#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xac n ARG 12 N 0.00 0.00 -4.22 -1.09 -4.01 -1.26 -5.04 116.66 101.04 2xac n ARG 12 Ca 0.00 0.00 -0.28 0.00 -1.04 0.00 0.00 57.85 56.53 2xac n ARG 12 Cb 0.00 0.00 -0.09 0.00 -3.04 0.00 0.00 32.46 29.33 2xac n ARG 12 CO 0.00 0.00 0.00 0.15 -3.04 0.00 0.00 177.63 174.74 2xac s LYS 13 N 0.00 2.24 -0.16 2.89 -0.14 -1.26 -5.07 119.74 118.23 2xac s LYS 13 Ca 0.00 -1.08 -0.29 0.00 -1.36 0.00 0.00 55.97 53.24 2xac s LYS 13 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.80 2xac s LYS 13 CO 0.00 0.48 1.69 0.08 -0.76 0.00 0.00 175.35 176.84 2xac s VAL 14 N -1.47 3.58 -0.02 3.17 1.01 -1.26 -4.93 120.40 120.47 2xac s VAL 14 Ca 0.24 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 2xac s VAL 14 Cb -0.10 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 2xac s VAL 14 CO 0.16 -0.19 1.82 -0.69 0.00 0.00 0.00 175.10 176.20 2xac s VAL 15 N 5.09 3.30 0.53 2.92 1.01 -1.26 -4.92 120.40 127.07 2xac s VAL 15 Ca 0.75 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.87 2xac s VAL 15 Cb -0.29 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2xac s VAL 15 CO 0.30 -0.04 1.27 -0.55 0.00 0.00 0.00 175.10 176.08 2xac s SER 16 N 4.09 5.54 0.17 3.32 0.15 -1.26 -4.69 113.70 121.02 2xac s SER 16 Ca 0.81 2.56 -0.18 0.00 0.70 0.00 0.00 55.95 59.85 2xac s SER 16 Cb -0.37 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.42 2xac s SER 16 CO 0.35 -1.37 1.65 -0.25 1.20 0.00 0.00 173.24 174.82 2xac h TRP 17 N 1.56 -0.36 -0.93 3.44 7.01 -1.99 0.53 115.95 125.21 2xac h TRP 17 Ca -0.50 0.04 0.25 0.00 2.11 0.00 0.00 58.89 60.79 2xac h TRP 17 Cb 1.28 0.22 -0.17 0.00 -2.10 0.00 0.00 29.16 28.39 2xac h TRP 17 CO 0.48 -0.23 -0.01 0.44 -2.79 0.00 0.00 178.44 176.33 2xac n ILE 18 N -5.35 -0.39 0.10 2.65 -5.35 -1.26 0.14 119.36 109.90 2xac n ILE 18 Ca 0.02 2.06 -0.15 0.00 -0.27 0.00 0.00 62.75 64.42 2xac n ILE 18 Cb 0.26 -2.99 -0.13 0.00 -1.74 0.00 0.00 39.64 35.03 2xac n ILE 18 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 2xac h ASP 19 N 0.00 0.37 -0.28 7.28 3.45 -1.29 0.32 116.42 126.26 2xac h ASP 19 Ca 0.55 -0.40 0.02 0.00 0.43 0.00 0.00 57.03 57.64 2xac h ASP 19 Cb 1.10 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.73 2xac h ASP 19 CO -0.89 1.31 0.13 0.58 -1.57 0.00 0.00 179.24 178.80 2xac h VAL 20 N 0.07 0.97 0.05 -1.35 2.07 0.25 0.46 116.25 118.78 2xac h VAL 20 Ca -0.12 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 2xac h VAL 20 Cb 1.94 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2xac h VAL 20 CO 0.19 0.05 -0.03 0.22 0.02 0.00 0.00 177.57 178.03 2xac h TYR 21 N 0.27 -0.07 -0.30 1.57 3.20 -0.23 -2.97 116.97 118.45 2xac h TYR 21 Ca 0.12 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.04 2xac h TYR 21 Cb 0.05 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.27 2xac h TYR 21 CO -0.11 0.26 -0.50 1.15 -1.64 0.00 0.00 178.16 177.32 2xac h THR 22 N -0.41 0.05 -0.28 1.81 2.02 -0.18 -1.11 112.91 114.80 2xac h THR 22 Ca -0.01 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.91 2xac h THR 22 