#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 0.22 -0.19 1.61 0.01 -1.26 -5.17 113.70 108.93 1uit s SER 2 Ca 0.00 -0.60 -0.19 0.00 1.31 0.00 0.00 55.95 56.46 1uit s SER 2 Cb 0.00 0.22 0.05 0.00 0.21 0.00 0.00 66.02 66.50 1uit s SER 2 CO 0.00 -0.51 0.55 -0.94 0.41 0.00 0.00 173.24 172.74 1uit s SER 3 N -2.21 -0.56 0.04 2.44 1.04 -1.26 -5.17 113.70 108.02 1uit s SER 3 Ca -0.04 1.06 0.04 0.00 0.48 0.00 0.00 55.95 57.49 1uit s SER 3 Cb -0.00 1.08 -0.02 0.00 0.10 0.00 0.00 66.02 67.17 1uit s SER 3 CO -0.05 -0.21 -0.12 -0.83 0.98 0.00 0.00 173.24 173.00 1uit s GLY 4 N 0.18 0.70 -0.30 7.32 0.00 -1.26 -5.12 107.32 108.85 1uit s GLY 4 Ca -0.01 -0.80 -0.12 0.00 0.00 0.00 0.00 44.72 43.79 1uit s GLY 4 CO 0.01 -0.80 1.06 -0.45 0.00 0.00 0.00 173.10 172.92 1uit s SER 5 N -1.26 -0.42 0.38 1.64 0.15 -1.26 -5.18 113.70 107.76 1uit s SER 5 Ca -0.02 0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.86 1uit s SER 5 Cb -0.08 1.30 -0.06 0.00 -1.71 0.00 0.00 66.02 65.47 1uit s SER 5 CO 0.01 -0.08 0.06 -0.44 1.20 0.00 0.00 173.24 174.00 1uit s SER 6 N 2.96 4.17 0.00 5.45 0.01 -1.26 -5.11 113.70 119.92 1uit s SER 6 Ca 0.13 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.27 1uit s SER 6 Cb -0.06 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.70 1uit s SER 6 CO -0.17 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1uit n GLY 7 N -1.05 2.01 4.03 3.44 0.00 -1.26 -5.17 105.19 107.18 1uit n GLY 7 Ca -0.03 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 1.78 -0.30 -0.02 0.00 -1.26 -5.12 107.32 102.41 1uit s GLY 8 Ca 0.00 -1.99 -0.00 0.00 0.00 0.00 0.00 44.72 42.72 1uit s GLY 8 CO 0.00 -1.60 0.65 1.85 0.00 0.00 0.00 173.10 174.00 1uit s GLU 9 N -4.62 0.52 0.23 2.90 2.12 -1.26 -5.16 118.70 113.43 1uit s GLU 9 Ca 0.60 0.81 -0.11 0.00 0.36 0.00 0.00 54.97 56.63 1uit s GLU 9 Cb -0.07 0.43 -0.01 0.00 0.26 0.00 0.00 34.13 34.75 1uit s GLU 9 CO 0.38 -0.69 0.40 1.03 -0.54 0.00 0.00 175.26 175.84 1uit s ARG 10 N 2.86 1.44 0.11 4.30 3.00 -1.26 -5.09 118.95 124.31 1uit s ARG 10 Ca 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 55.73 54.62 1uit s ARG 10 Cb -0.13 0.43 0.00 0.00 0.00 0.00 0.00 34.95 35.25 1uit s ARG 10 CO -0.22 -0.57 0.00 0.54 0.00 0.00 0.00 175.30 175.05 1uit n ARG 11 N -0.34 0.00 -0.00 3.54 1.74 -1.26 -4.96 116.66 115.37 1uit n ARG 11 Ca -0.02 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1uit n ARG 11 Cb 0.63 -0.17 -0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1uit n ARG 11 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1uit h LYS 12 N 0.00 -0.02 -5.84 5.56 1.63 -2.07 -3.49 116.57 112.34 1uit h LYS 12 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1uit h LYS 12 Cb 0.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1uit h LYS 12 CO 0.00 -0.01 -0.88 -3.47 -3.45 0.00 0.00 179.45 171.64 1uit n ASP 13 N -2.70 -6.35 -4.02 4.20 2.03 -1.26 -4.87 116.55 103.58 1uit n ASP 13 Ca -0.00 0.91 -0.33 0.00 0.52 0.00 0.00 54.79 55.89 1uit n ASP 13 Cb 0.01 -3.02 -0.11 0.00 -0.72 0.00 0.00 41.12 37.27 1uit n ASP 13 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1uit s ARG 14 N -0.91 2.40 0.07 -0.67 0.52 -1.26 -4.68 118.95 114.41 1uit s ARG 14 Ca -0.04 -2.75 -0.14 0.00 -0.52 0.00 0.00 55.73 52.28 1uit s ARG 14 Cb 0.00 -3.56 -0.21 0.00 0.52 0.00 0.00 34.95 31.71 1uit s ARG 14 CO 0.31 -1.17 1.22 -1.00 0.02 0.00 0.00 175.30 174.67 1uit h PRO 15 N 6.51 0.69 0.00 3.54 0.13 -2.01 -3.45 132.00 137.41 1uit h PRO 15 Ca -0.00 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1uit h PRO 15 Cb 0.89 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1uit h PRO 15 CO 0.72 1.27 0.00 0.98 -0.23 0.00 0.00 178.00 180.74 1uit n TYR 16 N -3.94 -0.62 -3.66 1.56 4.19 -1.26 -5.14 117.16 108.29 1uit n TYR 16 Ca -0.10 0.00 -0.15 0.00 3.31 0.00 0.00 