#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uit s SER 2 N 0.00 -0.00 -0.05 1.61 0.15 -1.26 -5.19 113.70 108.96 1uit s SER 2 Ca 0.00 0.00 -0.31 0.00 0.70 0.00 0.00 55.95 56.34 1uit s SER 2 Cb 0.00 0.00 0.13 0.00 -1.71 0.00 0.00 66.02 64.45 1uit s SER 2 CO 0.00 -0.00 1.35 -0.44 1.20 0.00 0.00 173.24 175.34 1uit s SER 3 N -0.56 -0.04 0.00 5.45 0.01 -1.26 -5.19 113.70 112.11 1uit s SER 3 Ca 0.09 -0.09 -0.28 0.00 1.31 0.00 0.00 55.95 56.98 1uit s SER 3 Cb -0.03 0.10 0.09 0.00 0.21 0.00 0.00 66.02 66.40 1uit s SER 3 CO -0.12 -0.19 0.81 -0.83 0.41 0.00 0.00 173.24 173.32 1uit s GLY 4 N -2.99 -0.48 0.02 3.44 0.00 -1.26 -5.18 107.32 100.86 1uit s GLY 4 Ca 0.14 1.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.68 1uit s GLY 4 CO -0.05 0.49 1.22 -1.35 0.00 0.00 0.00 173.10 173.41 1uit s SER 5 N -2.15 -0.07 0.19 1.64 1.04 -1.26 -5.19 113.70 107.90 1uit s SER 5 Ca 0.01 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.00 1uit s SER 5 Cb -0.01 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.40 1uit s SER 5 CO -0.06 -0.43 0.69 -0.44 0.98 0.00 0.00 173.24 173.98 1uit s SER 6 N -3.04 -0.41 -0.03 7.02 0.01 -1.26 -5.18 113.70 110.81 1uit s SER 6 Ca 0.15 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.05 1uit s SER 6 Cb 0.03 0.63 0.03 0.00 0.21 0.00 0.00 66.02 66.92 1uit s SER 6 CO -0.02 -1.09 0.46 0.61 0.41 0.00 0.00 173.24 173.61 1uit n GLY 7 N -0.41 0.35 3.15 3.44 0.00 -1.26 -5.18 105.19 105.28 1uit n GLY 7 Ca -0.11 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1uit n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uit s GLY 8 N -3.26 0.34 -0.24 -0.02 0.00 -1.26 -5.17 107.32 97.71 1uit s GLY 8 Ca 0.11 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.57 1uit s GLY 8 CO -0.01 -1.08 1.23 1.85 0.00 0.00 0.00 173.10 175.09 1uit s GLU 9 N -3.91 0.25 -0.86 2.90 2.12 -1.26 -5.09 118.70 112.85 1uit s GLU 9 Ca 0.08 0.06 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 1uit s GLU 9 Cb 0.06 0.12 0.21 0.00 0.26 0.00 0.00 34.13 34.79 1uit s GLU 9 CO -0.09 -0.08 0.75 0.54 -0.54 0.00 0.00 175.26 175.84 1uit n ARG 10 N 0.59 2.53 -3.61 4.30 3.00 -1.26 -5.00 116.66 117.21 1uit n ARG 10 Ca -0.04 -4.49 0.00 0.00 -0.01 0.00 0.00 57.85 53.31 1uit n ARG 10 Cb 0.59 -2.39 -0.01 0.00 0.00 0.00 0.00 32.46 30.65 1uit n ARG 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 1uit s ARG 11 N -1.48 0.29 0.00 5.56 3.52 -1.26 -5.08 118.95 120.50 1uit s ARG 11 Ca 0.28 -0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.69 1uit s ARG 11 Cb -0.05 0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1uit s ARG 11 CO -0.13 -0.13 0.70 -0.22 -0.81 0.00 0.00 175.30 174.71 1uit h LYS 12 N 2.00 -0.17 0.00 5.12 3.64 -2.07 -3.46 116.57 121.63 1uit h LYS 12 Ca -0.23 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1uit h LYS 12 Cb 1.18 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1uit h LYS 12 CO 0.26 -0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 177.08 1uit n ASP 13 N -2.68 0.00 -3.17 4.20 8.00 -1.26 -5.11 116.55 116.53 1uit n ASP 13 Ca -0.02 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.31 1uit n ASP 13 Cb 0.07 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 1uit n ASP 13 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1uit s ARG 14 N 0.00 0.90 0.36 -1.24 0.52 -1.26 -4.06 118.95 114.17 1uit s ARG 14 Ca 0.00 -1.43 0.19 0.00 -0.52 0.00 0.00 55.73 53.97 1uit s ARG 14 Cb 0.00 -0.77 0.53 0.00 0.52 0.00 0.00 34.95 35.23 1uit s ARG 14 CO 0.00 -1.32 1.66 -1.00 0.02 0.00 0.00 175.30 174.66 1uit h PRO 15 N 5.79 0.00 0.00 3.54 0.13 -2.00 -3.45 132.00 136.01 1uit h PRO 15 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1uit h PRO 15 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1uit h PRO 15 CO 0.20 0.36 0.00 0.66 -0.23 0.00 0.00 178.00 178.99 1uit n TYR 16 N -3.36 -0.88 -3.86 1.56 4.01 -1.26 -5.15 