Cb 0.36 0.05 -0.10 0.00 -1.74 0.00 0.00 68.15 66.72 2xac h THR 22 CO 0.01 0.00 -0.16 0.54 0.37 0.00 0.00 175.52 176.28 2xac n ARG 23 N -5.41 2.06 0.00 6.66 1.74 0.16 -3.17 116.66 118.70 2xac n ARG 23 Ca -0.03 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.74 2xac n ARG 23 Cb 0.36 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 2xac n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xac n ALA 24 N 2.01 0.63 -1.98 7.54 0.00 -0.44 -4.87 120.51 123.41 2xac n ALA 24 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 2xac n ALA 24 Cb 0.80 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.29 2xac n ALA 24 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2xac s THR 25 N 0.00 2.68 -0.54 0.00 -4.23 -1.10 -2.31 115.64 110.15 2xac s THR 25 Ca 0.00 -0.68 -0.27 0.00 -1.18 0.00 0.00 61.69 59.56 2xac s THR 25 Cb 0.00 -3.00 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 2xac s THR 25 CO 0.00 -0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.07 2xac s GLN 27 N 7.12 0.79 0.07 0.00 -2.07 -0.56 -4.63 119.66 120.37 2xac s GLN 27 Ca 0.77 -0.75 -0.31 0.00 -1.82 0.00 0.00 55.36 53.25 2xac s GLN 27 Cb -0.15 0.33 -0.07 0.00 -1.09 0.00 0.00 33.01 32.02 2xac s GLN 27 CO 0.24 -0.24 1.44 -1.25 -1.32 0.00 0.00 175.29 174.15 2xac s PRO 28 N -3.15 4.29 0.02 9.60 0.04 -1.26 -1.13 135.00 143.41 2xac s PRO 28 Ca -0.01 2.08 -0.08 0.00 0.04 0.00 0.00 61.00 63.03 2xac s PRO 28 Cb 0.02 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2xac s PRO 28 CO -0.07 -0.54 0.16 -0.98 0.04 0.00 0.00 177.00 175.61 2xac s ARG 29 N 1.82 0.58 -0.01 4.56 1.70 0.14 -4.75 118.95 122.98 2xac s ARG 29 Ca 0.66 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 55.09 2xac s ARG 29 Cb -0.35 0.24 -0.06 0.00 -0.57 0.00 0.00 34.95 34.21 2xac s ARG 29 CO 0.29 -0.15 1.61 -1.21 -1.08 0.00 0.00 175.30 174.76 2xac s GLU 30 N -1.99 4.20 0.02 3.89 0.41 -1.26 -0.47 118.70 123.50 2xac s GLU 30 Ca -0.10 2.19 0.08 0.00 -0.41 0.00 0.00 54.97 56.74 2xac s GLU 30 Cb -0.04 -3.82 -0.02 0.00 -1.78 0.00 0.00 34.13 28.46 2xac s GLU 30 CO -0.01 -0.78 -0.24 0.08 -0.49 0.00 0.00 175.26 173.82 2xac s VAL 31 N 3.42 1.94 -0.31 2.63 1.01 -0.42 -4.93 120.40 123.74 2xac s VAL 31 Ca 0.72 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 2xac s VAL 31 Cb -0.35 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2xac s VAL 31 CO 0.30 0.38 0.88 -0.69 0.00 0.00 0.00 175.10 175.96 2xac s VAL 32 N -0.72 4.70 -0.42 2.92 1.01 -1.26 -1.94 120.40 124.69 2xac s VAL 32 Ca 0.10 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.32 2xac s VAL 32 Cb -0.09 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.12 2xac s VAL 32 CO 0.01 -0.32 0.28 -0.69 0.00 0.00 0.00 175.10 174.38 2xac s VAL 33 N 3.17 4.56 0.14 2.92 1.01 0.26 -4.93 120.40 127.53 2xac s VAL 33 Ca 0.36 -1.17 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 2xac s VAL 33 Cb -0.14 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2xac s VAL 33 CO 0.13 -0.45 1.35 -2.84 0.00 0.00 0.00 175.10 173.29 2xac s PRO 34 N 1.51 4.35 -0.64 2.72 0.02 -1.26 -0.41 