#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4t s VAL 17 N 0.00 0.16 0.24 1.59 -7.23 -1.26 -5.12 120.40 108.78 2o4t s VAL 17 Ca 0.00 -1.29 -0.31 0.00 -1.81 0.00 0.00 61.98 58.58 2o4t s VAL 17 Cb 0.00 -0.81 -0.14 0.00 0.56 0.00 0.00 36.38 35.99 2o4t s VAL 17 CO 0.00 -0.71 1.25 -0.24 -0.31 0.00 0.00 175.10 175.09 2o4t n SER 18 N 0.95 2.08 0.32 4.85 2.88 -1.26 -4.85 113.62 118.60 2o4t n SER 18 Ca -0.20 1.16 0.21 0.00 -1.33 0.00 0.00 58.87 58.71 2o4t n SER 18 Cb 0.58 -1.35 1.11 0.00 -0.75 0.00 0.00 64.21 63.80 2o4t n SER 18 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2o4t h ARG 19 N 3.36 0.00 -0.65 -1.46 3.08 -1.99 -0.68 114.38 116.03 2o4t h ARG 19 Ca -0.44 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.63 2o4t h ARG 19 Cb 1.31 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 2o4t h ARG 19 CO 0.70 0.00 0.42 0.28 -1.07 0.00 0.00 179.97 180.30 2o4t h VAL 20 N 0.00 1.13 0.00 2.04 2.07 -1.99 -2.11 116.25 117.40 2o4t h VAL 20 Ca 0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2o4t h VAL 20 Cb 0.09 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2o4t h VAL 20 CO -0.00 0.15 0.00 -0.62 0.02 0.00 0.00 177.57 177.12 2o4t n GLU 21 N -4.66 0.05 0.00 1.57 -0.58 -0.27 -2.16 120.64 114.59 2o4t n GLU 21 Ca 0.06 0.16 0.12 0.00 -0.42 0.00 0.00 57.16 57.08 2o4t n GLU 21 Cb 0.04 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.62 2o4t n GLU 21 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2o4t n LYS 22 N -1.46 0.74 -1.66 3.49 5.02 -0.81 -4.93 118.16 118.54 2o4t n LYS 22 Ca 0.05 -0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 55.50 2o4t n LYS 22 Cb 0.21 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.79 2o4t n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2o4t s LEU 23 N -2.62 3.36 0.76 -0.35 1.43 -0.92 -5.00 118.68 115.35 2o4t s LEU 23 Ca 0.19 2.09 -0.15 0.00 -1.03 0.00 0.00 54.13 55.24 2o4t s LEU 23 Cb 0.18 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.88 2o4t s LEU 23 CO 0.59 -1.81 1.11 -2.65 0.23 0.00 0.00 176.35 173.82 2o4t n PRO 24 N -2.52 0.41 -0.37 1.29 -0.02 -1.26 -4.72 135.00 127.82 2o4t n PRO 24 Ca 0.11 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.85 2o4t n PRO 24 Cb 0.52 -2.36 0.21 0.00 -0.02 0.00 0.00 33.50 31.84 2o4t n PRO 24 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2o4t h LYS 25 N -0.50 1.06 -0.24 -0.52 -0.00 -1.96 -1.45 116.57 112.96 2o4t h LYS 25 Ca -0.47 -0.06 -0.14 0.00 -0.00 0.00 0.00 60.65 59.97 2o4t h LYS 25 Cb 1.32 -0.24 -0.01 0.00 -0.00 0.00 0.00 32.23 33.30 2o4t h LYS 25 CO 0.47 0.70 -0.43 -0.44 -0.00 0.00 0.00 179.45 179.75 2o4t h ASP 26 N 1.09 0.63 -0.65 7.07 3.32 -2.00 -1.45 116.42 124.43 2o4t h ASP 26 Ca 0.47 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 57.24 2o4t h ASP 26 Cb 0.33 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2o4t h ASP 26 CO -0.22 0.98 0.42 1.88 -1.72 0.00 0.00 179.24 180.59 2o4t h TYR 27 N 0.48 0.80 -0.53 4.55 0.05 -1.76 -2.40 116.97 118.16 2o4t h TYR 27 Ca 0.03 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.84 