117.16 108.22 1uit n TYR 16 Ca 0.01 0.02 -0.18 0.00 -0.16 0.00 0.00 57.90 57.59 1uit n TYR 16 Cb 0.57 0.21 -0.01 0.00 -0.31 0.00 0.00 39.34 39.80 1uit n TYR 16 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1uit n VAL 17 N -2.19 0.00 -2.53 -0.72 0.24 -1.26 -5.05 118.33 106.81 1uit n VAL 17 Ca 0.00 -1.45 -0.41 0.00 -2.04 0.00 0.00 64.34 60.43 1uit n VAL 17 Cb 0.00 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.22 1uit n VAL 17 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1uit s GLU 18 N -3.44 3.24 0.62 7.34 2.02 -1.25 -4.68 118.70 122.55 1uit s GLU 18 Ca 0.17 -0.09 -0.15 0.00 0.02 0.00 0.00 54.97 54.93 1uit s GLU 18 Cb -0.01 -4.15 -0.13 0.00 0.10 0.00 0.00 34.13 29.94 1uit s GLU 18 CO 0.11 -2.07 -0.37 -0.85 0.02 0.00 0.00 175.26 172.10 1uit n GLU 19 N 9.16 0.00 -2.46 1.61 0.28 -1.26 -4.17 120.64 123.81 1uit n GLU 19 Ca 0.05 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.63 1uit n GLU 19 Cb 0.49 -0.85 -0.03 0.00 1.43 0.00 0.00 31.44 32.48 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1uit s PRO 20 N -1.24 4.43 0.50 3.44 0.04 -1.26 -4.68 135.00 136.23 1uit s PRO 20 Ca 0.42 1.72 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1uit s PRO 20 Cb -0.30 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 30.87 1uit s PRO 20 CO 0.63 -0.26 0.47 -0.98 0.04 0.00 0.00 177.00 176.89 1uit s ARG 21 N 1.22 2.38 -0.46 4.56 1.70 -0.20 -4.98 118.95 123.17 1uit s ARG 21 Ca 0.58 -1.75 0.03 0.00 -0.47 0.00 0.00 55.73 54.12 1uit s ARG 21 Cb -0.28 -2.32 0.13 0.00 -0.57 0.00 0.00 34.95 31.91 1uit s ARG 21 CO 0.28 -0.49 0.22 -1.01 -1.08 0.00 0.00 175.30 173.22 1uit s HIS 22 N -2.63 2.83 -0.34 5.89 3.76 -1.26 -2.70 115.29 120.85 1uit s HIS 22 Ca 0.45 -2.86 -0.29 0.00 -0.15 0.00 0.00 55.06 52.21 1uit s HIS 22 Cb -0.03 -2.51 0.01 0.00 1.11 0.00 0.00 32.58 31.16 1uit s HIS 22 CO 0.27 -0.79 1.22 0.08 -0.85 0.00 0.00 174.74 174.67 1uit s VAL 23 N 0.15 4.24 0.27 -0.90 1.01 0.49 -4.80 120.40 120.86 1uit s VAL 23 Ca 0.16 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.40 1uit s VAL 23 Cb -0.24 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.75 1uit s VAL 23 CO -0.02 -0.59 0.64 -0.75 0.00 0.00 0.00 175.10 174.37 1uit s LYS 24 N 4.13 3.90 0.07 2.72 2.20 -1.26 0.18 119.74 131.68 1uit s LYS 24 Ca 0.52 0.46 0.03 0.00 -0.36 0.00 0.00 55.97 56.62 1uit s LYS 24 Cb -0.13 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 1uit s LYS 24 CO 0.23 0.25 -0.10 0.08 -0.36 0.00 0.00 175.35 175.45 1uit s VAL 25 N -1.89 0.79 -0.39 4.02 1.01 0.20 -4.60 120.40 119.55 1uit s VAL 25 Ca 0.50 -1.36 0.12 0.00 0.00 0.00 0.00 61.98 61.24 1uit s VAL 25 Cb -0.11 -1.01 0.43 0.00 0.00 0.00 0.00 36.38 35.69 1uit s VAL 25 CO 0.19 -0.44 0.99 0.00 0.00 0.00 0.00 175.10 175.85 1uit n GLN 26 N 1.04 2.14 0.00 2.72 10.64 -1.26 -2.10 117.38 130.56 1uit n GLN 26 Ca -0.20 -3.85 0.00 0.00 -1.83 0.00 0.00 57.00 51.12 1uit n GLN 26 Cb 0.56 -1.73 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 1uit n GLN 26 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1uit n LYS 27 N -0.20 0.00 0.00 2.61 5.02 0.20 -4.84 118.16 120.94 1uit n LYS 27 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1uit n LYS 27 Cb 0.72 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uit n GLY 28 N 0.00 1.02 1.19 0.72 0.00 0.06 -4.10 105.19 104.08 1uit n GLY 28 Ca 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 1uit n GLY 28 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uit n SER 29 N 0.94 2.69 -3.84 1.61 2.88 -1.26 -4.65 113.62 112.00 1uit n SER 29 Ca 0.00 -3.69 -0.11 0.00 -1.33 0.00 0.00 58.87 53.75 1uit n SER 29 Cb 0.00 -0.64 -0.08 0.00 -0.75 0.00 0.00 64.21 62.74 1uit n SER 29 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uit s GLU 30 N -3.21 0.71 1.05 -1.46 0.41 -1.26 -5.17 118.70 109.77 1uit s GLU 30 Ca 0.45 -0.62 -0.17 0.00 -0.41 0.00 0.00 54.97 54.22 