.06 5.58 0.00 0.41 1.04 -1.26 -4.78 113.70 113.63 3f4f s SER 100 Ca 0.39 -0.45 0.10 0.00 0.48 0.00 0.00 55.95 56.47 3f4f s SER 100 Cb 0.21 -0.71 0.34 0.00 0.10 0.00 0.00 66.02 65.96 3f4f s SER 100 CO 0.27 -0.70 1.26 0.00 0.98 0.00 0.00 173.24 175.05 3f4f n GLN 101 N -1.77 1.49 -3.95 4.02 6.02 -1.26 -1.66 117.38 120.27 3f4f n GLN 101 Ca 0.06 -0.76 -0.35 0.00 -0.01 0.00 0.00 57.00 55.94 3f4f n GLN 101 Cb 0.59 -1.21 -0.14 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.74 3.29 0.22 -1.09 0.52 -1.26 -4.79 118.95 114.10 3f4f s ARG 102 Ca 0.18 -0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 54.41 3f4f s ARG 102 Cb 0.09 -2.91 -0.15 0.00 0.52 0.00 0.00 34.95 32.50 3f4f s ARG 102 CO 0.13 -0.20 1.10 -0.25 0.02 0.00 0.00 175.30 176.10 3f4f n ASP 103 N 4.76 1.34 -4.31 0.23 10.43 -1.26 -4.16 116.55 123.57 3f4f n ASP 103 Ca -0.19 1.15 -0.40 0.00 2.57 0.00 0.00 54.79 57.93 3f4f n ASP 103 Cb 0.51 -1.25 -0.11 0.00 1.84 0.00 0.00 41.12 42.11 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 -0.52 3.29 -0.12 1.24 5.99 -0.06 -4.90 117.98 122.90 3f4f s PHE 104 Ca 0.67 -1.30 -0.26 0.00 0.00 0.00 0.00 56.93 56.03 3f4f s PHE 104 Cb -0.79 -2.63 -0.02 0.00 0.00 0.00 0.00 43.02 39.58 3f4f s PHE 104 CO 0.55 -0.75 0.87 0.00 -0.00 0.00 0.00 175.22 175.88 3f4f s ALA 105 N 1.47 3.42 -0.08 11.12 0.00 -1.26 -1.07 121.76 135.36 3f4f s ALA 105 Ca 0.02 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.19 3f4f s ALA 105 Cb -0.21 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3f4f s ALA 105 CO 0.04 -0.50 -0.15 0.42 0.00 0.00 0.00 175.76 175.57 3f4f s ILE 106 N 1.76 2.95 0.03 0.00 1.01 0.98 -5.01 121.20 122.92 3f4f s ILE 106 Ca 0.42 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3f4f s ILE 106 Cb -0.18 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3f4f s ILE 106 CO 0.16 0.57 -0.15 -0.54 0.00 0.00 0.00 174.94 174.98 3f4f s LYS 107 N -0.33 2.20 -0.01 2.79 -0.14 -1.26 -1.52 119.74 121.46 3f4f s LYS 107 Ca 0.03 -0.91 -0.40 0.00 -1.36 0.00 0.00 55.97 53.33 3f4f s LYS 107 Cb -0.13 -2.27 -0.20 0.00 -1.68 0.00 0.00 37.83 33.56 3f4f s LYS 107 CO 0.02 0.56 1.11 1.17 -0.76 0.00 0.00 175.35 177.45 3f4f n LYS 108 N 1.57 0.08 -0.02 1.68 4.81 -1.26 -0.56 118.16 124.46 3f4f n LYS 108 Ca -0.16 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.31 3f4f n LYS 108 Cb 0.52 -1.54 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 1.67 0.65 3.78 3.14 0.00 0.10 -4.96 105.19 109.56 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 -2.49 7.00 -0.04 1.61 1.01 0.27 -4.76 116.67 119.27 3f4f s ASP 110 Ca 0.00 2.02 -0.28 0.00 0.71 0.00 0.00 52.55 55.01 3f4f s ASP 110 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 3f4f s ASP 110 CO 0.00 -0.32 0.89 -0.13 0.21 0.00 0.00 175.17 175.83 3f4f s ARG 111 N -2.19 4.49 0.00 8.23 0.52 -1.26 -0.52 118.95 128.23 3f4f s ARG 111 Ca 0.53 1.23 0.00 0.00 -0.52 