57.90 60.97 1uit n TYR 16 Cb 0.80 0.18 -0.08 0.00 0.49 0.00 0.00 39.34 40.73 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1uit s VAL 17 N -1.36 0.01 -0.57 2.97 0.11 -1.26 -5.03 120.40 115.27 1uit s VAL 17 Ca 0.00 -0.10 -0.39 0.00 -2.93 0.00 0.00 61.98 58.56 1uit s VAL 17 Cb 0.00 -0.80 -0.19 0.00 -1.53 0.00 0.00 36.38 33.86 1uit s VAL 17 CO 0.00 -0.06 2.13 -0.62 -3.33 0.00 0.00 175.10 173.22 1uit n GLU 18 N 1.94 0.00 -1.26 1.54 1.02 -1.26 -4.76 120.64 117.87 1uit n GLU 18 Ca -0.17 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.59 1uit n GLU 18 Cb 0.56 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1uit n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1uit n GLU 19 N 7.28 0.10 -2.46 3.49 1.02 -1.26 -4.28 120.64 124.53 1uit n GLU 19 Ca 0.54 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 1uit n GLU 19 Cb -0.02 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1uit s PRO 20 N -1.39 4.42 0.39 3.49 0.04 -1.26 -4.75 135.00 135.95 1uit s PRO 20 Ca 0.58 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.41 1uit s PRO 20 Cb -0.45 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 30.66 1uit s PRO 20 CO 0.65 -0.29 0.38 -0.98 0.04 0.00 0.00 177.00 176.80 1uit s ARG 21 N 1.37 2.65 -0.31 4.56 1.70 -0.94 -4.91 118.95 123.06 1uit s ARG 21 Ca 0.57 -1.41 0.01 0.00 -0.47 0.00 0.00 55.73 54.44 1uit s ARG 21 Cb -0.27 -2.47 0.07 0.00 -0.57 0.00 0.00 34.95 31.71 1uit s ARG 21 CO 0.27 -0.11 0.00 -1.01 -1.08 0.00 0.00 175.30 173.38 1uit s HIS 22 N -2.40 3.42 -0.33 5.89 3.76 -1.26 -2.16 115.29 122.22 1uit s HIS 22 Ca 0.47 -2.35 -0.12 0.00 -0.15 0.00 0.00 55.06 52.90 1uit s HIS 22 Cb -0.05 -2.39 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 1uit s HIS 22 CO 0.28 -0.88 0.22 0.08 -0.85 0.00 0.00 174.74 173.59 1uit s VAL 23 N 1.11 5.20 0.66 -0.90 1.01 -0.29 -4.90 120.40 122.29 1uit s VAL 23 Ca -0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 1uit s VAL 23 Cb -0.20 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1uit s VAL 23 CO -0.04 0.04 1.05 -0.54 0.00 0.00 0.00 175.10 175.61 1uit s LYS 24 N 1.72 3.14 -0.02 2.72 1.02 -1.26 -1.51 119.74 125.53 1uit s LYS 24 Ca 0.06 0.97 0.02 0.00 0.02 0.00 0.00 55.97 57.04 1uit s LYS 24 Cb -0.17 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1uit s LYS 24 CO 0.10 -0.94 -0.07 0.08 -0.92 0.00 0.00 175.35 173.60 1uit s VAL 25 N -2.94 0.61 -0.84 3.17 1.01 0.86 -4.59 120.40 117.69 1uit s VAL 25 Ca 0.59 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.31 1uit s VAL 25 Cb -0.14 -0.55 0.27 0.00 0.00 0.00 0.00 36.38 35.96 1uit s VAL 25 CO 0.50 0.20 1.02 0.00 0.00 0.00 0.00 175.10 176.82 1uit n GLN 26 N 3.27 3.25 0.00 2.72 6.02 -1.26 -1.88 117.38 129.50 1uit n GLN 26 Ca -0.17 -4.60 0.00 0.00 -0.01 0.00 0.00 57.00 52.21 1uit n GLN 26 Cb 0.55 -2.37 0.00 0.00 1.02 0.00 0.00 30.24 29.44 1uit n GLN 26 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1uit n LYS 27 N 1.24 0.00 -1.74 -1.09 4.01 0.29 -4.94 118.16 115.94 1uit n LYS 27 Ca 0.27 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 1uit n LYS 27 Cb 0.37 -0.69 0.00 0.00 -0.51 0.00 0.00 35.03 34.21 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uit n GLY 28 N 0.16 0.66 2.56 0.72 0.00 -0.88 -4.20 105.19 104.22 1uit n GLY 28 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1uit n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uit n SER 29 N -1.21 -3.51 -3.93 1.61 7.64 -1.26 -4.99 113.62 107.97 1uit n SER 29 Ca 0.00 -0.32 -0.09 0.00 1.01 0.00 0.00 58.87 59.47 1uit n SER 29 Cb 0.49 -3.09 -0.09 0.00 -1.01 0.00 0.00 64.21 60.52 1uit n SER 29 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1uit s GLU 30 N -5.36 0.68 0.91 1.43 8.01 -1.26 -5.13 118.70 117.99 1uit s GLU 30 Ca 0.20 -0.89 -0.12 0.00 0.01 0.00 0.00 54.97 54.16 1uit s GLU 