1uit s GLU 30 Cb 0.40 0.29 0.22 0.00 -1.78 0.00 0.00 34.13 33.27 1uit s GLU 30 CO 0.01 -0.21 1.20 -1.25 -0.49 0.00 0.00 175.26 174.53 1uit s PRO 31 N -2.57 -0.04 -0.13 0.39 0.04 -1.26 -4.70 135.00 126.73 1uit s PRO 31 Ca -0.05 -0.15 -0.29 0.00 0.04 0.00 0.00 61.00 60.55 1uit s PRO 31 Cb -0.01 -1.74 -0.25 0.00 0.04 0.00 0.00 34.50 32.53 1uit s PRO 31 CO -0.04 -2.91 0.82 1.25 0.04 0.00 0.00 177.00 176.16 1uit h LEU 32 N -2.00 -0.00 -2.93 -3.56 5.85 -1.93 -3.36 115.31 107.38 1uit h LEU 32 Ca -0.46 -0.95 -0.01 0.00 0.84 0.00 0.00 57.88 57.31 1uit h LEU 32 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1uit h LEU 32 CO 0.41 0.95 -0.02 0.61 -0.34 0.00 0.00 178.44 180.05 1uit n GLY 33 N 1.48 -0.22 3.24 3.75 0.00 -1.26 -1.34 105.19 110.83 1uit n GLY 33 Ca -0.10 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1uit n GLY 33 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uit s ILE 34 N -3.01 0.11 0.00 -0.61 -4.36 -1.26 -1.41 121.20 110.66 1uit s ILE 34 Ca 0.01 -0.93 0.06 0.00 -0.26 0.00 0.00 60.65 59.53 1uit s ILE 34 Cb -0.00 -1.23 -0.03 0.00 1.25 0.00 0.00 42.46 42.45 1uit s ILE 34 CO 0.09 -0.51 -0.18 -0.55 0.24 0.00 0.00 174.94 174.03 1uit s SER 35 N -2.73 3.80 0.06 4.36 0.15 0.30 -4.95 113.70 114.69 1uit s SER 35 Ca 0.03 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.36 1uit s SER 35 Cb 0.03 -0.67 -0.03 0.00 -1.71 0.00 0.00 66.02 63.65 1uit s SER 35 CO -0.10 0.29 -0.09 0.27 1.20 0.00 0.00 173.24 174.81 1uit s ILE 36 N -0.82 0.68 0.03 6.45 -5.25 -1.26 0.85 121.20 121.88 1uit s ILE 36 Ca 0.13 -1.22 0.01 0.00 -0.99 0.00 0.00 60.65 58.58 1uit s ILE 36 Cb -0.10 -0.82 -0.02 0.00 2.95 0.00 0.00 42.46 44.46 1uit s ILE 36 CO 0.03 -0.40 -0.05 0.68 -1.79 0.00 0.00 174.94 173.40 1uit s VAL 37 N -1.60 0.33 0.01 8.37 -7.23 0.62 -4.76 120.40 116.14 1uit s VAL 37 Ca -0.06 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 1uit s VAL 37 Cb -0.08 -0.43 -0.04 0.00 0.56 0.00 0.00 36.38 36.39 1uit s VAL 37 CO 0.00 -0.41 0.22 -0.55 -0.31 0.00 0.00 175.10 174.06 1uit s SER 38 N -1.44 6.41 0.56 4.85 0.15 -1.26 -1.36 113.70 121.61 1uit s SER 38 Ca -0.12 0.42 0.08 0.00 0.70 0.00 0.00 55.95 57.03 1uit s SER 38 Cb -0.09 -2.03 0.10 0.00 -1.71 0.00 0.00 66.02 62.28 1uit s SER 38 CO -0.00 0.24 0.77 0.61 1.20 0.00 0.00 173.24 176.06 1uit n GLY 39 N 0.90 1.79 3.41 9.45 0.00 -1.13 -4.95 105.19 114.67 1uit n GLY 39 Ca -0.10 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 1uit n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uit n GLU 40 N -2.24 1.09 -3.28 1.61 4.07 -1.26 -3.34 120.64 117.29 1uit n GLU 40 Ca 0.15 -1.92 -0.17 0.00 -0.06 0.00 0.00 57.16 55.17 1uit n GLU 40 Cb 0.55 -3.30 0.06 0.00 -0.06 0.00 0.00 31.44 28.70 1uit n GLU 40 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1uit n LYS 41 N 7.79 -5.72 0.00 5.31 5.02 -1.26 -4.99 118.16 124.30 1uit n LYS 41 Ca 0.46 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1uit n LYS 41 Cb 0.44 -4.94 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uit n GLY 42 N -1.57 1.33 0.00 0.72 0.00 -1.21 -5.09 105.19 99.37 1uit n GLY 42 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1uit n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uit n GLY 43 N 5.00 6.16 3.47 -0.02 0.00 -1.26 -4.38 105.19 114.17 1uit n GLY 43 Ca 0.00 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1uit n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uit s ILE 44 N 1.33 3.11 0.02 -0.61 -1.09 -1.26 -2.82 121.20 119.88 1uit s ILE 44 Ca 0.00 -0.70 0.04 0.00 -2.23 0.00 0.00 60.65 57.76 1uit s ILE 44 Cb 0.00 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.64 1uit s ILE 44 CO 0.00 0.59 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.86 1uit s TYR 45 N -0.64 1.09 0.07 3.97 1.51 -0.46 -3.17 117.35 119.72 1uit s TYR 45 Ca 0.10 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.56 1uit s TYR 45 Cb -0.11 -0.67 -0.07 0.00 -0.11 0.00 0.00 41.96 40.99 1uit s TYR 45 CO 0.01 0.01 1.48 0.08 -1.11 0.00 0.00 175.55 176.01 1uit s VAL 46 N -0.63 3.29 -0.13 0.71 1.01 -1.26 -0.28 120.40 123.11 1uit s VAL 46 Ca 0.02 0.82 0.18 0.00 0.00 0.00 0.00 61.98 63.00 1uit s VAL 46 Cb -0.06 -3.53 -0.24 0.00 0.00 0.00 0.00 36.38 32.55 1uit s VAL 46 CO 0.00 0.03 0.40 -0.24 0.00 0.00 0.00 175.10 175.30 1uit n SER 47 N 4.80 0.27 -3.58 3.32 2.88 0.25 -3.46 113.62 118.11 1uit n SER 47 Ca 0.13 0.12 0.02 0.00 -1.33 0.00 0.00 58.87 57.82 1uit n SER 47 Cb 0.42 0.97 -0.00 0.00 -0.75 0.00 0.00 64.21 64.85 1uit n SER 47 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1uit s LYS 48 N -2.87 0.12 -0.15 -1.46 2.20 -1.20 -4.92 119.74 111.46 1uit s LYS 48 Ca -0.07 -0.07 -0.07 0.00 -0.36 0.00 0.00 55.97 55.41 1uit s LYS 48 Cb 0.09 0.04 0.06 0.00 -1.51 0.00 0.00 37.83 36.52 1uit s LYS 48 CO 0.84 -0.06 0.33 0.54 -0.36 0.00 0.00 175.35 176.65 1uit s VAL 49 N -2.13 -0.26 0.85 4.02 0.11 -1.26 0.11 120.40 121.83 1uit s VAL 49 Ca 0.14 0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.23 1uit s VAL 49 Cb 0.06 -0.52 0.07 0.00 -1.53 0.00 0.00 36.38 34.45 1uit s VAL 49 CO -0.06 0.07 0.93 0.41 -3.33 0.00 0.00 175.10 173.13 1uit n THR 50 N 4.77 1.17 -3.67 5.04 -1.04 -0.50 -4.95 114.28 115.11 1uit n THR 50 Ca -0.16 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.30 1uit n THR 50 Cb 0.52 -0.97 -0.09 0.00 -1.82 0.00 0.00 70.33 67.97 1uit n THR 50 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1uit s VAL 51 N -2.25 5.37 0.00 12.58 1.01 -1.26 -4.03 120.40 131.82 1uit s VAL 51 Ca 0.68 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1uit s VAL 51 Cb -0.27 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1uit s VAL 51 CO 0.57 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.66 1uit n GLY 52 N 3.87 2.16 3.79 4.51 0.00 -1.26 -5.02 105.19 113.24 1uit n GLY 52 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1uit n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uit s SER 53 N -2.75 4.88 0.20 1.61 1.04 -1.26 -4.70 113.70 112.72 1uit s SER 53 Ca 0.00 1.70 -0.16 0.00 0.48 0.00 0.00 55.95 57.97 1uit s SER 53 Cb 0.00 -2.48 0.19 0.00 0.10 0.00 0.00 66.02 63.83 1uit s SER 53 CO 0.00 -1.78 1.37 -0.38 0.98 0.00 0.00 173.24 173.43 1uit n ILE 54 N -3.35 -0.48 -0.03 -1.02 2.08 -1.22 -0.06 119.36 115.29 1uit n ILE 54 Ca 0.08 2.08 -0.08 0.00 0.56 0.00 0.00 62.75 65.39 1uit n ILE 54 Cb 0.53 -2.73 -0.05 0.00 -0.75 0.00 0.00 39.64 36.64 1uit n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uit h ALA 55 N 1.16 -0.64 -0.96 -1.39 0.00 -1.48 0.35 119.26 116.30 1uit h ALA 55 Ca 0.29 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.46 1uit h ALA 55 Cb 0.52 0.85 -0.18 0.00 0.00 0.00 0.00 17.79 18.97 1uit h ALA 55 CO -0.87 -0.76 0.07 1.58 0.00 0.00 0.00 179.25 179.27 1uit n HIS 56 N -4.10 0.66 -0.09 0.00 -0.00 0.91 0.19 115.22 112.79 1uit n HIS 56 Ca -0.03 1.15 -0.10 0.00 -0.00 0.00 0.00 57.72 58.75 1uit n HIS 56 Cb 0.19 -1.25 -0.02 0.00 -0.00 0.00 0.00 29.99 28.91 1uit n HIS 56 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1uit h GLN 57 N 0.00 0.43 -0.91 1.57 4.20 0.71 -2.57 115.11 118.54 1uit h GLN 57 Ca 0.60 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 59.24 1uit h GLN 57 Cb 1.29 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.95 1uit h GLN 57 CO -0.89 0.41 0.56 0.00 -0.67 0.00 0.00 178.83 178.25 1uit h ALA 58 N 0.99 1.16 0.00 3.87 0.00 0.58 -3.47 119.26 122.39 1uit h ALA 58 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uit h ALA 58 Cb 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1uit h ALA 58 CO -0.01 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1uit n GLY 59 N -1.26 0.70 3.80 0.00 0.00 0.23 -4.77 105.19 103.89 1uit n GLY 59 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 1uit n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uit