135.00 141.29 2xac s PRO 34 Ca 0.03 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 2xac s PRO 34 Cb -0.22 -3.24 0.34 0.00 0.02 0.00 0.00 34.50 31.39 2xac s PRO 34 CO 0.04 -0.36 2.13 1.28 -0.33 0.00 0.00 177.00 179.76 2xac n LEU 35 N 3.54 7.32 -0.05 -5.54 4.77 -1.15 -4.32 117.00 121.57 2xac n LEU 35 Ca 0.10 -4.27 -0.15 0.00 -0.03 0.00 0.00 56.01 51.66 2xac n LEU 35 Cb 0.43 -1.05 -0.14 0.00 -2.33 0.00 0.00 43.42 40.33 2xac n LEU 35 CO 0.58 1.55 -0.88 1.07 -1.33 0.00 0.00 177.39 178.38 2xac n THR 36 N -0.39 1.61 -0.29 -5.08 5.66 -1.26 -4.57 114.28 109.95 2xac n THR 36 Ca 0.53 -0.72 0.12 0.00 -3.05 0.00 0.00 64.05 60.93 2xac n THR 36 Cb 0.51 -1.24 0.28 0.00 -1.55 0.00 0.00 70.33 68.32 2xac n THR 36 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 2xac h VAL 37 N 0.02 0.39 -0.60 1.08 -1.51 -2.01 -3.44 116.25 110.19 2xac h VAL 37 Ca -0.43 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 2xac h VAL 37 Cb 2.04 0.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2xac h VAL 37 CO 0.04 0.05 0.00 -0.62 -1.23 0.00 0.00 177.57 175.81 2xac n GLU 38 N -5.17 1.26 -2.18 5.19 4.71 -1.26 -4.94 120.64 118.25 2xac n GLU 38 Ca 0.20 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.93 2xac n GLU 38 Cb 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 31.04 2xac n GLU 38 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2xac s LEU 39 N 0.00 4.03 -0.55 -4.62 1.43 -1.26 -4.96 118.68 112.75 2xac s LEU 39 Ca 0.00 1.72 0.07 0.00 -1.03 0.00 0.00 54.13 54.88 2xac s LEU 39 Cb 0.00 -3.53 0.27 0.00 0.03 0.00 0.00 46.19 42.95 2xac s LEU 39 CO 0.00 -1.09 0.71 0.80 0.23 0.00 0.00 176.35 177.00 2xac n MET 40 N 7.34 2.03 0.00 1.70 1.56 -1.26 -4.78 117.12 123.70 2xac n MET 40 Ca 0.17 -4.23 0.00 0.00 -0.27 0.00 0.00 57.70 53.37 2xac n MET 40 Cb 0.45 -1.94 0.00 0.00 2.15 0.00 0.00 33.22 33.88 2xac n MET 40 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2xac n GLY 41 N 0.85 0.00 0.00 -5.12 0.00 -1.26 -4.98 105.19 94.68 2xac n GLY 41 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2xac n GLY 41 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2xac n THR 42 N -1.38 0.00 0.47 2.61 5.66 -1.26 -1.27 114.28 119.11 2xac n THR 42 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 2xac n THR 42 Cb 0.08 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.04 2xac n THR 42 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2xac n VAL 43 N 0.00 0.89 -0.47 1.08 0.24 -1.26 -4.96 118.33 113.84 2xac n VAL 43 Ca 0.00 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 2xac n VAL 43 Cb 0.00 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 2xac n VAL 43 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2xac n ALA 44 N 0.47 -1.74 0.00 2.33 0.00 -0.40 -4.36 120.51 116.81 2xac n ALA 44 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2xac n ALA 44 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.84 2xac n ALA 44 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2xac n LYS 45 N 1.26 0.00 -4.00 0.00 0.00 -1.26 -4.16 118.16 110.00 2xac n LYS 45 