2o4t h TYR 27 Cb 0.95 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 2o4t h TYR 27 CO 0.04 0.49 0.35 1.96 -1.05 0.00 0.00 178.16 179.95 2o4t h GLN 28 N 0.85 0.70 -0.27 4.88 4.20 -0.59 0.56 115.11 125.44 2o4t h GLN 28 Ca 0.25 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.96 2o4t h GLN 28 Cb -0.06 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.51 2o4t h GLN 28 CO -0.07 0.46 -0.03 0.82 -0.67 0.00 0.00 178.83 179.35 2o4t h ILE 29 N 0.72 0.77 -0.29 2.54 1.08 -1.13 -0.86 117.51 120.35 2o4t h ILE 29 Ca 0.19 -0.02 -0.14 0.00 -0.39 0.00 0.00 64.86 64.51 2o4t h ILE 29 Cb -0.08 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2o4t h ILE 29 CO -0.04 0.01 -0.38 0.58 -0.69 0.00 0.00 178.15 177.63 2o4t h VAL 30 N 0.05 1.29 -0.98 1.67 2.07 -1.13 -2.31 116.25 116.91 2o4t h VAL 30 Ca 0.13 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.12 2o4t h VAL 30 Cb 0.19 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2o4t h VAL 30 CO -0.25 0.50 0.63 0.22 0.02 0.00 0.00 177.57 178.69 2o4t h TYR 31 N 0.55 1.24 -0.63 1.57 3.20 -0.51 -0.34 116.97 122.06 2o4t h TYR 31 Ca 0.05 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2o4t h TYR 31 Cb 0.90 -0.42 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2o4t h TYR 31 CO 0.04 0.79 0.18 0.87 -1.64 0.00 0.00 178.16 178.40 2o4t h LYS 32 N 1.33 0.99 -0.87 1.82 1.57 -0.85 -0.48 116.57 120.07 2o4t h LYS 32 Ca 0.36 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2o4t h LYS 32 Cb -0.13 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 31.99 2o4t h LYS 32 CO -0.07 0.88 0.55 0.93 -0.57 0.00 0.00 179.45 181.17 2o4t h GLU 33 N 0.91 1.01 -0.39 3.15 5.08 -0.74 -3.07 114.58 120.53 2o4t h GLU 33 Ca 0.20 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2o4t h GLU 33 Cb 0.32 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2o4t h GLU 33 CO -0.00 0.67 0.13 0.82 -1.00 0.00 0.00 179.01 179.63 2o4t h ILE 34 N 1.05 1.21 -1.00 3.13 2.04 -0.37 -2.04 117.51 121.53 2o4t h ILE 34 Ca 0.36 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.64 2o4t h ILE 34 Cb 0.09 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 2o4t h ILE 34 CO -0.14 0.24 0.64 1.56 0.00 0.00 0.00 178.15 180.44 2o4t h GLN 35 N 0.48 1.04 0.03 2.37 4.20 -1.02 0.28 115.11 122.50 2o4t h GLN 35 Ca 0.13 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2o4t h GLN 35 Cb 0.24 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2o4t h GLN 35 CO -0.01 0.69 -0.02 -0.22 -0.67 0.00 0.00 178.83 178.61 2o4t h LYS 36 N 1.08 -0.04 -0.42 1.46 1.63 -1.39 -2.35 116.57 116.53 2o4t h LYS 36 Ca 0.47 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.34 2o4t h LYS 36 Cb 0.34 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 31.93 2o4t h LYS 36 CO -0.22 0.40 0.07 -0.92 -3.45 0.00 0.00 179.45 175.33 2o4t h TYR 37 N -0.50 0.11 -0.18 1.91 3.20 -1.08 -2.51 116.97 117.92 2o4t h TYR 37 Ca -0.00 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 2o4t h TYR 37 Cb 0.46 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.75 