30 Cb -0.09 0.27 0.14 0.00 -4.31 0.00 0.00 34.13 30.14 1uit s GLU 30 CO 0.41 -0.18 1.14 -1.25 0.01 0.00 0.00 175.26 175.39 1uit s PRO 31 N -3.23 1.11 -0.15 0.39 0.04 -1.26 -4.85 135.00 127.04 1uit s PRO 31 Ca 0.00 0.28 -0.13 0.00 0.04 0.00 0.00 61.00 61.19 1uit s PRO 31 Cb 0.02 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.63 1uit s PRO 31 CO -0.08 -2.22 0.09 1.25 0.04 0.00 0.00 177.00 176.09 1uit h LEU 32 N -1.51 0.00 -2.54 -3.56 5.85 -1.95 -3.35 115.31 108.25 1uit h LEU 32 Ca -0.50 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1uit h LEU 32 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 1uit h LEU 32 CO 0.61 0.94 0.00 0.61 -0.34 0.00 0.00 178.44 180.26 1uit n GLY 33 N 1.60 0.61 3.36 3.75 0.00 -1.26 -1.93 105.19 111.32 1uit n GLY 33 Ca -0.13 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.85 0.03 -0.06 -0.61 -4.36 -1.26 0.85 121.20 112.94 1uit s ILE 34 Ca 0.00 -0.24 -0.07 0.00 -0.26 0.00 0.00 60.65 60.08 1uit s ILE 34 Cb 0.00 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 1uit s ILE 34 CO 0.00 -0.13 0.21 -0.55 0.24 0.00 0.00 174.94 174.71 1uit s SER 35 N -1.02 6.47 0.10 4.36 0.15 0.36 -4.93 113.70 119.19 1uit s SER 35 Ca -0.10 0.54 0.04 0.00 0.70 0.00 0.00 55.95 57.12 1uit s SER 35 Cb -0.03 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1uit s SER 35 CO 0.06 0.34 -0.11 0.27 1.20 0.00 0.00 173.24 175.00 1uit s ILE 36 N -1.14 1.01 0.03 6.45 -5.25 -1.26 0.13 121.20 121.16 1uit s ILE 36 Ca 0.21 -1.67 -0.03 0.00 -0.99 0.00 0.00 60.65 58.16 1uit s ILE 36 Cb -0.13 -1.41 -0.02 0.00 2.95 0.00 0.00 42.46 43.85 1uit s ILE 36 CO 0.10 -0.55 0.05 0.68 -1.79 0.00 0.00 174.94 173.43 1uit s VAL 37 N -2.45 0.13 0.06 8.37 -7.23 0.71 -4.71 120.40 115.28 1uit s VAL 37 Ca 0.07 -1.10 0.06 0.00 -1.81 0.00 0.00 61.98 59.19 1uit s VAL 37 Cb -0.03 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 1uit s VAL 37 CO 0.00 -0.60 -0.09 -0.55 -0.31 0.00 0.00 175.10 173.55 1uit s SER 38 N -1.96 4.45 -0.13 4.85 0.15 -1.26 -0.47 113.70 119.34 1uit s SER 38 Ca -0.08 -0.29 0.12 0.00 0.70 0.00 0.00 55.95 56.40 1uit s SER 38 Cb -0.03 -0.92 0.57 0.00 -1.71 0.00 0.00 66.02 63.92 1uit s SER 38 CO -0.04 0.22 1.41 0.61 1.20 0.00 0.00 173.24 176.64 1uit n GLY 39 N 1.09 2.31 5.00 9.45 0.00 -1.19 -4.95 105.19 116.91 1uit n GLY 39 Ca -0.14 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.61 0.00 -0.24 1.61 2.13 -1.26 -4.19 120.64 119.30 1uit n GLU 40 Ca 0.20 0.00 0.04 0.00 0.66 0.00 0.00 57.16 58.06 1uit n GLU 40 Cb 0.82 0.00 0.17 0.00 0.27 0.00 0.00 31.44 32.70 1uit n GLU 40 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1uit h LYS 41 N 0.00 0.38 0.00 5.31 1.63 -2.01 -3.46 116.57 118.42 1uit h LYS 41 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1uit h LYS 41 Cb 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1uit h LYS 41 CO 0.00 0.25 0.00 0.41 -3.45 0.00 0.00 179.45 176.66 1uit n GLY 42 N -1.33 3.58 0.00 5.01 0.00 -1.26 -5.10 105.19 106.09 1uit n GLY 42 Ca 0.13 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.18 2.35 3.22 -0.02 0.00 -1.26 -4.41 105.19 103.89 1uit n GLY 43 Ca 0.00 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.09 1.73 -0.04 -0.61 -1.09 -1.26 -3.18 121.20 114.65 1uit s ILE 44 Ca 0.00 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.54 1uit s ILE 44 Cb 0.00 -1.45 0.01 0.00 -1.58 0.00 0.00 42.46 39.44 1uit s ILE 44 CO 0.00 0.49 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.78 1uit s TYR 45 N -0.29 1.23 0.22 3.97 1.51 0.38 -0.61 117.35 123.76 1uit s TYR 45 Ca 0.03 -0.37 -0.32 0.00 -1.01 0.00 0.00 57.07 55.40 1uit s TYR 45 Cb -0.10 -0.88 -0.12 0.00 -0.11 0.00 0.00 41.96 40.74 1uit s TYR 45 CO 0.01 -0.17 1.69 0.28 -1.11 0.00 0.00 175.55 176.25 1uit n VAL 46 N 3.46 0.20 -0.01 0.71 0.31 -1.26 -0.21 118.33 121.53 