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2xac n LYS 45 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 2xac n LYS 45 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2xac s GLN 46 N -2.00 0.35 0.42 -1.58 -0.21 -1.10 -4.95 119.66 110.58 2xac s GLN 46 Ca 0.00 -0.59 -0.22 0.00 0.02 0.00 0.00 55.36 54.57 2xac s GLN 46 Cb 0.00 -0.04 -0.10 0.00 1.00 0.00 0.00 33.01 33.87 2xac s GLN 46 CO 0.00 -0.01 0.98 -0.51 -2.12 0.00 0.00 175.29 173.63 2xac s LEU 47 N -1.32 4.02 -0.07 2.90 1.02 -1.26 -1.54 118.68 122.43 2xac s LEU 47 Ca -0.12 1.81 -0.02 0.00 0.02 0.00 0.00 54.13 55.82 2xac s LEU 47 Cb -0.09 -4.40 0.03 0.00 0.02 0.00 0.00 46.19 41.75 2xac s LEU 47 CO -0.00 -0.41 0.02 -0.69 0.02 0.00 0.00 176.35 175.28 2xac s VAL 48 N -1.97 0.29 0.84 -1.59 1.01 0.42 -3.18 120.40 116.21 2xac s VAL 48 Ca 0.60 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2xac s VAL 48 Cb -0.14 -0.49 0.10 0.00 0.00 0.00 0.00 36.38 35.85 2xac s VAL 48 CO 0.18 0.22 1.09 -2.16 0.00 0.00 0.00 175.10 174.43 2xac s PRO 49 N 2.01 1.71 -0.17 2.72 0.04 -1.26 -1.80 135.00 138.25 2xac s PRO 49 Ca 0.05 0.96 0.06 0.00 0.04 0.00 0.00 61.00 62.11 2xac s PRO 49 Cb -0.12 -1.85 0.43 0.00 0.04 0.00 0.00 34.50 33.00 2xac s PRO 49 CO -0.05 -1.96 1.29 -1.13 0.04 0.00 0.00 177.00 175.18 2xac n SER 50 N -3.71 3.58 -3.54 6.66 3.41 -1.19 -4.87 113.62 113.96 2xac n SER 50 Ca 0.08 -2.63 -0.10 0.00 -0.26 0.00 0.00 58.87 55.96 2xac n SER 50 Cb 0.54 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 2xac n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xac s VAL 52 N -2.13 0.99 -0.17 0.00 -7.23 0.45 -4.93 120.40 107.39 2xac s VAL 52 Ca 0.01 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2xac s VAL 52 Cb -0.01 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2xac s VAL 52 CO -0.03 -0.65 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.20 2xac s THR 53 N -2.84 4.00 -0.04 5.32 2.01 -1.26 0.91 115.64 123.73 2xac s THR 53 Ca 0.10 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 2xac s THR 53 Cb -0.00 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.76 2xac s THR 53 CO -0.00 0.48 0.24 0.54 -0.69 0.00 0.00 174.62 175.18 2xac s VAL 54 N 0.50 0.04 -0.17 3.82 0.11 -0.82 -4.95 120.40 118.94 2xac s VAL 54 Ca -0.02 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.39 2xac s VAL 54 Cb -0.14 -0.46 -0.02 0.00 -1.53 0.00 0.00 36.38 34.23 2xac s VAL 54 CO 0.02 -0.19 1.35 -1.58 -3.33 0.00 0.00 175.10 171.37 2xac s GLN 55 N -0.76 4.17 -0.00 1.54 0.74 -1.26 -1.31 119.66 122.78 2xac s GLN 55 Ca -0.08 1.70 -0.00 0.00 0.05 0.00 0.00 55.36 57.02 2xac s GLN 55 Cb -0.05 -3.83 0.00 0.00 1.10 0.00 0.00 33.01 30.24 2xac s GLN 55 CO 0.02 -0.81 0.01 1.03 -0.55 0.00 0.00 175.29 174.99 2xac s ARG 56 N 3.72 0.01 0.07 1.67 1.81 0.38 0.29 118.95 126.90 2xac s ARG 56 Ca 0.59 0.01 -0.34 0.00 -1.72 0.00 0.00 55.73 54.27 2xac s ARG 56 Cb -0.23 -0.00 -0.13 0.00 -0.45 0.00 0.00 34.95 34.13 2xac s ARG 56 CO 0.19 -0.01 1.68 0.00 -0.68 0.00 0.00 175.30 176.48 2xac n GLY 58 N 3.75 2.82 0.05 0.00 0.00 -0.28 -4.86 105.19 106.67 