2o4t h TYR 37 CO 0.08 -0.01 -0.66 -0.07 -1.64 0.00 0.00 178.16 175.87 2o4t h LEU 38 N 0.20 0.79 -0.74 2.82 3.38 -0.97 0.11 115.31 120.90 2o4t h LEU 38 Ca 0.21 -0.47 0.16 0.00 0.09 0.00 0.00 57.88 57.87 2o4t h LEU 38 Cb 0.26 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 2o4t h LEU 38 CO -0.28 1.24 0.19 0.15 0.09 0.00 0.00 178.44 179.83 2o4t h PHE 39 N 0.50 0.30 0.03 1.13 3.57 -1.36 1.68 116.94 122.79 2o4t h PHE 39 Ca -0.02 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 2o4t h PHE 39 Cb 1.25 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2o4t h PHE 39 CO 0.07 -0.07 -0.98 -0.22 -2.23 0.00 0.00 178.31 174.87 2o4t h LYS 40 N 0.28 0.13 0.00 1.11 3.64 -0.84 -3.39 116.57 117.51 2o4t h LYS 40 Ca 0.42 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 2o4t h LYS 40 Cb 0.71 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2o4t h LYS 40 CO -0.50 1.00 0.00 1.33 -2.27 0.00 0.00 179.45 179.01 2o4t n VAL 41 N -3.54 0.00 -2.70 2.00 0.24 0.30 -5.09 118.33 109.55 2o4t n VAL 41 Ca -0.03 -0.47 -0.08 0.00 -2.04 0.00 0.00 64.34 61.72 2o4t n VAL 41 Cb 0.89 1.03 0.03 0.00 -1.47 0.00 0.00 33.84 34.32 2o4t n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2o4t n GLY 42 N 0.50 1.33 3.60 7.63 0.00 0.57 -5.00 105.19 113.83 2o4t n GLY 42 Ca 0.00 -2.07 -0.46 0.00 0.00 0.00 0.00 46.02 43.48 2o4t n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2o4t n PRO 43 N -1.57 1.42 0.15 1.61 -0.02 -1.26 -4.85 135.00 130.47 2o4t n PRO 43 Ca 0.06 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 2o4t n PRO 43 Cb 0.22 -1.97 0.27 0.00 -0.02 0.00 0.00 33.50 31.99 2o4t n PRO 43 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2o4t h VAL 44 N 2.44 0.00 -3.66 -1.45 -1.51 -1.92 -3.41 116.25 106.74 2o4t h VAL 44 Ca -0.42 -0.72 -0.50 0.00 -1.23 0.00 0.00 66.70 63.83 2o4t h VAL 44 Cb 1.33 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 2o4t h VAL 44 CO 0.67 0.00 0.27 -1.61 -1.23 0.00 0.00 177.57 175.66 2o4t s GLU 45 N -3.17 4.68 0.16 5.19 8.01 -1.26 -4.94 118.70 127.37 2o4t s GLU 45 Ca 0.08 1.31 -0.16 0.00 0.01 0.00 0.00 54.97 56.21 2o4t s GLU 45 Cb 0.09 -3.21 0.07 0.00 -4.31 0.00 0.00 34.13 26.77 2o4t s GLU 45 CO 0.65 0.51 1.75 1.25 0.01 0.00 0.00 175.26 179.43 2o4t h LEU 46 N 4.09 0.13 -0.11 1.80 5.85 -1.99 -0.60 115.31 124.47 2o4t h LEU 46 Ca -0.46 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.18 2o4t h LEU 46 Cb 1.20 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2o4t h LEU 46 CO 0.67 0.11 -0.42 0.78 -0.34 0.00 0.00 178.44 179.24 2o4t h ASN 47 N 0.27 0.56 -0.40 1.25 2.35 -1.98 -0.93 115.58 116.70 2o4t h ASN 47 Ca 0.17 -0.62 -0.08 0.00 -0.55 0.00 0.00 56.30 55.22 2o4t h ASN 47 Cb 0.15 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2o4t h ASN 47 CO -0.17 1.08 -0.04 -0.33 -1.65 0.00 0.00 177.43 176.32 2o4t h GLU 48 N 0.07 0.82 -0.19 0.81 5.08 -1.94 -0.98 114.58 118.25 2o4t h GLU 48 Ca -0.02 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2o4t h GLU 48 Cb 1.05 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 2o4t h GLU 