0.00 0.00 55.73 56.98 3f4f s ARG 111 Cb -0.23 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 31.77 3f4f s ARG 111 CO 0.29 -0.07 0.00 1.55 0.02 0.00 0.00 175.30 177.09 3f4f n VAL 112 N 4.00 0.00 -3.96 3.52 3.14 -0.27 -4.95 118.33 119.80 3f4f n VAL 112 Ca 0.04 -0.11 0.00 0.00 -2.96 0.00 0.00 64.34 61.32 3f4f n VAL 112 Cb 0.51 0.55 0.02 0.00 -1.06 0.00 0.00 33.84 33.85 3f4f n VAL 112 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3f4f s ALA 113 N -1.21 -2.11 0.03 1.55 0.00 -1.24 -4.63 121.76 114.16 3f4f s ALA 113 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 51.82 3f4f s ALA 113 Cb 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 3f4f s ALA 113 CO 0.00 -1.12 -0.09 1.14 0.00 0.00 0.00 175.76 175.69 3f4f s GLN 114 N -2.03 0.60 -0.22 0.00 -2.07 -0.19 -0.46 119.66 115.29 3f4f s GLN 114 Ca 0.27 -0.61 -0.13 0.00 -1.82 0.00 0.00 55.36 53.07 3f4f s GLN 114 Cb -0.02 -0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 31.36 3f4f s GLN 114 CO 0.02 0.11 0.28 -1.17 -1.32 0.00 0.00 175.29 173.21 3f4f s LEU 115 N -1.09 4.13 -0.13 2.60 2.96 0.18 -0.01 118.68 127.33 3f4f s LEU 115 Ca -0.04 0.30 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3f4f s LEU 115 Cb -0.07 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 3f4f s LEU 115 CO 0.00 -0.01 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.22 3f4f s ILE 116 N 1.21 2.63 -1.14 6.68 1.01 0.56 -0.43 121.20 131.72 3f4f s ILE 116 Ca 0.13 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3f4f s ILE 116 Cb -0.14 -2.08 0.11 0.00 0.01 0.00 0.00 42.46 40.36 3f4f s ILE 116 CO 0.06 0.53 1.46 -0.76 0.00 0.00 0.00 174.94 176.24 3f4f s LEU 117 N 0.47 4.42 -0.04 2.97 1.43 -1.26 -0.71 118.68 125.96 3f4f s LEU 117 Ca -0.12 -2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 50.32 3f4f s LEU 117 Cb -0.16 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 3f4f s LEU 117 CO 0.05 -1.07 1.10 -1.61 0.23 0.00 0.00 176.35 175.05 3f4f s GLU 118 N 3.19 4.43 0.21 1.70 0.41 -0.86 -4.87 118.70 122.92 3f4f s GLU 118 Ca 0.45 1.56 -0.30 0.00 -0.41 0.00 0.00 54.97 56.26 3f4f s GLU 118 Cb -0.01 -3.49 -0.08 0.00 -1.78 0.00 0.00 34.13 28.77 3f4f s GLU 118 CO -0.01 -0.29 0.93 0.15 -0.49 0.00 0.00 175.26 175.55 3f4f s LYS 119 N 1.68 4.81 0.12 1.61 1.02 -1.26 -1.79 119.74 125.93 3f4f s LYS 119 Ca 0.53 1.46 -0.04 0.00 0.02 0.00 0.00 55.97 57.94 3f4f s LYS 119 Cb -0.23 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 3f4f s LYS 119 CO 0.23 0.46 0.12 0.96 -0.92 0.00 0.00 175.35 176.20 3f4f s ILE 120 N -0.92 0.12 -0.47 2.17 -4.36 -0.47 -4.96 121.20 112.31 3f4f s ILE 120 Ca 0.42 -1.66 -0.25 0.00 -0.26 0.00 0.00 60.65 58.90 3f4f s ILE 120 Cb -0.25 -1.82 0.03 0.00 1.25 0.00 0.00 42.46 41.67 3f4f s ILE 120 CO 0.31 -0.53 0.92 -0.69 0.24 0.00 0.00 174.94 175.20 3f4f s VAL 121 N -3.98 4.47 -2.51 8.37 1.01 -1.26 -4.67 120.40 121.82 3f4f s