2xac n GLY 58 Ca 0.19 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2xac n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xac n GLY 59 N -0.37 -4.01 3.27 -0.02 0.00 -1.26 -1.49 105.19 101.32 2xac n GLY 59 Ca 0.02 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 2xac n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xac h PRO 62 N -0.30 0.27 -3.64 0.00 0.11 -1.99 -3.45 132.00 123.00 2xac h PRO 62 Ca -0.45 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2xac h PRO 62 Cb 1.27 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2xac h PRO 62 CO 0.60 0.18 -0.04 0.16 -0.21 0.00 0.00 178.00 178.69 2xac s ASP 63 N -5.15 0.28 0.56 -2.05 1.47 -1.26 -5.03 116.67 105.49 2xac s ASP 63 Ca -0.08 -1.16 0.37 0.00 1.18 0.00 0.00 52.55 52.86 2xac s ASP 63 Cb 0.25 0.68 1.75 0.00 -0.34 0.00 0.00 42.92 45.26 2xac s ASP 63 CO 0.80 -1.33 2.10 -2.24 0.68 0.00 0.00 175.17 175.18 2xac h ASP 64 N 2.13 0.00 -0.22 2.11 3.04 -2.04 -2.93 116.42 118.51 2xac h ASP 64 Ca -0.28 0.00 -0.11 0.00 -3.24 0.00 0.00 57.03 53.41 2xac h ASP 64 Cb 1.25 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.52 2xac h ASP 64 CO 0.37 0.00 -0.22 1.23 -2.04 0.00 0.00 179.24 178.58 2xac h GLY 65 N 1.15 0.74 -5.55 7.15 0.00 -1.97 -3.43 103.07 101.16 2xac h GLY 65 Ca 0.00 -0.61 -0.63 0.00 0.00 0.00 0.00 47.33 46.08 2xac h GLY 65 CO 0.00 0.56 -0.38 1.08 0.00 0.00 0.00 176.54 177.80 2xac s LEU 66 N -8.84 4.38 0.18 3.11 1.43 -1.11 -1.73 118.68 116.09 2xac s LEU 66 Ca -0.08 0.60 0.07 0.00 -1.03 0.00 0.00 54.13 53.68 2xac s LEU 66 Cb 0.13 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2xac s LEU 66 CO 0.82 0.32 0.03 -1.83 0.23 0.00 0.00 176.35 175.92 2xac s GLU 67 N -0.70 2.50 -0.59 1.70 -1.05 0.85 -4.68 118.70 116.74 2xac s GLU 67 Ca 0.17 -1.07 -0.18 0.00 -0.15 0.00 0.00 54.97 53.74 2xac s GLU 67 Cb -0.13 -2.41 0.11 0.00 -0.44 0.00 0.00 34.13 31.25 2xac s GLU 67 CO 0.06 0.46 0.68 0.00 0.95 0.00 0.00 175.26 177.41 2xac s VAL 69 N 2.54 3.48 0.40 0.00 -7.23 -0.52 -4.84 120.40 114.23 2xac s VAL 69 Ca 0.10 -1.85 -0.24 0.00 -1.81 0.00 0.00 61.98 58.18 2xac s VAL 69 Cb -0.25 -2.85 -0.09 0.00 0.56 0.00 0.00 36.38 33.75 2xac s VAL 69 CO 0.06 -0.34 1.05 -2.16 -0.31 0.00 0.00 175.10 173.40 2xac s PRO 70 N -3.59 4.16 0.00 4.82 0.04 -1.26 -0.31 135.00 138.87 2xac s PRO 70 Ca 0.31 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2xac s PRO 70 Cb -0.07 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.94 2xac s PRO 70 CO 0.20 -0.15 0.48 0.25 0.04 0.00 0.00 177.00 177.82 2xac n THR 71 N -0.07 0.00 -3.64 1.26 -2.24 0.58 -4.78 114.28 105.39 2xac n THR 71 Ca 0.05 -0.48 -0.06 0.00 -2.27 0.00 0.00 64.05 61.29 2xac n THR 71 Cb 0.50 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 2xac n THR 71 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2xac s GLY 72 N -0.62 -0.53 0.25 3.38 0.00 -0.95 -4.86 107.32 103.98 2xac s GLY 72 Ca 0.04 2.55 -0.03 0.00 0.00 0.00 0.00 44.72 47.27 2xac s GLY 72 CO 0.08 2.44 0.28 -0.86 0.00 0.00 0.00 173.10 175.04 2xac s GLN 73 N 1.58 1.45 0.25 2.90 -2.07 -1.26 0.21 