48 CO 0.09 0.85 -0.04 0.78 -1.00 0.00 0.00 179.01 179.68 2o4t h GLY 49 N 0.98 0.14 1.87 -3.84 0.00 -0.97 -1.51 103.07 99.74 2o4t h GLY 49 Ca 0.14 0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 2o4t h GLY 49 CO 0.03 -0.07 -0.40 -2.22 0.00 0.00 0.00 176.54 173.88 2o4t h ILE 50 N 0.01 1.30 -0.82 2.60 2.04 -1.02 -2.46 117.51 119.16 2o4t h ILE 50 Ca 0.09 -1.46 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 2o4t h ILE 50 Cb 0.13 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 2o4t h ILE 50 CO -0.19 0.43 0.44 1.23 0.00 0.00 0.00 178.15 180.06 2o4t h GLY 51 N 1.22 1.23 0.71 5.37 0.00 -0.98 0.16 103.07 110.79 2o4t h GLY 51 Ca 0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 2o4t h GLY 51 CO 0.06 0.54 -0.11 -2.00 0.00 0.00 0.00 176.54 175.03 2o4t h LEU 52 N 1.15 0.32 -0.62 3.11 5.85 -0.88 -1.78 115.31 122.45 2o4t h LEU 52 Ca 0.29 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.61 2o4t h LEU 52 Cb 0.05 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 2o4t h LEU 52 CO -0.04 0.72 0.30 -0.07 -0.34 0.00 0.00 178.44 179.01 2o4t h LEU 53 N -0.08 0.40 -0.33 2.25 3.38 -1.40 -0.52 115.31 119.01 2o4t h LEU 53 Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2o4t h LEU 53 Cb 0.63 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2o4t h LEU 53 CO 0.03 0.25 0.22 0.28 0.09 0.00 0.00 178.44 179.31 2o4t h SER 54 N 0.54 0.38 -0.75 -0.43 0.02 -0.55 0.50 113.55 113.27 2o4t h SER 54 Ca 0.29 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.27 2o4t h SER 54 Cb 0.27 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 2o4t h SER 54 CO -0.23 0.27 0.47 -0.08 -1.14 0.00 0.00 176.83 176.13 2o4t h GLU 55 N 0.45 0.89 -0.42 3.45 4.81 -0.88 -1.98 114.58 120.90 2o4t h GLU 55 Ca 0.12 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2o4t h GLU 55 Cb -0.05 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 2o4t h GLU 55 CO -0.03 0.59 -0.03 0.82 -0.73 0.00 0.00 179.01 179.63 2o4t h ILE 56 N 0.92 1.27 -0.72 2.32 2.04 -0.71 -1.94 117.51 120.68 2o4t h ILE 56 Ca 0.30 -1.08 0.14 0.00 1.00 0.00 0.00 64.86 65.22 2o4t h ILE 56 Cb 0.02 1.12 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 2o4t h ILE 56 CO -0.11 0.37 0.25 0.25 0.00 0.00 0.00 178.15 178.91 2o4t h LEU 57 N 0.59 0.20 -0.69 1.44 5.85 -0.60 -1.93 115.31 120.17 2o4t h LEU 57 Ca 0.12 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 2o4t h LEU 57 Cb 0.53 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2o4t h LEU 57 CO 0.03 0.07 0.24 1.23 -0.34 0.00 0.00 178.44 179.67 2o4t h GLY 58 N 0.39 1.12 -0.21 3.75 0.00 -0.92 0.19 103.07 107.39 2o4t h GLY 58 Ca 0.40 -0.64 0.19 0.00 0.00 0.00 0.00 47.33 47.28 2o4t h GLY 58 CO -0.42 0.60 0.22 0.74 0.00 0.00 0.00 176.54 177.68 2o4t h PHE 59 N 0.99 0.34 -0.11 5.60 -1.00 -0.86 -1.47 116.94 120.43 2o4t h PHE 59 Ca 0.22 0.05 -0.16 0.00 2.81 0.00 0.00 57.97 60.89 2o4t h PHE 59 Cb 0.25 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.80 2o4t h PHE 59 CO 0.02 -0.12 -0.55 0.74 -1.61 0.00 0.00 178.31 176.79 2o4t h PHE 60 N 0.27 0.76 -0.47 -0.55 -1.00 -0.54 0.54 116.94 115.96 2o4t h PHE 60 Ca 0.48 -0.34 0.02 0.00 2.81 0.00 0.00 57.97 60.94 2o4t h PHE 60 Cb 0.87 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 40.28 2o4t h PHE 60 CO -0.25 1.12 0.28 0.93 -1.61 0.00 0.00 178.31 178.78 2o4t h GLU 61 N 0.18 0.55 -0.29 1.51 5.08 -0.52 0.04 114.58 121.12 2o4t h GLU 61 Ca -0.04 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 2o4t h GLU 61 Cb 1.