VAL 121 Ca 0.17 0.70 0.23 0.00 0.00 0.00 0.00 61.98 63.07 3f4f s VAL 121 Cb 0.06 -4.44 0.10 0.00 0.00 0.00 0.00 36.38 32.10 3f4f s VAL 121 CO -0.02 -0.86 1.16 -0.90 0.00 0.00 0.00 175.10 174.48 3f4f n ASP 122 N 7.18 2.54 -1.83 3.32 3.85 -1.26 -4.44 116.55 125.92 3f4f n ASP 122 Ca 0.06 -1.77 -0.09 0.00 -0.71 0.00 0.00 54.79 52.28 3f4f n ASP 122 Cb 0.48 0.20 0.07 0.00 -1.35 0.00 0.00 41.12 40.52 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 0.76 3.03 -4.77 -1.12 3.85 -1.26 -5.08 116.55 111.95 3f4f n ASP 123 Ca 0.12 -3.21 -0.34 0.00 -0.71 0.00 0.00 54.79 50.65 3f4f n ASP 123 Cb 0.53 -0.41 0.04 0.00 -1.35 0.00 0.00 41.12 39.92 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 -3.16 2.53 -0.22 2.12 0.00 -1.26 -5.03 121.76 116.73 3f4f s ALA 124 Ca 0.41 0.64 -0.07 0.00 0.00 0.00 0.00 51.96 52.93 3f4f s ALA 124 Cb 0.38 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 3f4f s ALA 124 CO -0.03 -1.15 0.07 -0.65 0.00 0.00 0.00 175.76 174.00 3f4f s GLN 125 N -3.86 3.79 -0.12 0.00 -1.52 -1.26 -5.09 119.66 111.61 3f4f s GLN 125 Ca 0.69 -0.42 -0.23 0.00 -1.95 0.00 0.00 55.36 53.44 3f4f s GLN 125 Cb -0.22 -3.27 -0.03 0.00 -0.22 0.00 0.00 33.01 29.27 3f4f s GLN 125 CO 0.37 0.02 0.72 0.42 -0.25 0.00 0.00 175.29 176.57 3f4f s ILE 126 N 1.06 5.00 -0.09 1.08 1.01 -1.26 -5.05 121.20 122.95 3f4f s ILE 126 Ca 0.04 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.15 3f4f s ILE 126 Cb -0.14 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.30 3f4f s ILE 126 CO 0.03 0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 174.31 3f4f s VAL 127 N 1.38 1.33 -0.15 2.92 1.01 -1.26 -5.12 120.40 120.50 3f4f s VAL 127 Ca 0.36 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 3f4f s VAL 127 Cb -0.17 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3f4f s VAL 127 CO 0.15 0.40 0.35 -0.69 0.00 0.00 0.00 175.10 175.31 3f4f s VAL 128 N 0.90 5.27 0.15 2.92 1.01 -1.26 -5.07 120.40 124.33 3f4f s VAL 128 Ca -0.09 0.66 0.07 0.00 0.00 0.00 0.00 61.98 62.62 3f4f s VAL 128 Cb -0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 3f4f s VAL 128 CO 0.00 0.36 -0.16 0.68 0.00 0.00 0.00 175.10 175.98 3f4f s VAL 129 N 0.59 1.63 0.22 2.92 -7.23 -1.26 -5.05 120.40 112.23 3f4f s VAL 129 Ca 0.19 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 3f4f s VAL 129 Cb -0.14 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 3f4f s VAL 129 CO 0.06 -0.39 1.55 0.44 -0.31 0.00 0.00 175.10 176.45 3f4f h ASP 130 N 3.25 0.41 -4.97 4.85 3.32 -2.10 -3.46 116.42 117.71 3f4f h ASP 130 Ca -0.41 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.32 3f4f h ASP 130 Cb 1.20 -0.12 -0.20 0.00 0.22 0.00 0.00 39.33 40.44 3f4f h ASP 130 CO 0.52 0.89 -0.13 -0.94 -1.72 0.00 0.00 179.24 177.85 3f4f s SER 131 N -6.90 -0.33 0.44 6.45 1.04 -1.26 -5.16 113.70 107.97 3f4f s SER 131 Ca -0.05 0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.56 