119.66 122.71 2xac s GLN 73 Ca -0.10 -1.59 -0.18 0.00 -1.82 0.00 0.00 55.36 51.67 2xac s GLN 73 Cb -0.05 0.35 0.02 0.00 -1.09 0.00 0.00 33.01 32.24 2xac s GLN 73 CO -0.19 -0.54 0.60 -3.38 -1.32 0.00 0.00 175.29 170.46 2xac s HIS 74 N -3.89 -0.03 0.06 9.60 -3.43 0.12 -4.89 115.29 112.83 2xac s HIS 74 Ca 0.34 -0.37 -0.21 0.00 -0.80 0.00 0.00 55.06 54.02 2xac s HIS 74 Cb 0.03 0.49 -0.06 0.00 -1.43 0.00 0.00 32.58 31.61 2xac s HIS 74 CO 0.14 -1.08 0.62 -0.65 -2.00 0.00 0.00 174.74 171.77 2xac s GLN 75 N -3.93 4.31 -0.32 -0.38 -1.52 -1.25 0.14 119.66 116.70 2xac s GLN 75 Ca 0.14 0.82 -0.02 0.00 -1.95 0.00 0.00 55.36 54.35 2xac s GLN 75 Cb -0.03 -3.28 0.07 0.00 -0.22 0.00 0.00 33.01 29.54 2xac s GLN 75 CO 0.05 0.52 0.04 0.14 -0.25 0.00 0.00 175.29 175.79 2xac s VAL 76 N -0.76 2.98 -0.25 1.09 -7.23 -0.97 -4.88 120.40 110.38 2xac s VAL 76 Ca 0.31 -1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 58.61 2xac s VAL 76 Cb -0.20 -2.81 0.01 0.00 0.56 0.00 0.00 36.38 33.94 2xac s VAL 76 CO 0.20 -0.25 1.07 -0.13 -0.31 0.00 0.00 175.10 175.67 2xac s ARG 77 N 1.20 4.20 -0.12 4.82 0.52 -1.26 -2.58 118.95 125.73 2xac s ARG 77 Ca -0.02 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.49 2xac s ARG 77 Cb -0.20 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.61 2xac s ARG 77 CO -0.02 -0.72 -0.10 -1.64 0.02 0.00 0.00 175.30 172.83 2xac s MET 78 N 3.36 1.82 0.02 3.54 -1.94 0.58 -4.94 119.30 121.74 2xac s MET 78 Ca 0.45 -0.38 -0.30 0.00 -1.71 0.00 0.00 55.69 53.75 2xac s MET 78 Cb -0.15 -1.76 -0.08 0.00 2.01 0.00 0.00 34.83 34.86 2xac s MET 78 CO 0.09 -0.23 1.74 -0.65 -0.01 0.00 0.00 175.02 175.96 2xac s GLN 79 N 1.54 4.18 -0.06 2.03 -0.21 -1.26 -2.93 119.66 122.95 2xac s GLN 79 Ca 0.03 2.37 0.04 0.00 0.02 0.00 0.00 55.36 57.82 2xac s GLN 79 Cb -0.13 -3.86 0.00 0.00 1.00 0.00 0.00 33.01 30.03 2xac s GLN 79 CO -0.08 -0.83 -0.17 0.42 -2.12 0.00 0.00 175.29 172.51 2xac s ILE 80 N 3.52 1.48 -0.14 1.08 1.01 -0.26 -4.91 121.20 122.98 2xac s ILE 80 Ca 0.77 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 60.52 2xac s ILE 80 Cb -0.39 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2xac s ILE 80 CO 0.34 0.43 0.49 -0.22 0.00 0.00 0.00 174.94 175.97 2xac s LEU 81 N 0.22 4.24 -0.44 2.97 2.96 -0.75 0.67 118.68 128.56 2xac s LEU 81 Ca -0.08 0.78 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 2xac s LEU 81 Cb -0.14 -2.70 0.12 0.00 0.50 0.00 0.00 46.19 43.97 2xac s LEU 81 CO 0.04 -0.05 0.24 -0.04 -1.32 0.00 0.00 176.35 175.22 2xac s MET 82 N 0.88 2.08 0.28 1.98 -1.94 -1.19 0.16 119.30 121.55 2xac s MET 82 Ca 0.26 -1.91 -0.29 0.00 -1.71 0.00 0.00 55.69 52.03 2xac s MET 82 Cb -0.15 -3.61 -0.10 0.00 2.01 0.00 0.00 34.83 32.98 2xac s MET 82 CO 0.10 -1.09 1.28 0.96 -0.01 0.00 0.00 175.02 176.26 2xac s ILE 83 N 0.99 2.97 -0.98 2.53 -4.36 -0.59 -4.03 121.20 117.73 2xac s ILE 83 Ca 0.09 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.40 2xac s ILE 83 Cb -0.23 -3.58 0.00 0.00 1.25 0.00 0.00 42.46 39.90 2xac s ILE 83 CO -0.04 0.19 0.00 -1.14 0.24 0.00 0.00 174.94 174.19 2xac