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2o4t h GLU 61 CO 0.11 0.36 -0.41 1.49 -1.00 0.00 0.00 179.01 179.57 2o4t h GLU 62 N 0.57 0.70 -0.19 2.33 4.57 -1.17 -1.69 114.58 119.70 2o4t h GLU 62 Ca 0.19 -0.37 0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2o4t h GLU 62 Cb 0.00 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 2o4t h GLU 62 CO -0.08 0.98 -0.32 0.78 -1.18 0.00 0.00 179.01 179.19 2o4t h GLY 63 N 0.96 -0.41 0.32 1.92 0.00 -0.69 0.90 103.07 106.06 2o4t h GLY 63 Ca 0.04 0.40 0.06 0.00 0.00 0.00 0.00 47.33 47.84 2o4t h GLY 63 CO 0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 176.54 176.30 2o4t h ALA 64 N 0.48 0.14 -0.23 3.60 0.00 -0.87 -1.58 119.26 120.79 2o4t h ALA 64 Ca 0.11 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2o4t h ALA 64 Cb 0.54 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2o4t h ALA 64 CO -0.39 -0.51 0.02 0.00 0.00 0.00 0.00 179.25 178.38 2o4t h ALA 65 N 1.20 1.62 0.00 0.00 0.00 -1.01 -1.32 119.26 119.75 2o4t h ALA 65 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2o4t h ALA 65 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2o4t h ALA 65 CO -0.34 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2o4t n ALA 66 N -2.49 2.46 -1.05 0.00 0.00 0.28 -4.92 120.51 114.80 2o4t n ALA 66 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2o4t n ALA 66 Cb 0.18 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2o4t n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o4t n GLY 67 N 1.15 0.51 3.84 0.00 0.00 -0.50 -5.04 105.19 105.16 2o4t n GLY 67 Ca 0.15 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2o4t n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o4t s LYS 68 N -1.94 4.05 0.42 1.61 -0.14 -0.63 -5.03 119.74 118.08 2o4t s LYS 68 Ca 0.00 0.70 -0.20 0.00 -1.36 0.00 0.00 55.97 55.10 2o4t s LYS 68 Cb 0.00 -2.55 -0.11 0.00 -1.68 0.00 0.00 37.83 33.50 2o4t s LYS 68 CO 0.00 0.22 0.94 0.20 -0.76 0.00 0.00 175.35 175.95 2o4t s GLY 69 N -2.13 2.38 0.30 -3.33 0.00 -1.26 -4.36 107.32 98.92 2o4t s GLY 69 Ca 0.51 0.37 0.07 0.00 0.00 0.00 0.00 44.72 45.67 2o4t s GLY 69 CO 0.18 0.65 1.72 -0.24 0.00 0.00 0.00 173.10 175.41 2o4t h VAL 70 N 1.89 0.54 0.00 1.40 3.04 -1.94 0.13 116.25 121.31 2o4t h VAL 70 Ca -0.49 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2o4t h VAL 70 Cb 1.18 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 2o4t h VAL 70 CO 0.61 0.10 0.00 -0.07 -1.01 0.00 0.00 177.57 177.20 2o4t h LEU 71 N 0.54 0.00 -1.14 3.16 3.38 -1.93 -1.21 115.31 118.10 2o4t h LEU 71 Ca 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.57 2o4t h LEU 71 