1uit n VAL 46 Ca -0.20 -0.05 0.08 0.00 -0.01 0.00 0.00 64.34 64.16 1uit n VAL 46 Cb 0.53 -1.95 -0.14 0.00 -0.91 0.00 0.00 33.84 31.37 1uit n VAL 46 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1uit n SER 47 N 3.59 0.82 -3.60 4.52 2.88 0.34 -3.41 113.62 118.75 1uit n SER 47 Ca 0.15 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.69 1uit n SER 47 Cb 0.35 1.78 -0.01 0.00 -0.75 0.00 0.00 64.21 65.58 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 -3.22 0.14 0.08 -1.46 2.20 -1.15 -4.89 119.74 111.44 1uit s LYS 48 Ca -0.07 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1uit s LYS 48 Cb 0.11 0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 1uit s LYS 48 CO 0.76 -0.06 -0.09 0.08 -0.36 0.00 0.00 175.35 175.67 1uit s VAL 49 N -2.17 0.77 0.08 4.02 1.01 -1.26 0.14 120.40 122.99 1uit s VAL 49 Ca 0.13 -1.48 -0.00 0.00 0.00 0.00 0.00 61.98 60.63 1uit s VAL 49 Cb 0.04 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1uit s VAL 49 CO -0.05 -0.53 0.24 -0.89 0.00 0.00 0.00 175.10 173.87 1uit s THR 50 N -2.21 5.36 0.06 3.92 2.01 0.25 -4.92 115.64 120.11 1uit s THR 50 Ca 0.01 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 1uit s THR 50 Cb -0.04 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1uit s THR 50 CO -0.01 0.10 0.40 0.54 -0.69 0.00 0.00 174.62 174.96 1uit s VAL 51 N -1.56 5.08 -0.01 3.82 0.11 -1.26 -3.93 120.40 122.66 1uit s VAL 51 Ca 0.36 0.52 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 1uit s VAL 51 Cb -0.13 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1uit s VAL 51 CO 0.28 0.34 0.00 0.61 -3.33 0.00 0.00 175.10 173.00 1uit n GLY 52 N 1.07 0.16 3.96 6.54 0.00 -1.26 -4.97 105.19 110.70 1uit n GLY 52 Ca -0.09 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1uit n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uit s SER 53 N -2.00 6.32 0.09 1.61 0.01 -1.25 -4.95 113.70 113.52 1uit s SER 53 Ca 0.00 0.16 -0.17 0.00 1.31 0.00 0.00 55.95 57.25 1uit s SER 53 Cb 0.00 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.29 1uit s SER 53 CO 0.00 -0.09 1.30 0.40 0.41 0.00 0.00 173.24 175.25 1uit h ILE 54 N 1.16 0.00 -0.54 1.44 1.08 -1.67 0.12 117.51 119.10 1uit h ILE 54 Ca -0.51 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.01 1uit h ILE 54 Cb 1.22 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 1uit h ILE 54 CO 0.62 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 177.76 1uit n ALA 55 N -3.11 -0.34 -0.36 1.87 0.00 -0.81 0.12 120.51 117.88 1uit n ALA 55 Ca 0.01 0.46 0.04 0.00 0.00 0.00 0.00 53.44 53.94 1uit n ALA 55 Cb 0.15 0.09 0.10 0.00 0.00 0.00 0.00 19.45 19.79 1uit n ALA 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1uit n HIS 56 N -4.24 0.24 -0.26 0.00 -0.00 -0.08 0.19 115.22 111.06 1uit n HIS 56 Ca 0.01 1.19 -0.05 0.00 -0.00 0.00 0.00 57.72 58.87 1uit n HIS 56 Cb 0.14 -1.00 0.06 0.00 -0.00 0.00 0.00 29.99 29.19 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 1.00 -0.09 1.57 4.20 0.21 -1.00 115.11 121.00 1uit h GLN 57 Ca 0.42 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 59.05 1uit h GLN 57 Cb 0.67 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1uit h GLN 57 CO -0.99 0.73 0.07 0.00 -0.67 0.00 0.00 178.83 177.97 1uit h ALA 58 N 1.21 2.04 -0.63 3.87 0.00 0.69 -3.46 119.26 122.98 1uit h ALA 58 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1uit h ALA 58 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1uit h ALA 58 CO -0.04 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1uit n GLY 59 N -1.54 0.68 3.94 0.00 0.00 0.97 -4.71 105.19 104.53 1uit n GLY 59 Ca -0.01 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.63 3.09 0.21 0.99 1.43 -1.17 -5.04 118.68 117.57 1uit s LEU 60 Ca 0.00 0.36 -0.20 0.00 -1.03 0.00 0.00 54.13 53.25 1uit s LEU 60 Cb 0.00 -3.12 0.04 0.00 0.03 0.00 0.00 46.19 43.13 1uit s LEU 60 CO 0.00 -1.30 0.61 -1.83 0.23 0.00 0.00 176.35 174.06 1uit s GLU 61 N -5.01 1.49 0.50 1.70 -1.05 -1.26 -4.85 118.70 110.22 1uit s GLU 61 Ca 0.57 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 54.49 1uit s GLU 61 Cb -0.11 0.57 -0.06 0.00 -0.44 0.00 0.00 34.13 34.10 1uit s GLU 61 CO 0.42 -0.66 0.90 -0.47 0.95 0.00 0.00 175.26 176.40 1uit s TYR 62 N -3.85 3.52 0.00 4.83 6.14 -1.26 -3.72 117.35 123.00 1uit s TYR 62 Ca 0.07 1.18 0.00 0.00 0.64 0.00 0.00 57.07 58.97 1uit s TYR 62 Cb -0.03 -2.58 0.00 0.00 0.42 0.00 0.00 41.96 39.77 1uit s TYR 62 CO -0.03 -0.35 0.00 0.41 0.64 0.00 0.00 175.55 176.22 1uit n GLY 63 N -1.90 2.21 3.52 8.97 0.00 -1.22 -4.96 105.19 111.81 1uit n GLY 63 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.60 6.24 0.14 1.61 1.11 -1.24 -4.20 116.67 116.73 1uit s ASP 64 Ca 0.00 -0.52 -0.34 0.00 0.18 0.00 0.00 52.55 51.86 1uit s ASP 64 Cb 0.00 -2.49 -0.14 0.00 1.07 0.00 0.00 42.92 41.36 1uit s ASP 64 CO 0.00 -1.53 1.52 1.67 1.18 0.00 0.00 175.17 178.02 1uit n GLN 65 N 8.29 1.92 -2.96 8.23 7.27 -1.26 -4.01 117.38 134.87 1uit n GLN 65 Ca 0.01 0.69 -0.43 0.00 0.07 0.00 0.00 57.00 57.35 1uit n GLN 65 Cb 0.48 -2.43 -0.05 0.00 2.41 0.00 0.00 30.24 30.64 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 0.81 4.37 0.00 1.69 1.43 0.22 -3.18 118.68 124.02 1uit s LEU 66 Ca 0.80 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 1uit s LEU 66 Cb -0.74 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1uit s LEU 66 CO 0.40 -1.04 0.11 0.18 0.23 0.00 0.00 176.35 176.23 1uit n LEU 67 N 6.89 1.18 -4.19 1.79 4.77 -0.66 -4.13 117.00 122.64 1uit n LEU 67 Ca -0.00 0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1uit n LEU 67 Cb 0.47 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 1uit n LEU 67 CO 0.59 -0.27 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.35 1uit s GLU 68 N -0.76 0.90 -0.29 3.23 2.02 -1.18 -1.14 118.70 121.47 1uit s GLU 68 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.80 1uit s GLU 68 Cb 0.00 -0.60 0.08 0.00 0.10 0.00 0.00 34.13 33.71 1uit s GLU 68 CO 0.00 0.09 0.01 0.12 0.02 0.00 0.00 175.26 175.50 1uit s PHE 69 N -2.49 2.74 -0.66 1.61 2.19 -1.26 -1.34 117.98 118.78 1uit s PHE 69 Ca 0.07 -2.19 0.00 0.00 0.33 0.00 0.00 56.93 55.14 1uit s PHE 69 Cb -0.03 -2.07 0.00 0.00 -1.31 0.00 0.00 43.02 39.62 1uit s PHE 69 CO 0.01 -0.86 0.00 -1.71 1.83 0.00 0.00 175.22 174.48 1uit n ASN 70 N 4.56 -5.33 0.00 6.13 2.85 0.13 -0.48 115.26 123.12 1uit n ASN 70 Ca -0.05 0.15 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1uit n ASN 70 Cb 0.43 -3.38 0.00 0.00 1.24 0.00 0.00 39.78 38.07 1uit n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1uit n GLY 71 N -0.12 0.48 0.06 8.20 0.00 -1.26 -4.91 105.19 107.65 1uit n GLY 71 Ca -0.06 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.15 1uit n GLY 71 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1uit n ILE 72 N -2.84 0.03 -2.90 -0.61 3.06 0.37 -4.93 119.36 111.54 1uit n ILE 72 Ca 0.00 -0.04 -0.03 0.00 -2.50 0.00 0.00 62.75 60.18 1uit n ILE 72 Cb 0.00 -0.10 0.00 0.00 0.54 0.00 0.00 39.64 40.08 1uit n ILE 72 CO 0.00 0.00 0.00 -3.20 -2.50 0.00 0.00 176.55 170.85 1uit n ASN 73 N -0.54 -7.53 0.05 9.51 2.85 -1.26 -4.88 115.26 113.46 1uit n ASN 73 Ca 0.08 1.00 0.07 0.00 -0.11 0.00 0.00 54.58 55.62 1uit n ASN 73 Cb 0.06 -4.18 -0.07 0.00 1.24 0.00 0.00 39.78 36.84 1uit n ASN 73 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1uit n LEU 74 N 0.72 0.60 -0.06 1.20 4.77 -1.20 -4.05 117.00 118.98 1uit n LEU 74 Ca 0.01 0.24 0.24 0.00 -0.03 0.00 0.00 56.01 56.47 1uit n LEU 74 Cb 0.21 0.02 0.56 0.00 -2.33 0.00 0.00 43.42 41.88 1uit n LEU 74 CO 0.34 -0.03 1.22 0.03 -1.33 0.00 0.00 177.39 177.62 1uit h ARG 75 N 0.00 0.00 -2.19 