n ARG 84 N 1.43 0.00 -3.63 0.37 3.00 -1.26 -2.73 116.66 113.84 2xac n ARG 84 Ca 0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.49 2xac n ARG 84 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.78 2xac n ARG 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2xac s TYR 85 N -4.00 3.22 0.13 -0.14 6.04 -1.26 -4.21 117.35 117.14 2xac s TYR 85 Ca 0.00 0.08 0.00 0.00 0.04 0.00 0.00 57.07 57.19 2xac s TYR 85 Cb 0.00 -2.34 0.00 0.00 -1.04 0.00 0.00 41.96 38.58 2xac s TYR 85 CO 0.00 -0.13 0.00 -0.35 -1.54 0.00 0.00 175.55 173.53 2xac n PRO 86 N 4.86 0.00 -3.46 4.97 -0.04 -1.26 -4.83 135.00 135.24 2xac n PRO 86 Ca -0.14 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 2xac n PRO 86 Cb 0.52 -0.38 -0.04 0.00 -0.04 0.00 0.00 33.50 33.56 2xac n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2xac s SER 87 N -5.65 6.31 0.65 3.54 0.15 -1.26 -5.07 113.70 112.38 2xac s SER 87 Ca 0.00 -2.87 -0.15 0.00 0.70 0.00 0.00 55.95 53.63 2xac s SER 87 Cb 0.00 -2.09 -0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2xac s SER 87 CO 0.00 -0.47 1.09 -0.94 1.20 0.00 0.00 173.24 174.13 2xac s SER 88 N 1.52 5.23 0.21 5.45 1.04 -1.26 -5.04 113.70 120.85 2xac s SER 88 Ca 0.19 1.93 0.08 0.00 0.48 0.00 0.00 55.95 58.63 2xac s SER 88 Cb -0.13 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2xac s SER 88 CO -0.07 -1.55 0.02 -1.10 0.98 0.00 0.00 173.24 171.51 2xac s GLN 89 N -4.20 2.43 -0.09 4.02 -0.21 -1.26 -4.93 119.66 115.42 2xac s GLN 89 Ca 0.65 -1.19 -0.13 0.00 0.02 0.00 0.00 55.36 54.71 2xac s GLN 89 Cb -0.19 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.45 2xac s GLN 89 CO 0.42 0.42 0.32 -1.17 -2.12 0.00 0.00 175.29 173.17 2xac s LEU 90 N -3.23 4.36 0.00 2.90 0.20 -1.26 -3.17 118.68 118.48 2xac s LEU 90 Ca 0.29 0.70 0.00 0.00 0.69 0.00 0.00 54.13 55.81 2xac s LEU 90 Cb -0.08 -2.42 0.00 0.00 -0.43 0.00 0.00 46.19 43.25 2xac s LEU 90 CO 0.20 0.23 0.00 0.61 -0.29 0.00 0.00 176.35 177.10 2xac n GLY 91 N 2.54 6.80 3.14 7.98 0.00 0.21 -4.96 105.19 120.90 2xac n GLY 91 Ca -0.14 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 2xac n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2xac s GLU 92 N 0.75 0.74 -0.04 1.61 0.41 -1.26 -1.10 118.70 119.81 2xac s GLU 92 Ca 0.00 -1.24 -0.30 0.00 -0.41 0.00 0.00 54.97 53.02 2xac s GLU 92 Cb 0.00 -0.11 0.07 0.00 -1.78 0.00 0.00 34.13 32.30 2xac s GLU 92 CO 0.00 -0.03 0.67 0.00 -0.49 0.00 0.00 175.26 175.40 2xac s MET 93 N -3.59 1.05 0.11 1.61 0.23 -1.15 -4.87 119.30 112.70 2xac s MET 93 Ca 0.08 0.23 0.09 0.00 -1.03 0.00 0.00 55.69 55.06 2xac s MET 93 Cb 0.04 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.80 2xac s MET 93 CO -0.05 -0.33 -0.18 -1.12 -2.03 0.00 0.00 175.02 171.31 2xac s SER 94 N -1.23 3.88 0.06 -1.18 0.01 -1.25 -0.31 113.70 113.68 2xac s SER 94 Ca -0.11 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.62 2xac s SER 94 Cb -0.00 -0.55 -0.01 0.00 0.21 0.00 0.00 66.02 65.67 2xac s SER 94 CO 0.09 0.18 0.05 0.18 0.41 0.00 0.00 173.24 174.16 2xac n LEU 95 N 0.86 0.00 -4.09 2.44 4.77 -1.07 -4.88 