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2o4t h LEU 71 CO -0.48 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 178.49 2o4t h ASP 72 N 0.00 0.00 0.00 -0.43 3.32 -1.07 0.48 116.42 118.73 2o4t h ASP 72 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2o4t h ASP 72 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2o4t h ASP 72 CO 0.00 0.00 -0.59 0.58 -1.72 0.00 0.00 179.24 177.51 2o4t h VAL 73 N 0.00 0.93 0.00 -1.35 2.07 -1.17 -3.41 116.25 113.32 2o4t h VAL 73 Ca -0.00 -1.90 -0.16 0.00 0.82 0.00 0.00 66.70 65.46 2o4t h VAL 73 Cb 0.62 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2o4t h VAL 73 CO 0.00 0.32 -1.02 0.71 0.02 0.00 0.00 177.57 177.60 2o4t h THR 74 N -1.00 0.88 -0.13 2.57 1.35 -1.36 -3.51 112.91 111.70 2o4t h THR 74 Ca -0.14 -2.39 0.01 0.00 -0.55 0.00 0.00 66.41 63.34 2o4t h THR 74 Cb 0.92 2.36 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 2o4t h THR 74 CO -0.09 0.50 -0.04 0.61 -0.25 0.00 0.00 175.52 176.26 2o4t n GLY 75 N 1.34 -2.11 0.19 5.82 0.00 0.17 -4.55 105.19 106.05 2o4t n GLY 75 Ca -0.04 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.57 2o4t n GLY 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2o4t h THR 76 N -0.05 0.85 -1.95 2.61 1.35 -1.97 -3.30 112.91 110.45 2o4t h THR 76 Ca -0.00 -1.46 -0.74 0.00 -0.55 0.00 0.00 66.41 63.65 2o4t h THR 76 Cb 0.05 1.90 -0.17 0.00 -1.73 0.00 0.00 68.15 68.20 2o4t h THR 76 CO 0.00 0.35 1.55 -0.67 -0.25 0.00 0.00 175.52 176.50 2o4t n ASP 77 N -3.53 5.19 -0.35 5.36 -0.08 -1.26 -4.82 116.55 117.05 2o4t n ASP 77 Ca -0.00 -3.01 -0.01 0.00 -1.51 0.00 0.00 54.79 50.25 2o4t n ASP 77 Cb 0.50 -1.55 0.14 0.00 2.34 0.00 0.00 41.12 42.55 2o4t n ASP 77 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2o4t h VAL 78 N 4.40 1.23 -0.64 5.18 2.07 -1.82 -2.46 116.25 124.23 2o4t h VAL 78 Ca 0.34 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2o4t h VAL 78 Cb 0.80 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2o4t h VAL 78 CO 1.35 0.24 0.40 0.00 0.02 0.00 0.00 177.57 179.58 2o4t h ALA 79 N 1.40 0.82 -0.35 1.67 0.00 -1.94 -1.90 119.26 118.97 2o4t h ALA 79 Ca 0.36 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2o4t h ALA 79 Cb -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2o4t h ALA 79 CO -0.09 0.17 0.25 0.00 0.00 0.00 0.00 179.25 179.59 2o4t h ALA 80 N 1.26 2.33 -0.02 0.00 0.00 -1.83 0.67 119.26 121.68 2o4t h ALA 80 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2o4t h ALA 80 Cb -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2o4t h ALA 80 CO -0.09 -0.43 -0.01 0.35 0.00 0.00 0.00 179.25 179.07 2o4t h PHE 81 N 0.00 0.05 -0.31 0.00 3.57 -1.17 -2.44 116.94 116.65 2o4t h PHE 81 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2o4t h PHE 81 Cb 0.67 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2o4t h PHE 81 CO 0.00 0.46 0.20 0.00 -2.23 0.00 0.00 178.31 176.75 2o4t h ASP 83 N 0.42 0.51 0.99 0.00 3.32 -0.80 -1.06 116.42 119.79 2o4t h ASP 83 Ca 0.11 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2o4t h ASP 83 Cb -0.