3.23 3.08 -1.38 0.14 114.38 117.26 1uit h ARG 75 Ca -0.07 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.43 1uit h ARG 75 Cb 1.21 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.84 1uit h ARG 75 CO 0.01 0.00 -0.83 0.45 -1.07 0.00 0.00 179.97 178.53 1uit n SER 76 N -3.39 3.25 -4.11 7.04 2.88 -1.26 -4.01 113.62 114.03 1uit n SER 76 Ca 0.16 -3.46 -0.08 0.00 -1.33 0.00 0.00 58.87 54.16 1uit n SER 76 Cb 1.13 -0.58 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 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 -3.11 0.62 0.58 -1.46 0.00 0.48 -5.08 121.76 113.80 1uit s ALA 77 Ca 0.46 -1.28 0.09 0.00 0.00 0.00 0.00 51.96 51.22 1uit s ALA 77 Cb 0.30 0.41 0.08 0.00 0.00 0.00 0.00 23.12 23.92 1uit s ALA 77 CO -0.12 -0.39 0.71 0.95 0.00 0.00 0.00 175.76 176.91 1uit s THR 78 N -3.94 1.95 0.19 0.00 -4.23 -1.26 -4.27 115.64 104.08 1uit s THR 78 Ca 0.12 -1.12 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 1uit s THR 78 Cb 0.08 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1uit s THR 78 CO -0.07 0.00 1.53 1.05 -0.54 0.00 0.00 174.62 176.59 1uit h GLU 79 N 0.28 0.69 -0.81 3.99 4.11 -1.91 -0.40 114.58 120.52 1uit h GLU 79 Ca -0.31 -0.37 -0.04 0.00 0.07 0.00 0.00 59.36 58.71 1uit h GLU 79 Cb 1.29 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 1uit h GLU 79 CO 0.44 0.99 0.34 -0.56 0.07 0.00 0.00 179.01 180.29 1uit h GLN 80 N 0.56 1.21 0.09 1.06 3.07 -1.96 -1.45 115.11 117.68 1uit h GLN 80 Ca 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 58.65 58.56 1uit h GLN 80 Cb 0.98 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.34 1uit h GLN 80 CO 0.09 0.97 -0.04 1.96 0.09 0.00 0.00 178.83 181.89 1uit h GLN 81 N 1.18 -0.11 -0.45 0.06 7.50 -1.92 -3.07 115.11 118.29 1uit h GLN 81 Ca 0.27 0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.50 1uit h GLN 81 Cb 0.20 0.03 -0.09 0.00 0.05 0.00 0.00 27.48 27.66 1uit h GLN 81 CO -0.02 0.39 -0.45 0.00 -1.50 0.00 0.00 178.83 177.24 1uit h ALA 82 N 0.10 -0.47 -1.16 3.87 0.00 -0.98 1.60 119.26 122.22 1uit h ALA 82 Ca -0.01 0.06 0.33 0.00 0.00 0.00 0.00 54.91 55.29 1uit h ALA 82 Cb 0.55 0.95 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 1uit h ALA 82 CO 0.02 -0.89 0.81 0.00 0.00 0.00 0.00 179.25 179.19 1uit h ARG 83 N -0.32 0.10 0.00 0.00 3.08 -1.34 0.34 114.38 116.25 1uit h ARG 83 Ca 0.14 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1uit h ARG 83 Cb 0.58 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 1uit h ARG 83 CO -0.61 0.07 -0.18 -0.07 -1.07 0.00 0.00 179.97 178.12 1uit h LEU 84 N 0.11 0.00 -0.72 3.04 3.38 0.90 -2.43 115.31 119.58 1uit h LEU 84 Ca 0.58 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 58.45 1uit h LEU 84 Cb 2.08 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.72 1uit h LEU 84 CO -0.10 0.69 -0.47 0.40 0.09 0.00 0.00 178.44 179.05 1uit h ILE 85 N -1.00 0.04 -0.01 1.22 2.04 0.31 1.49 117.51 121.60 1uit h ILE 85 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1uit h ILE 85 Cb 0.35 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1uit h ILE 85 CO -0.01 0.00 -0.11 0.16 0.00 0.00 0.00 178.15 178.19 1uit h ILE 86 N -0.16 1.09 -0.40 -0.67 3.07 -0.56 -1.77 117.51 118.11 1uit h ILE 86 Ca 0.19 -0.40 -0.25 0.00 1.55 0.00 0.00 64.86 65.95 1uit h ILE 86 Cb 0.54 1.20 -0.12 0.00 -0.27 0.00 0.00 36.82 38.17 1uit h ILE 86 CO -0.78 0.12 0.32 0.61 -1.05 0.00 0.00 178.15 177.36 1uit n GLY 87 N -1.20 3.56 1.66 0.16 0.00 0.50 -4.52 105.19 105.35 1uit n GLY 87 Ca -0.02 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 0.31 0.68 -4.00 1.61 6.02 -0.67 -4.89 117.38 116.44 1uit n GLN 88 Ca 0.25 -1.28 -0.34 0.00 -0.01 0.00 0.00 57.00 55.61 1uit n GLN 88 Cb 0.70 -0.15 -0.15 0.00 1.02 0.00 0.00 30.24 31.66 1uit n GLN 88 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1uit