117.00 115.03 2xac n LEU 95 Ca -0.16 -0.58 -0.35 0.00 -0.03 0.00 0.00 56.01 54.90 2xac n LEU 95 Cb 0.53 0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 41.79 2xac n LEU 95 CO 0.28 -0.10 -0.22 -1.83 -1.33 0.00 0.00 177.39 174.20 2xac s GLU 96 N -2.25 1.84 0.03 3.23 4.04 -1.26 -2.28 118.70 122.05 2xac s GLU 96 Ca 0.07 -1.85 -0.12 0.00 0.04 0.00 0.00 54.97 53.11 2xac s GLU 96 Cb 0.00 -3.47 -0.06 0.00 0.02 0.00 0.00 34.13 30.63 2xac s GLU 96 CO 0.05 -1.03 0.39 -2.00 -1.84 0.00 0.00 175.26 170.83 2xac s GLU 97 N 1.05 3.82 -0.15 -4.83 2.12 0.12 -4.85 118.70 115.98 2xac s GLU 97 Ca 0.09 0.28 -0.04 0.00 0.36 0.00 0.00 54.97 55.66 2xac s GLU 97 Cb -0.22 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 2xac s GLU 97 CO -0.05 0.63 -0.01 -1.01 -0.54 0.00 0.00 175.26 174.28 2xac s HIS 98 N -1.23 3.09 -0.24 5.30 3.76 0.14 0.13 115.29 126.26 2xac s HIS 98 Ca 0.28 -0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 54.95 2xac s HIS 98 Cb -0.15 -1.97 -0.17 0.00 1.11 0.00 0.00 32.58 31.40 2xac s HIS 98 CO 0.15 0.06 -0.11 -1.13 -0.85 0.00 0.00 174.74 172.87 2xac n SER 99 N 3.39 1.98 -4.19 1.40 3.41 0.13 -4.57 113.62 115.18 2xac n SER 99 Ca -0.17 0.15 -0.16 0.00 -0.26 0.00 0.00 58.87 58.43 2xac n SER 99 Cb 0.52 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.66 2xac n SER 99 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2xac s GLN 100 N -2.50 0.87 0.31 4.33 -1.52 -1.15 -4.77 119.66 115.24 2xac s GLN 100 Ca -0.33 -1.12 0.03 0.00 -1.95 0.00 0.00 55.36 51.99 2xac s GLN 100 Cb 0.10 -0.69 -0.05 0.00 -0.22 0.00 0.00 33.01 32.15 2xac s GLN 100 CO 0.59 0.13 0.11 0.00 -0.25 0.00 0.00 175.29 175.87 2xac s GLU 102 N -3.89 0.98 -0.48 0.00 -1.05 0.58 -4.67 118.70 110.17 2xac s GLU 102 Ca 0.35 -0.18 -0.26 0.00 -0.15 0.00 0.00 54.97 54.73 2xac s GLU 102 Cb 0.06 0.46 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2xac s GLU 102 CO 0.15 -0.39 0.98 0.00 0.95 0.00 0.00 175.26 176.95 2xac s ARG 104 N 3.95 2.32 0.33 0.00 0.52 0.03 -4.90 118.95 121.20 2xac s ARG 104 Ca 0.39 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.40 2xac s ARG 104 Cb -0.10 -2.39 -0.10 0.00 0.52 0.00 0.00 34.95 32.88 2xac s ARG 104 CO 0.27 0.54 1.32 -2.14 0.02 0.00 0.00 175.30 175.31 2xac s PRO 105 N -1.97 4.34 0.25 3.54 0.02 -1.26 -0.11 135.00 139.82 2xac s PRO 105 Ca 0.21 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 2xac s PRO 105 Cb -0.11 -3.07 -0.10 0.00 0.02 0.00 0.00 34.50 31.24 2xac s PRO 105 CO 0.12 -0.21 1.44 0.15 -0.33 0.00 0.00 177.00 178.17 2xac s LYS 106 N -1.72 4.27 0.34 5.54 1.02 -0.71 -4.80 119.74 123.69 2xac s LYS 106 Ca 0.50 2.31 0.15 0.00 0.02 0.00 0.00 55.97 58.95 2xac s LYS 106 Cb -0.40 -3.10 0.60 0.00 -0.52 0.00 0.00 37.83 34.41 2xac s LYS 106 CO 0.53 -0.42 1.72 0.87 -0.92 0.00 0.00 175.35 177.13 2xac h LYS 107 N 4.93 0.00 0.00 1.68 1.57 -1.92 -3.51 116.57 119.32 2xac h LYS 107 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2xac h LYS 107 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2xac h LYS 107 CO 0.77 0.45 0.00 1.17 -0.57 0.00 0.00 179.45 181.27