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2o4t h ASP 83 CO -0.02 0.30 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 2o4t h ALA 84 N 1.64 1.00 -0.02 3.45 0.00 -1.30 -2.89 119.26 121.14 2o4t h ALA 84 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2o4t h ALA 84 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2o4t h ALA 84 CO -0.11 0.00 -0.13 1.28 0.00 0.00 0.00 179.25 180.28 2o4t n LEU 85 N -2.51 2.50 -0.00 0.00 4.77 -0.41 -4.29 117.00 117.06 2o4t n LEU 85 Ca 0.02 -0.85 0.06 0.00 -0.03 0.00 0.00 56.01 55.21 2o4t n LEU 85 Cb 0.30 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2o4t n LEU 85 CO 0.24 0.43 -0.05 -0.38 -1.33 0.00 0.00 177.39 176.30 2o4t n ILE 86 N 0.78 0.00 0.29 -0.08 5.41 -1.10 -4.66 119.36 120.00 2o4t n ILE 86 Ca 0.13 -0.20 0.06 0.00 1.00 0.00 0.00 62.75 63.74 2o4t n ILE 86 Cb 0.53 0.97 0.32 0.00 -0.71 0.00 0.00 39.64 40.75 2o4t n ILE 86 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2o4t h GLY 87 N 3.00 0.00 -1.20 7.39 0.00 -1.73 -3.43 103.07 107.10 2o4t h GLY 87 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2o4t h GLY 87 CO 0.00 0.00 0.51 2.09 0.00 0.00 0.00 176.54 179.14 2o4t n ASP 88 N -2.48 -1.45 -0.70 0.19 5.68 -1.26 -5.05 116.55 111.48 2o4t n ASP 88 Ca -0.01 -1.75 0.06 0.00 -0.50 0.00 0.00 54.79 52.59 2o4t n ASP 88 Cb 0.67 2.35 0.19 0.00 -1.14 0.00 0.00 41.12 43.19 2o4t n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2o4t n SER 89 N -1.18 1.63 0.08 -1.12 3.41 -1.26 -4.77 113.62 110.41 2o4t n SER 89 Ca -0.02 -3.66 0.02 0.00 -0.26 0.00 0.00 58.87 54.95 2o4t n SER 89 Cb 0.49 -0.50 0.38 0.00 -0.26 0.00 0.00 64.21 64.33 2o4t n SER 89 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2o4t h LYS 90 N 0.98 0.35 -0.04 4.33 6.56 -1.98 -1.81 116.57 124.95 2o4t h LYS 90 Ca -0.03 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 2o4t h LYS 90 Cb 1.11 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.71 2o4t h LYS 90 CO 0.01 0.40 -0.05 1.15 -2.06 0.00 0.00 179.45 178.90 2o4t h THR 91 N 0.34 1.40 -0.34 -0.16 2.02 -1.99 -1.35 112.91 112.83 2o4t h THR 91 Ca 0.08 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.01 2o4t h THR 91 Cb 0.27 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.82 2o4t h THR 91 CO 0.01 0.34 0.17 0.22 0.37 0.00 0.00 175.52 176.63 2o4t h TYR 92 N -0.38 0.31 -0.78 3.16 3.20 -1.90 -2.63 116.97 117.95 2o4t h TYR 92 Ca 0.00 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.96 2o4t h TYR 92 Cb 0.58 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.70 2o4t h TYR 92 CO 0.10 0.16 0.45 0.00 -1.64 0.00 0.00 178.16 177.24 2o4t h ALA 93 N 1.18 1.08 0.42 1.82 0.00 -1.24 -0.14 119.26 122.37 2o4t h ALA 93 Ca 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2o4t h ALA 93 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2o4t h ALA 93 CO -0.10 0.13 -0.29 0.22 0.00 0.00 0.00 179.25 179.21 2o4t h ASP 94 N 0.80 -0.73 -0.47 0.00 3.58 -1.11 0.11 116.42 118.60 2o4t h ASP 94 Ca 0.36 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.84 2o4t h ASP 94 Cb 