s LEU 60 N 0.00 4.38 0.28 0.99 1.43 -1.17 -5.02 118.68 119.58 1uit s LEU 60 Ca 0.00 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.92 1uit s LEU 60 Cb 0.00 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1uit s LEU 60 CO 0.00 0.23 0.08 -1.83 0.23 0.00 0.00 176.35 175.06 1uit s GLU 61 N -0.46 1.48 0.42 1.70 -1.05 -1.26 -4.71 118.70 114.82 1uit s GLU 61 Ca 0.22 -1.80 -0.18 0.00 -0.15 0.00 0.00 54.97 53.05 1uit s GLU 61 Cb -0.15 -0.44 -0.10 0.00 -0.44 0.00 0.00 34.13 33.00 1uit s GLU 61 CO 0.10 -0.26 0.90 -0.47 0.95 0.00 0.00 175.26 176.48 1uit s TYR 62 N -3.62 3.36 0.00 4.83 6.14 -1.26 -3.61 117.35 123.19 1uit s TYR 62 Ca 0.37 1.48 0.00 0.00 0.64 0.00 0.00 57.07 59.56 1uit s TYR 62 Cb 0.08 -2.76 0.00 0.00 0.42 0.00 0.00 41.96 39.71 1uit s TYR 62 CO 0.14 -0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.62 1uit n GLY 63 N -0.79 2.76 3.56 8.97 0.00 -1.22 -4.96 105.19 113.50 1uit n GLY 63 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1uit n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uit s ASP 64 N -1.70 5.72 0.13 1.61 1.11 -1.24 -3.98 116.67 118.32 1uit s ASP 64 Ca 0.00 -0.90 -0.32 0.00 0.18 0.00 0.00 52.55 51.51 1uit s ASP 64 Cb 0.00 -2.56 -0.12 0.00 1.07 0.00 0.00 42.92 41.31 1uit s ASP 64 CO 0.00 -2.21 1.77 1.67 1.18 0.00 0.00 175.17 177.58 1uit n GLN 65 N 8.91 2.59 -2.91 8.23 7.27 -1.26 -4.30 117.38 135.91 1uit n GLN 65 Ca 0.34 0.94 -0.43 0.00 0.07 0.00 0.00 57.00 57.92 1uit n GLN 65 Cb 0.49 -2.79 -0.05 0.00 2.41 0.00 0.00 30.24 30.30 1uit n GLN 65 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1uit s LEU 66 N 2.19 4.30 -0.06 1.69 1.43 -1.19 -1.76 118.68 125.28 1uit s LEU 66 Ca 0.81 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 53.24 1uit s LEU 66 Cb -0.55 -2.75 -0.15 0.00 0.03 0.00 0.00 46.19 42.77 1uit s LEU 66 CO 0.38 -1.14 0.78 -0.07 0.23 0.00 0.00 176.35 176.53 1uit h LEU 67 N 10.66 -0.15 -7.86 1.79 3.38 -1.49 -3.40 115.31 118.23 1uit h LEU 67 Ca -0.26 -0.39 -0.26 0.00 0.09 0.00 0.00 57.88 57.06 1uit h LEU 67 Cb 1.08 0.04 -0.27 0.00 0.09 0.00 0.00 40.66 41.60 1uit h LEU 67 CO 1.06 0.44 -0.73 -1.61 0.09 0.00 0.00 178.44 177.69 1uit s GLU 68 N -3.13 0.24 -0.40 1.13 8.01 -1.16 -3.20 118.70 120.18 1uit s GLU 68 Ca -0.12 -0.21 -0.07 0.00 0.01 0.00 0.00 54.97 54.58 1uit s GLU 68 Cb 0.00 -0.16 0.08 0.00 -4.31 0.00 0.00 34.13 29.74 1uit s GLU 68 CO 0.45 0.04 0.22 0.12 0.01 0.00 0.00 175.26 176.10 1uit s PHE 69 N -0.34 3.37 -0.05 1.61 2.19 -1.11 -0.25 117.98 123.40 1uit s PHE 69 Ca -0.02 -1.72 0.00 0.00 0.33 0.00 0.00 56.93 55.52 1uit s PHE 69 Cb -0.03 -2.92 0.00 0.00 -1.31 0.00 0.00 43.02 38.77 1uit s PHE 69 CO -0.00 -0.87 0.00 0.27 1.83 0.00 0.00 175.22 176.45 1uit n ASN 70 N 4.83 -1.04 -0.22 6.13 0.23 0.24 -1.52 115.26 123.91 1uit n ASN 70 Ca -0.09 0.45 0.00 0.00 -0.53 0.00 0.00 54.58 54.41 1uit n ASN 70 Cb 0.43 -1.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.07 1uit n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1uit n GLY 71 N -0.47 0.85 3.18 4.83 0.00 -1.26 -4.90 105.19 107.41 1uit n GLY 71 Ca -0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1uit n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uit s ILE 72 N -2.15 0.06 -0.28 -0.61 1.09 -0.57 -5.13 121.20 113.62 1uit s ILE 72 Ca 0.00 -0.49 -0.27 0.00 -1.10 0.00 0.00 60.65 58.80 1uit s ILE 72 Cb 0.00 -0.52 0.01 0.00 -1.06 0.00 0.00 42.46 40.89 1uit s ILE 72 CO 0.00 -0.27 0.94 0.21 -0.10 0.00 0.00 174.94 175.72 1uit s ASN 73 N -1.14 6.88 -0.04 3.58 3.84 -1.26 -2.77 114.94 124.04 1uit s ASN 73 Ca -0.12 1.04 0.00 0.00 0.21 0.00 0.00 52.86 53.99 1uit s ASN 73 Cb -0.06 -2.48 -0.02 0.00 -0.55 0.00 0.00 41.25 38.14 1uit s ASN 73 CO 0.03 -0.68 -0.03 0.18 -2.79 0.00 0.00 177.10 173.81 1uit n LEU 74 N 6.36 2.73 -0.36 3.21 4.77 -1.19 -4.33 117.00 128.19 1uit n LEU 74 Ca 0.08 -0.02 0.37 0.00 -0.03 0.00 0.00 