s GLN 89 N -3.24 3.04 -0.30 -1.09 0.00 -1.26 -4.90 119.66 111.91 1uit s GLN 89 Ca 0.27 -0.83 -0.12 0.00 -0.00 0.00 0.00 55.36 54.67 1uit s GLN 89 Cb -0.02 -2.86 0.17 0.00 0.00 0.00 0.00 33.01 30.30 1uit s GLN 89 CO 0.17 -0.28 0.93 0.00 0.00 0.00 0.00 175.29 176.11 1uit h ASP 91 N 7.73 -0.94 -3.36 0.00 3.32 -1.93 -3.31 116.42 117.92 1uit h ASP 91 Ca -0.16 0.21 -0.49 0.00 0.02 0.00 0.00 57.03 56.61 1uit h ASP 91 Cb 1.14 0.51 -0.35 0.00 0.22 0.00 0.00 39.33 40.85 1uit h ASP 91 CO 0.06 -0.27 -0.80 -0.89 -1.72 0.00 0.00 179.24 175.61 1uit s THR 92 N -6.09 0.96 -0.00 0.35 2.01 -1.26 -0.55 115.64 111.06 1uit s THR 92 Ca -0.14 -0.34 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1uit s THR 92 Cb 0.17 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.75 1uit s THR 92 CO 0.71 0.33 -0.05 -0.51 -0.69 0.00 0.00 174.62 174.40 1uit s ILE 93 N 1.01 0.42 0.19 1.82 -1.16 -0.79 -4.97 121.20 117.73 1uit s ILE 93 Ca -0.09 -0.23 0.01 0.00 -0.51 0.00 0.00 60.65 59.83 1uit s ILE 93 Cb -0.15 -0.36 -0.04 0.00 0.61 0.00 0.00 42.46 42.53 1uit s ILE 93 CO -0.00 0.12 0.35 -0.89 -2.81 0.00 0.00 174.94 171.71 1uit s THR 94 N -0.13 5.25 0.03 4.00 2.01 -1.26 -0.10 115.64 125.44 1uit s THR 94 Ca 0.02 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1uit s THR 94 Cb -0.02 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 1uit s THR 94 CO -0.00 -0.17 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.07 1uit s ILE 95 N -1.85 0.41 -0.24 1.82 1.01 -0.57 0.17 121.20 121.95 1uit s ILE 95 Ca 0.37 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 1uit s ILE 95 Cb -0.11 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 41.92 1uit s ILE 95 CO 0.29 -0.32 -0.09 -0.22 0.00 0.00 0.00 174.94 174.60 1uit s LEU 96 N -1.28 3.10 0.52 2.97 1.98 -0.45 -1.14 118.68 124.39 1uit s LEU 96 Ca -0.09 -0.96 0.05 0.00 -2.89 0.00 0.00 54.13 50.24 1uit s LEU 96 Cb -0.08 -1.61 0.02 0.00 0.66 0.00 0.00 46.19 45.17 1uit s LEU 96 CO 0.00 -0.12 0.29 0.00 -1.89 0.00 0.00 176.35 174.63 1uit s ALA 97 N 1.27 4.28 -0.37 5.97 0.00 -0.92 -1.66 121.76 130.33 1uit s ALA 97 Ca -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 1uit s ALA 97 Cb -0.17 -0.53 0.21 0.00 0.00 0.00 0.00 23.12 22.63 1uit s ALA 97 CO -0.06 -0.32 1.05 0.94 0.00 0.00 0.00 175.76 177.38 1uit n GLN 98 N -1.60 0.18 -1.28 0.00 7.27 -1.19 -2.22 117.38 118.54 1uit n GLN 98 Ca -0.06 -0.98 -0.50 0.00 0.07 0.00 0.00 57.00 55.54 1uit n GLN 98 Cb 0.65 -0.14 -0.06 0.00 2.41 0.00 0.00 30.24 33.09 1uit n GLN 98 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1uit n TYR 99 N 2.57 0.46 -3.91 3.69 4.19 -1.26 -4.30 117.16 118.59 1uit n TYR 99 Ca 0.12 0.90 -0.35 0.00 3.31 0.00 0.00 57.90 61.88 1uit n TYR 99 Cb 0.64 -1.78 -0.14 0.00 0.49 0.00 0.00 39.34 38.55 1uit n TYR 99 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1uit s ASN 100 N -0.08 4.88 -0.57 2.98 0.01 -1.26 -4.10 114.94 116.80 1uit s ASN 100 Ca 0.76 -1.35 -0.06 0.00 -0.71 0.00 0.00 52.86 51.50 1uit s ASN 100 Cb -1.06 -1.71 -0.14 0.00 0.41 0.00 0.00 41.25 38.75 1uit s ASN 100 CO 0.49 -0.27 2.68 -0.81 -1.51 0.00 0.00 177.10 177.68 1uit n PRO 101 N 4.60 2.10 -2.67 -0.60 -0.04 -1.26 -3.55 135.00 133.58 1uit n PRO 101 Ca -0.12 -1.23 -0.04 0.00 -0.04 0.00 0.00 63.50 62.07 1uit n PRO 101 Cb 0.43 -2.21 0.06 0.00 -0.04 0.00 0.00 33.50 31.74 1uit n PRO 101 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1uit n HIS 102 N 3.23 -0.78 -4.29 0.54 -0.00 -1.26 -5.15 115.22 107.51 1uit n HIS 102 Ca 0.45 -0.95 -0.18 0.00 -0.00 0.00 0.00 57.72 57.04 1uit n HIS 102 Cb 0.45 1.25 -0.15 0.00 -0.00 0.00 0.00 29.99 31.55 1uit n HIS 102 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1uit s VAL 103 N 0.07 0.62 -0.09 3.57 1.01 -1.23 -5.14 120.40 119.20 1uit s VAL 103 Ca 0.14 