0.25 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2o4t h ASP 94 CO -0.21 -0.44 0.23 -0.07 -2.88 0.00 0.00 179.24 175.87 2o4t h LEU 95 N -0.68 0.64 0.16 2.28 3.38 -1.13 -0.64 115.31 119.32 2o4t h LEU 95 Ca -0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2o4t h LEU 95 Cb 0.58 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2o4t h LEU 95 CO 0.02 0.56 -0.08 0.22 0.09 0.00 0.00 178.44 179.25 2o4t h TYR 96 N 0.71 -0.20 -0.30 1.13 5.03 -0.91 -2.60 116.97 119.84 2o4t h TYR 96 Ca 0.18 -0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 2o4t h TYR 96 Cb 0.10 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.43 2o4t h TYR 96 CO 0.01 0.10 -0.00 0.37 -1.32 0.00 0.00 178.16 177.32 2o4t h GLN 97 N -0.51 0.45 -0.39 1.82 4.15 -0.65 -2.76 115.11 117.22 2o4t h GLN 97 Ca -0.02 -0.09 -0.16 0.00 0.77 0.00 0.00 58.65 59.15 2o4t h GLN 97 Cb 0.39 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2o4t h GLN 97 CO 0.04 0.48 -0.37 1.05 -1.93 0.00 0.00 178.83 178.10 2o4t h GLU 98 N 0.44 0.93 -0.49 1.69 9.09 -1.12 -2.04 114.58 123.08 2o4t h GLU 98 Ca 0.10 -0.48 -0.00 0.00 0.05 0.00 0.00 59.36 59.03 2o4t h GLU 98 Cb 0.29 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.38 2o4t h GLU 98 CO 0.01 1.13 0.30 0.77 0.05 0.00 0.00 179.01 181.28 2o4t h SER 99 N 0.76 0.59 0.78 3.06 0.02 -1.19 -1.34 113.55 116.24 2o4t h SER 99 Ca 0.07 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2o4t h SER 99 Cb 0.96 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.36 2o4t h SER 99 CO 0.09 0.46 -0.38 0.40 -1.14 0.00 0.00 176.83 176.27 2o4t h ILE 100 N 0.66 0.23 -1.08 3.27 2.04 -1.44 0.30 117.51 121.49 2o4t h ILE 100 Ca 0.18 -0.01 0.39 0.00 1.00 0.00 0.00 64.86 66.42 2o4t h ILE 100 Cb -0.02 0.23 -0.16 0.00 -0.74 0.00 0.00 36.82 36.13 2o4t h ILE 100 CO -0.03 0.00 0.63 -0.61 0.00 0.00 0.00 178.15 178.14 2o4t h GLN 101 N -1.06 0.13 0.06 2.37 5.75 -1.18 -0.31 115.11 120.87 2o4t h GLN 101 Ca -0.11 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2o4t h GLN 101 Cb 0.81 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2o4t h GLN 101 CO 0.18 0.08 -0.03 1.96 -2.65 0.00 0.00 178.83 178.37 2o4t h GLN 102 N 0.13 -0.08 -0.30 1.69 4.20 -0.88 -3.32 115.11 116.54 2o4t h GLN 102 Ca 0.80 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.61 2o4t h GLN 102 Cb 2.14 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.93 2o4t h GLN 102 CO -0.63 0.51 0.70 0.45 -0.67 0.00 0.00 178.83 179.20 2o4t h HIS 103 N -0.86 0.00 -0.36 2.96 3.86 0.14 7.83 115.15 128.71 2o4t h HIS 103 Ca -0.01 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 2o4t h HIS 103 Cb 0.63 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.01 2o4t h HIS 103 CO 0.15 0.00 -0.31 0.28 0.86 0.00 0.00 177.93 178.91 2o4t h VAL 104 N 0.00 0.26 0.00 2.45 2.07 -1.57 -3.51 116.25 115.95 2o4t h VAL 104 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 2o4t h VAL 104 Cb 1.54 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2o4t h VAL 104 CO -0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06