56.01 56.42 1uit n LEU 74 Cb 0.47 -0.11 0.66 0.00 -2.33 0.00 0.00 43.42 42.11 1uit n LEU 74 CO 0.52 0.52 1.34 0.03 -1.33 0.00 0.00 177.39 178.47 1uit h ARG 75 N 0.00 0.00 -1.69 3.23 3.08 -1.77 0.13 114.38 117.36 1uit h ARG 75 Ca -0.08 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.51 1uit h ARG 75 Cb 1.13 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.78 1uit h ARG 75 CO -0.01 0.00 -1.13 0.45 -1.07 0.00 0.00 179.97 178.20 1uit n SER 76 N -3.69 1.48 -4.59 7.04 2.88 -1.26 -4.07 113.62 111.41 1uit n SER 76 Ca 0.29 -3.00 -0.28 0.00 -1.33 0.00 0.00 58.87 54.55 1uit n SER 76 Cb 1.54 -0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 64.32 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uit s ALA 77 N -2.77 3.18 -0.01 -1.46 0.00 0.46 -5.05 121.76 116.12 1uit s ALA 77 Ca 0.37 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1uit s ALA 77 Cb 0.38 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.73 1uit s ALA 77 CO -0.05 -0.15 -0.05 0.95 0.00 0.00 0.00 175.76 176.46 1uit s THR 78 N -2.88 3.81 0.43 0.00 -4.23 -1.26 -4.83 115.64 106.68 1uit s THR 78 Ca 0.29 -0.69 0.29 0.00 -1.18 0.00 0.00 61.69 60.41 1uit s THR 78 Cb 0.08 -2.66 0.47 0.00 1.34 0.00 0.00 72.50 71.73 1uit s THR 78 CO 0.15 0.41 1.61 1.05 -0.54 0.00 0.00 174.62 177.29 1uit h GLU 79 N 4.54 0.06 -0.30 3.99 4.11 -1.93 1.49 114.58 126.55 1uit h GLU 79 Ca -0.49 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.90 1uit h GLU 79 Cb 1.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1uit h GLU 79 CO 0.55 0.04 0.04 -0.56 0.07 0.00 0.00 179.01 179.15 1uit h GLN 80 N 0.07 0.50 0.39 1.06 3.07 -1.97 -1.17 115.11 117.05 1uit h GLN 80 Ca 0.84 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 59.42 1uit h GLN 80 Cb 2.59 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 30.10 1uit h GLN 80 CO -0.47 0.61 -0.20 1.96 0.09 0.00 0.00 178.83 180.82 1uit h GLN 81 N 0.32 -0.53 0.05 0.06 4.20 0.16 -2.01 115.11 117.37 1uit h GLN 81 Ca 0.09 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.86 1uit h GLN 81 Cb 0.36 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 1uit h GLN 81 CO 0.01 -0.35 -0.48 0.00 -0.67 0.00 0.00 178.83 177.33 1uit h ALA 82 N 0.05 -0.84 -0.38 3.87 0.00 -1.14 1.69 119.26 122.51 1uit h ALA 82 Ca -0.05 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1uit h ALA 82 Cb 0.43 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1uit h ALA 82 CO 0.08 -1.05 0.67 0.00 0.00 0.00 0.00 179.25 178.95 1uit h ARG 83 N -0.67 0.00 0.00 0.00 3.08 -1.10 1.40 114.38 117.09 1uit h ARG 83 Ca 0.02 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1uit h ARG 83 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1uit h ARG 83 CO -0.31 0.00 -1.07 1.28 -1.07 0.00 0.00 179.97 178.80 1uit n LEU 84 N -3.21 1.85 0.08 3.04 4.77 0.16 -1.27 117.00 122.42 1uit n LEU 84 Ca 0.07 0.49 0.17 0.00 -0.03 0.00 0.00 56.01 56.71 1uit n LEU 84 Cb 0.82 -0.91 0.68 0.00 -2.33 0.00 0.00 43.42 41.68 1uit n LEU 84 CO 0.19 -0.01 1.15 0.40 -1.33 0.00 0.00 177.39 177.79 1uit h ILE 85 N -1.00 0.79 0.06 -0.08 2.04 0.43 0.83 117.51 120.58 1uit h ILE 85 Ca -0.23 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.31 1uit h ILE 85 Cb 1.02 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1uit h ILE 85 CO -0.14 0.00 -1.81 0.16 0.00 0.00 0.00 178.15 176.36 1uit h ILE 86 N 0.00 0.78 -0.02 -0.67 3.07 0.16 -3.31 117.51 117.53 1uit h ILE 86 Ca 0.17 -2.57 0.00 0.00 1.55 0.00 0.00 64.86 64.02 1uit h ILE 86 Cb 0.71 2.