3f4f s SER 131 Cb 0.12 0.39 -0.06 0.00 0.10 0.00 0.00 66.02 66.57 3f4f s SER 131 CO 0.81 -0.49 0.82 -0.76 0.98 0.00 0.00 173.24 174.60 3f4f s LEU 132 N -1.26 3.74 0.19 2.42 1.43 -1.26 -5.04 118.68 118.90 3f4f s LEU 132 Ca -0.13 1.19 -0.33 0.00 -1.03 0.00 0.00 54.13 53.84 3f4f s LEU 132 Cb -0.04 -4.10 -0.13 0.00 0.03 0.00 0.00 46.19 41.96 3f4f s LEU 132 CO 0.06 -0.47 1.66 1.21 0.23 0.00 0.00 176.35 179.04 3f4f n GLU 133 N -1.53 2.53 -1.89 1.70 4.07 -1.26 -4.93 120.64 119.33 3f4f n GLU 133 Ca 0.03 0.91 -0.42 0.00 -0.06 0.00 0.00 57.16 57.62 3f4f n GLU 133 Cb 0.54 -2.73 -0.03 0.00 -0.06 0.00 0.00 31.44 29.17 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 1.05 4.19 0.25 5.31 2.12 -1.26 -5.03 118.70 125.34 3f4f s GLU 134 Ca 0.76 2.43 0.07 0.00 0.36 0.00 0.00 54.97 58.60 3f4f s GLU 134 Cb -0.57 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 3f4f s GLU 134 CO 0.35 -0.59 -0.10 -1.54 -0.54 0.00 0.00 175.26 172.83 3f4f s SER 135 N 0.84 2.74 0.19 -1.70 1.04 -1.26 -5.03 113.70 110.52 3f4f s SER 135 Ca 0.67 -1.12 -0.09 0.00 0.48 0.00 0.00 55.95 55.89 3f4f s SER 135 Cb -0.45 -0.16 0.08 0.00 0.10 0.00 0.00 66.02 65.59 3f4f s SER 135 CO 0.37 -0.26 1.66 0.00 0.98 0.00 0.00 173.24 175.99 3f4f h ALA 136 N 2.38 0.85 -0.45 5.32 0.00 -2.06 -2.82 119.26 122.48 3f4f h ALA 136 Ca -0.39 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.24 3f4f h ALA 136 Cb 1.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3f4f h ALA 136 CO 0.65 0.67 0.26 -0.09 0.00 0.00 0.00 179.25 180.74 3f4f h ARG 137 N 1.00 0.50 0.00 0.00 2.43 -1.96 -3.48 114.38 112.87 3f4f h ARG 137 Ca 0.18 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3f4f h ARG 137 Cb 0.54 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3f4f h ARG 137 CO 0.03 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.23 3f4f n GLY 138 N -1.23 2.74 0.05 2.80 0.00 -1.07 -1.64 105.19 106.85 3f4f n GLY 138 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 8.57 2.50 -2.17 4.61 0.00 -1.26 -4.86 120.51 127.90 3f4f n ALA 139 Ca 0.00 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 3f4f n ALA 139 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -0.97 1.11 0.10 0.00 0.00 -0.65 -4.97 107.32 101.95 3f4f s GLY 140 Ca 0.01 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.91 3f4f s GLY 140 CO 0.01 2.96 0.15 -0.32 0.00 0.00 0.00 173.10 175.90 3f4f s GLY 141 N 4.42 0.30 -1.57 0.20 0.00 -1.26 -4.92 107.32 104.49 3f4f s GLY 141 Ca 0.69 -0.85 -0.15 0.00 0.00 0.00 0.00 44.72 44.42 3f4f s GLY 141 CO 0.30 -0.96 0.94 0.69 0.00 0.00 0.00 173.10 174.07 3f4f n PHE 142 N -0.05 -2.18 1.84 1.90 3.01 -1.26 -5.28 117.46 115.43 3f4f n PHE 142 Ca -0.13 0.88 0.15 0.00 1.01 0.00 0.00 57.45 59.37 3f4f n PHE 142 Cb 0.62 -3.77 0.81 0.00 -0.01 0.00 0.00 39.48 37.13 3f4f n PHE 142 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18