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1uit s VAL 103 Cb 0.22 -0.54 0.10 0.00 0.00 0.00 0.00 36.38 36.16 1uit s VAL 103 CO -0.11 0.19 0.86 -1.38 0.00 0.00 0.00 175.10 174.66 1uit s HIS 104 N 0.06 -0.47 0.17 5.22 -3.43 -1.26 -5.13 115.29 110.46 1uit s HIS 104 Ca -0.01 0.72 0.10 0.00 -0.80 0.00 0.00 55.06 55.07 1uit s HIS 104 Cb -0.06 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 1uit s HIS 104 CO -0.00 -0.48 -0.21 -0.65 -2.00 0.00 0.00 174.74 171.40 1uit s GLN 105 N -1.53 1.38 0.02 -0.38 -0.21 -1.26 -5.14 119.66 112.54 1uit s GLN 105 Ca -0.04 -1.44 0.03 0.00 0.02 0.00 0.00 55.36 53.94 1uit s GLN 105 Cb -0.00 -1.59 -0.04 0.00 1.00 0.00 0.00 33.01 32.38 1uit s GLN 105 CO 0.02 0.34 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.33 1uit s LEU 106 N -2.57 3.34 0.60 2.90 2.96 -1.26 -5.01 118.68 119.65 1uit s LEU 106 Ca 0.17 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 1uit s LEU 106 Cb -0.07 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1uit s LEU 106 CO 0.08 0.26 0.00 -1.20 -1.32 0.00 0.00 176.35 174.16 1uit n SER 107 N 1.27 -7.59 -0.06 3.68 7.64 -1.26 -4.86 113.62 112.43 1uit n SER 107 Ca -0.14 1.45 -0.04 0.00 1.01 0.00 0.00 58.87 61.15 1uit n SER 107 Cb 0.52 -4.91 -0.01 0.00 -1.01 0.00 0.00 64.21 58.81 1uit n SER 107 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1uit h SER 108 N -1.30 0.00 -3.55 6.43 0.02 -2.03 -3.51 113.55 109.61 1uit h SER 108 Ca -0.18 0.00 0.34 0.00 -0.84 0.00 0.00 61.79 61.11 1uit h SER 108 Cb 1.30 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.69 1uit h SER 108 CO 0.07 0.68 -0.92 1.57 -1.14 0.00 0.00 176.83 177.08 1uit n HIS 109 N -4.51 -3.48 -1.34 3.45 -0.00 -1.26 -4.98 115.22 103.10 1uit n HIS 109 Ca -0.06 1.85 0.17 0.00 -0.00 0.00 0.00 57.72 59.69 1uit n HIS 109 Cb 0.21 -3.17 -0.05 0.00 -0.00 0.00 0.00 29.99 26.98 1uit n HIS 109 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1uit n SER 110 N -4.16 -7.84 -2.26 0.26 3.41 -1.26 -5.00 113.62 96.76 1uit n SER 110 Ca -0.05 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1uit n SER 110 Cb 0.62 -4.18 0.00 0.00 -0.26 0.00 0.00 64.21 60.39 1uit n SER 110 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1uit n ARG 111 N -3.98 -5.21 -4.58 4.33 3.00 -1.26 -5.03 116.66 103.93 1uit n ARG 111 Ca -0.01 3.73 -0.22 0.00 -0.01 0.00 0.00 57.85 61.34 1uit n ARG 111 Cb 0.66 -4.46 -0.15 0.00 0.00 0.00 0.00 32.46 28.50 1uit n ARG 111 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1uit s SER 112 N -0.55 1.56 0.00 0.55 0.01 -1.26 -5.10 113.70 108.91 1uit s SER 112 Ca 0.00 -0.24 -0.30 0.00 1.31 0.00 0.00 55.95 56.72 1uit s SER 112 Cb 0.00 -0.27 -0.08 0.00 0.21 0.00 0.00 66.02 65.88 1uit s SER 112 CO 0.00 0.14 2.00 -0.83 0.41 0.00 0.00 173.24 174.96 1uit s GLY 113 N -0.14 1.33 0.53 3.44 0.00 -1.26 -4.95 107.32 106.26 1uit s GLY 113 Ca 0.02 1.26 -0.18 0.00 0.00 0.00 0.00 44.72 45.81 1uit s GLY 113 CO 0.00 3.52 1.04 2.56 0.00 0.00 0.00 173.10 180.22 1uit s PRO 114 N 4.72 3.63 0.34 2.90 0.04 -1.26 -5.07 135.00 140.30 1uit s PRO 114 Ca 0.90 1.28 0.09 0.00 0.04 0.00 0.00 61.00 63.32 1uit s PRO 114 Cb -0.41 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.99 1uit s PRO 114 CO 0.41 -0.57 -0.10 -1.12 0.04 0.00 0.00 177.00 175.67 1uit s SER 115 N -2.34 3.71 -0.64 6.66 0.01 -1.26 -5.03 113.70 114.80 1uit s SER 115 Ca 0.65 -1.20 -0.38 0.00 1.31 0.00 0.00 55.95 56.33 1uit s SER 115 Cb -0.16 -0.34 -0.19 0.00 0.21 0.00 0.00 66.02 65.54 1uit s SER 115 CO 0.27 -0.20 2.33 -0.24 0.41 0.00 0.00 173.24 175.81 1uit n SER 116 N -0.79 0.79 0.00 2.44 2.88 -1.26 -5.33 113.62 112.36 1uit n SER 116 Ca -0.05 0.46 0.12 0.00 -1.33 0.00 0.00 58.87 58.07 1uit n SER 116 Cb 0.63 -0.96 0.74 0.00 -0.75 0.00 0.00 64.21 63.87 1uit n SER 116 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42