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.74 1uit h ILE 86 CO -0.00 0.68 0.00 0.61 -1.05 0.00 0.00 178.15 178.39 1uit n GLY 87 N 1.74 -0.84 1.11 0.16 0.00 -0.02 -4.65 105.19 102.68 1uit n GLY 87 Ca -0.23 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1uit n GLY 87 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uit n GLN 88 N -0.71 -2.46 0.00 1.61 6.02 0.27 -4.96 117.38 117.15 1uit n GLN 88 Ca 0.17 -0.53 0.00 0.00 -0.01 0.00 0.00 57.00 56.63 1uit n GLN 88 Cb 0.11 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1uit n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uit n GLN 89 N -3.01 0.00 -2.79 -1.09 0.00 -1.26 -4.95 117.38 104.28 1uit n GLN 89 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 57.00 57.01 1uit n GLN 89 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.41 1uit n GLN 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1uit h ASP 91 N 4.36 0.06 -3.73 0.00 5.19 -1.95 -3.33 116.42 117.02 1uit h ASP 91 Ca -0.33 0.18 -0.64 0.00 -0.62 0.00 0.00 57.03 55.62 1uit h ASP 91 Cb 0.79 0.23 -0.38 0.00 0.18 0.00 0.00 39.33 40.15 1uit h ASP 91 CO 0.01 -0.10 -0.79 -0.89 -3.12 0.00 0.00 179.24 174.35 1uit s THR 92 N -5.95 1.81 0.07 0.35 2.01 -1.26 0.61 115.64 113.27 1uit s THR 92 Ca -0.12 -1.43 0.10 0.00 0.31 0.00 0.00 61.69 60.54 1uit s THR 92 Cb 0.25 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 1uit s THR 92 CO 0.77 -0.09 -0.26 -0.51 -0.69 0.00 0.00 174.62 173.83 1uit s ILE 93 N 1.26 2.15 0.24 1.82 -1.16 -0.89 -4.93 121.20 119.69 1uit s ILE 93 Ca -0.06 -1.49 0.09 0.00 -0.51 0.00 0.00 60.65 58.67 1uit s ILE 93 Cb -0.19 -1.86 -0.04 0.00 0.61 0.00 0.00 42.46 40.98 1uit s ILE 93 CO -0.06 0.28 0.02 -0.89 -2.81 0.00 0.00 174.94 171.48 1uit s THR 94 N -0.88 3.63 0.00 4.00 2.01 -1.26 0.60 115.64 123.75 1uit s THR 94 Ca 0.12 -1.73 0.02 0.00 0.31 0.00 0.00 61.69 60.42 1uit s THR 94 Cb -0.10 -2.92 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 1uit s THR 94 CO 0.03 -0.30 -0.08 -0.63 -0.69 0.00 0.00 174.62 172.95 1uit s ILE 95 N -2.14 0.62 -0.76 1.82 1.01 0.48 0.82 121.20 123.05 1uit s ILE 95 Ca 0.30 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 1uit s ILE 95 Cb -0.07 -0.55 0.19 0.00 0.01 0.00 0.00 42.46 42.04 1uit s ILE 95 CO 0.20 0.09 0.60 -0.22 0.00 0.00 0.00 174.94 175.61 1uit s LEU 96 N -0.40 5.26 0.67 2.97 2.96 0.65 0.19 118.68 130.97 1uit s LEU 96 Ca 0.01 -3.46 -0.01 0.00 -0.22 0.00 0.00 54.13 50.45 1uit s LEU 96 Cb -0.04 -1.83 0.09 0.00 0.50 0.00 0.00 46.19 44.92 1uit s LEU 96 CO -0.00 -0.22 0.94 0.00 -1.32 0.00 0.00 176.35 175.75 1uit s ALA 97 N -0.94 3.67 -0.43 5.97 0.00 -1.10 -1.22 121.76 127.71 1uit s ALA 97 Ca 0.23 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1uit s ALA 97 Cb -0.12 -2.11 0.19 0.00 0.00 0.00 0.00 23.12 21.09 1uit s ALA 97 CO -0.10 -1.26 0.82 -1.14 0.00 0.00 0.00 175.76 174.09 1uit s GLN 98 N -5.06 0.73 0.03 0.00 0.74 -0.72 -1.04 119.66 114.34 1uit s GLN 98 Ca 0.63 -0.57 -0.31 0.00 0.05 0.00 0.00 55.36 55.16 1uit s GLN 98 Cb -0.07 0.00 -0.16 0.00 1.10 0.00 0.00 33.01 33.88 1uit s GLN 98 CO 0.43 -0.94 0.80 0.98 -0.55 0.00 0.00 175.29 176.00 1uit n TYR 99 N 3.31 0.36 -3.96 1.67 4.19 -1.26 -4.23 117.16 117.24 1uit n TYR 99 Ca 0.13 0.85 -0.30 0.00 3.31 0.00 0.00 57.90 61.90 1uit n TYR 99 Cb 0.59 -1.69 -0.16 0.00 0.49 0.00 0.00 39.34 38.57 1uit n TYR 99 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1uit s ASN 100 N -0.14 3.52 -0.56 2.98 2.47 -1.26 -3.83 114.94 118.12 1uit s ASN 100 Ca 0.70 -0.98 -0.06 0.00 0.42 0.00 0.00 52.86 52.95 1uit s ASN 100 Cb -0.99 -1.18 -0.14 0.00 -1.45 0.00 0.00 41.25 37.49 1uit s ASN 100 CO 0.46 -0.19 2.68 -0.81 -3.72 0.00 0.00 177.10 175.53 1uit n PRO 101 N 4.70 2.08 -2.48 0.43 -0.04 -1.26 -3.36 135.00 135.07 1uit n PRO 101 Ca -0.13 -1.22 -0.03 0.00 -0.04 0.00 0.00 63.50 62.08 1uit n PRO 101 Cb 0.46 -2.20 0.09 0.00 -0.04 0.00 0.00 33.50 31.80 1uit n PRO 101 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1uit n HIS 102 N 3.22 -1.64 -2.96 0.54 8.25 -1.26 -5.03 115.22 116.34 1uit n HIS 102 Ca 0.45 -1.37 -0.14 0.00 -0.26 0.00 0.00 57.72 56.40 1uit n HIS 102 Cb 0.45 1.37 -0.01 0.00 1.12 0.00 0.00 29.99 32.92 1uit n HIS 102 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1uit n VAL 103 N -0.93 -0.36 -3.83 1.59 3.14 -1.21 -5.07 118.33 111.65 1uit n VAL 103 Ca -0.12 -2.31 -0.30 0.00 -2.96 0.00 0.00 64.34 58.64 1uit n VAL 103 Cb 0.78 0.04 -0.14 0.00 -1.06 0.00 0.00 33.84 33.46 1uit n VAL 103 CO 0.00 0.00 0.00 -1.38 -6.46 0.00 0.00 176.83 168.99 1uit s HIS 104 N 0.16 2.57 -0.33 1.45 -3.43 -1.26 -4.88 115.29 109.58 1uit s HIS 104 Ca 0.32 -2.62 -0.19 0.00 -0.80 0.00 0.00 55.06 51.78 1uit s HIS 104 Cb 0.14 -2.30 -0.01 0.00 -1.43 0.00 0.00 32.58 28.98 1uit s HIS 104 CO -0.16 -0.82 0.55 -0.65 -2.00 0.00 0.00 174.74 171.66 1uit s GLN 105 N 0.47 3.77 0.53 -0.38 1.11 -1.26 -4.91 119.66 118.99 1uit s GLN 105 Ca 0.15 0.04 0.00 0.00 0.01 0.00 0.00 55.36 55.56 1uit s GLN 105 Cb -0.23 -3.76 0.00 0.00 -1.01 0.00 0.00 33.01 28.01 1uit s GLN 105 CO -0.05 -0.59 0.00 1.28 0.01 0.00 0.00 175.29 175.94 1uit n LEU 106 N 5.77 -0.93 -4.30 2.90 4.77 -1.26 -4.88 117.00 119.07 1uit n LEU 106 Ca -0.04 2.13 -0.32 0.00 -0.03 0.00 0.00 56.01 57.76 1uit n LEU 106 Cb 0.49 -4.16 -0.16 0.00 -2.33 0.00 0.00 43.42 37.26 1uit n LEU 106 CO 0.45 -2.71 -0.54 -0.94 -1.33 0.00 0.00 177.39 172.32 1uit s SER 107 N -7.20 3.30 -0.16 -1.43 1.04 -1.26 -5.12 113.70 102.87 1uit s SER 107 Ca 0.00 -0.46 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 1uit s SER 107 Cb 0.00 -0.99 -0.05 0.00 0.10 0.00 0.00 66.02 65.08 1uit s SER 107 CO 0.00 0.24 0.18 -0.94 0.98 0.00 0.00 173.24 173.70 1uit s SER 108 N -0.12 6.34 -0.34 7.02 1.04 -1.26 -5.00 113.70 121.38 1uit s SER 108 Ca -0.04 0.39 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 1uit s SER 108 Cb -0.14 -2.11 0.21 0.00 0.10 0.00 0.00 66.02 64.08 1uit s SER 108 CO 0.04 0.24 1.09 -2.28 0.98 0.00 0.00 173.24 173.31 1uit s HIS 109 N -0.11 -0.33 0.83 5.02 2.46 -1.26 -5.16 115.29 116.75 1uit s HIS 109 Ca 0.13 -0.09 -0.14 0.00 0.47 0.00 0.00 55.06 55.43 1uit s HIS 109 Cb -0.12 0.06 0.04 0.00 -0.13 0.00 0.00 32.58 32.43 1uit s HIS 109 CO 0.02 -0.26 0.76 0.45 -2.47 0.00 0.00 174.74 173.24 1uit n SER 110 N 2.74 -0.61 -4.76 9.88 2.88 -1.26 -4.93 113.62 117.56 1uit n SER 110 Ca 0.11 0.50 -0.39 0.00 -1.33 0.00 0.00 58.87 57.75 1uit n SER 110 Cb 0.65 -1.33 -0.04 0.00 -0.75 0.00 0.00 64.21 62.73 1uit n SER 110 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1uit s ARG 111 N -3.61 4.54 0.16 -1.46 1.81 -1.26 -4.93 118.95 114.21 1uit s ARG 111 Ca 0.66 1.73 0.00 0.00 -1.72 0.00 0.00 55.73 56.39 1uit s ARG 111 Cb -0.28 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 1uit s ARG 111 CO 0.58 0.15 0.00 0.43 -0.68 0.00 0.00 175.30 175.78 1uit n SER 112 N 0.92 0.22 0.00 0.23 7.64 -1.26 -5.16 113.62 116.22 1uit n SER 112 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1uit n SER 112 Cb 0.46 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1uit n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uit n GLY 113 N 2.21 3.54 3.80 0.23 0.00 -1.26 -5.13 105.19 108.58 1uit n GLY 113 Ca 0.00 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 1uit n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uit s PRO 114 N -3.98 3.71 0.01 1.61 0.04 -1.26 -5.06 135.00 130.08 1uit s PRO 114 Ca 0.00 1.32 0.04 0.00 0.04 0.00 0.00 61.00 62.40 1uit s PRO 114 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1uit s PRO 114 CO 0.00 -0.50 -0.07 0.45 0.04 0.00 0.00 177.00 176.92 1uit s SER 115 N -2.16 4.60 0.23 6.66 0.15 -1.26 -5.12 113.70 116.80 1uit s SER 115 Ca 0.66 -0.16 -0.10 0.00 0.70 0.00 0.00 55.95 57.05 1uit s SER 115 Cb -0.16 -1.06 -0.07 0.00 -1.71 0.00 0.00 66.02 63.02 1uit s SER 115 CO 0.23 0.27 0.55 -0.94 1.20 0.00 0.00 173.24 174.56 1uit s SER 116 N -1.48 6.62 0.00 5.45 1.04 -1.26 -5.35 113.70 118.73 1uit s SER 116 Ca 0.17 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.52 1uit s SER 116 Cb -0.11 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1uit s SER 116 CO 0.08 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.84