#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 3.03 -0.19 1.61 0.15 -1.26 -3.98 113.70 113.06 1uit s SER 2 Ca 0.00 -1.69 -0.15 0.00 0.70 0.00 0.00 55.95 54.81 1uit s SER 2 Cb 0.00 -0.27 0.05 0.00 -1.71 0.00 0.00 66.02 64.09 1uit s SER 2 CO 0.00 -0.37 0.48 -0.44 1.20 0.00 0.00 173.24 174.12 1uit s SER 3 N 1.60 -0.54 0.00 5.45 0.01 -1.26 -5.07 113.70 113.89 1uit s SER 3 Ca 0.14 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.39 1uit s SER 3 Cb -0.19 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.01 1uit s SER 3 CO -0.17 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1uit n GLY 4 N 3.26 0.12 3.63 3.44 0.00 -1.26 -5.07 105.19 109.30 1uit n GLY 4 Ca -0.16 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1uit n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uit s SER 5 N 0.00 6.26 -0.87 1.61 0.01 -1.26 -5.02 113.70 114.43 1uit s SER 5 Ca 0.00 0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.55 1uit s SER 5 Cb 0.00 -2.19 0.21 0.00 0.21 0.00 0.00 66.02 64.25 1uit s SER 5 CO 0.00 -0.11 0.74 -0.44 0.41 0.00 0.00 173.24 173.84 1uit s SER 6 N 1.43 5.82 -0.36 2.44 0.01 -1.26 -5.04 113.70 116.73 1uit s SER 6 Ca 0.14 -3.78 -0.29 0.00 1.31 0.00 0.00 55.95 53.34 1uit s SER 6 Cb -0.15 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1uit s SER 6 CO 0.09 -0.16 1.39 -0.83 0.41 0.00 0.00 173.24 174.14 1uit s GLY 7 N -0.40 1.19 0.00 3.44 0.00 -1.26 -4.77 107.32 105.52 1uit s GLY 7 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1uit s GLY 7 CO -0.13 2.73 0.00 0.61 0.00 0.00 0.00 173.10 176.31 1uit n GLY 8 N 4.81 0.27 3.52 0.20 0.00 -1.26 -5.09 105.19 107.64 1uit n GLY 8 Ca 0.16 -1.29 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 1uit n GLY 8 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uit n GLU 9 N 0.00 -1.72 -2.03 1.61 2.13 -1.26 -4.81 120.64 114.55 1uit n GLU 9 Ca 0.00 1.20 -0.42 0.00 0.66 0.00 0.00 57.16 58.60 1uit n GLU 9 Cb 0.00 -2.96 -0.03 0.00 0.27 0.00 0.00 31.44 28.72 1uit n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1uit s ARG 10 N -3.67 4.24 0.33 5.31 1.81 -1.26 -4.95 118.95 120.76 1uit s ARG 10 Ca 0.15 2.22 -0.29 0.00 -1.72 0.00 0.00 55.73 56.09 1uit s ARG 10 Cb -0.02 -3.39 -0.10 0.00 -0.45 0.00 0.00 34.95 30.99 1uit s ARG 10 CO 0.86 -0.60 1.38 0.50 -0.68 0.00 0.00 175.30 176.76 1uit s ARG 11 N 1.82 4.27 -0.29 3.54 3.52 -1.26 -5.00 118.95 125.56 1uit s ARG 11 Ca 0.69 2.34 0.02 0.00 -0.13 0.00 0.00 55.73 58.64 1uit s ARG 11 Cb -0.39 -3.05 0.06 0.00 -1.56 0.00 0.00 34.95 30.02 1uit s ARG 11 CO 0.31 -0.33 -0.05 0.15 -0.81 0.00 0.00 175.30 174.57 1uit s LYS 12 N -1.67 2.20 -0.43 5.12 1.02 -1.26 -5.05 119.74 119.67 1uit s LYS 12 Ca 0.52 -1.40 -0.41 0.00 0.02 0.00 0.00 55.97 54.69 1uit s LYS 12 Cb -0.42 -3.04 -0.16 0.00 -0.52 0.00 0.00 37.83 33.69 1uit s LYS 12 CO 0.54 -0.65 2.11 -0.25 -0.92 0.00 0.00 175.35 176.19 1uit n ASP 13 N 4.47 1.36 -4.42 2.83 9.92 -1.26 -4.91 116.55 124.54 1uit n ASP 13 Ca -0.11 0.63 -0.30 0.00 -0.53 0.00 0.00 54.79 54.48 1uit n ASP 13 Cb 0.42 -1.04 -0.13 0.00 -0.64 0.00 0.00 41.12 39.73 1uit n ASP 13 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1uit s ARG 14 N 5.82 1.71 0.37 -1.24 0.52 -1.26 -5.01 118.95 119.86 1uit s ARG 14 Ca 1.14 -1.19 0.27 0.00 -0.52 0.00 0.00 55.73 55.44 1uit s ARG 14 Cb -1.24 -2.03 0.88 0.00 0.52 0.00 0.00 34.95 33.08 1uit s ARG 14 CO 0.60 0.49 1.78 -1.00 0.02 0.00 0.00 175.30 177.19 1uit h PRO 15 N 4.13 0.00 -0.84 3.54 0.13 -2.01 -3.27 132.00 133.69 1uit h PRO 15 Ca -0.49 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 64.85 1uit h PRO 15 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1uit h PRO 15 CO 0.43 0.00 0.07 -0.92 -0.23 0.00 0.00 178.00 177.36 1uit h TYR 16 N 0.00 0.06 -5.10 1.56 5.03 -1.98 -3.42 116.97 113.13 1uit h TYR 16 Ca 0.00 0.06 -0.38 0.00 2.58 0.00 0.00 58.73 60.99 1uit h TYR 16 Cb 0.65 0.11 -0.04 0.00 1.55 0.00 0.00 36.73 39.00 1uit h TYR 16 CO 0.00 -0.27 -0.20 1.33 -1.32 0.00 0.00 178.16 177.71 1uit n VAL 17 N -5.34 0.00 -2.56 1.81 0.24 -1.23 -5.05 118.33 106.20 1uit n VAL 17 Ca 0.18 -1.41 -0.41 0.00 -2.04 0.00 0.00 64.34 60.65 1uit n VAL 17 Cb 0.59 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 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 -3.39 3.27 0.48 7.34 2.02 -1.24 -4.92 118.70 122.26 1uit s GLU 18 Ca 0.16 -0.13 -0.15 0.00 0.02 0.00 0.00 54.97 54.88 1uit s GLU 18 Cb -0.01 -4.14 -0.12 0.00 0.10 0.00 0.00 34.13 29.95 1uit s GLU 18 CO 0.10 -2.04 -0.20 0.39 0.02 0.00 0.00 175.26 173.54 1uit n GLU 19 N 9.15 0.00 -2.30 1.61 1.02 -1.26 -4.09 120.64 124.77 1uit n GLU 19 Ca 0.04 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.81 1uit n GLU 19 Cb 0.49 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 31.05 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 -0.96 2.99 0.54 3.49 0.04 -1.26 -4.63 135.00 135.20 1uit s PRO 20 Ca 0.45 -0.22 -0.15 0.00 0.04 0.00 0.00 61.00 61.11 1uit s PRO 20 Cb -0.37 -4.70 -0.07 0.00 0.04 0.00 0.00 34.50 29.40 1uit s PRO 20 CO 0.57 -2.60 0.99 -0.98 0.04 0.00 0.00 177.00 175.02 1uit s ARG 21 N 6.20 3.85 -0.77 4.56 1.70 0.45 -4.78 118.95 130.16 1uit s ARG 21 Ca 0.54 0.88 -0.09 0.00 -0.47 0.00 0.00 55.73 56.59 1uit s ARG 21 Cb -0.07 -2.13 0.20 0.00 -0.57 0.00 0.00 34.95 32.38 1uit s ARG 21 CO 0.07 -0.33 0.67 -1.01 -1.08 0.00 0.00 175.30 173.62 1uit s HIS 22 N -2.75 3.66 -0.03 5.89 3.76 -1.26 -0.08 115.29 124.48 1uit s HIS 22 Ca 0.58 -2.33 -0.30 0.00 -0.15 0.00 0.00 55.06 52.85 1uit s HIS 22 Cb -0.10 -3.57 -0.05 0.00 1.11 0.00 0.00 32.58 29.97 1uit s HIS 22 CO 0.37 -0.92 1.42 0.08 -0.85 0.00 0.00 174.74 174.84 1uit s VAL 23 N -0.07 3.77 0.46 -0.90 1.01 0.51 -4.70 120.40 120.48 1uit s VAL 23 Ca 0.19 1.09 -0.09 0.00 0.00 0.00 0.00 61.98 63.17 1uit s VAL 23 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1uit s VAL 23 CO -0.07 -0.03 0.82 -0.54 0.00 0.00 0.00 175.10 175.27 1uit s LYS 24 N 2.83 3.69 -0.04 2.72 1.02 -1.26 0.12 119.74 128.82 1uit s LYS 24 Ca 0.64 0.44 0.01 0.00 0.02 0.00 0.00 55.97 57.08 1uit s LYS 24 Cb -0.30 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1uit s LYS 24 CO 0.25 -0.16 -0.05 0.08 -0.92 0.00 0.00 175.35 174.55 1uit s VAL 25 N -2.60 0.55 -0.89 3.17 1.01 0.10 -4.69 120.40 117.04 1uit s VAL 25 Ca 0.51 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.33 1uit s VAL 25 Cb -0.10 -0.55 0.29 0.00 0.00 0.00 0.00 36.38 36.01 1uit s VAL 25 CO 0.38 0.22 1.19 0.00 0.00 0.00 0.00 175.10 176.89 1uit n GLN 26 N 3.84 3.71 0.00 2.72 6.02 -1.26 -1.54 117.38 130.87 1uit n GLN 26 Ca -0.24 -4.62 0.00 0.00 -0.01 0.00 0.00 57.00 52.14 1uit n GLN 26 Cb 0.52 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.37 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 1.06 0.00 0.00 -1.09 4.76 0.18 -4.80 118.16 118.26 1uit n LYS 27 Ca 0.28 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 1uit n LYS 27 Cb 0.36 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uit n GLY 28 N -0.97 1.67 1.50 0.72 0.00 0.29 -3.34 105.19 105.05 1uit n GLY 28 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 3.60 -0.67 -3.80 1.61 7.64 -1.26 -4.67 113.62 116.07 1uit n SER 29 Ca 0.00 -1.39 -0.12 0.00 1.01 0.00 0.00 58.87 58.37 1uit n SER 29 Cb 0.00 0.27 -0.09 0.00 -1.01 0.00 0.00 64.21 63.39 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 0.04 0.67 0.81 1.43 8.01 -1.21 -5.17 118.70 123.27 1uit s GLU 30 Ca 0.03 -0.37 -0.12 0.00 0.01 0.00 0.00 54.97 54.52 1uit s GLU 30 Cb 0.13 0.29 0.08 0.00 -4.31 0.00 0.00 34.13 30.31 1uit s GLU 30 CO -0.04 -0.19 1.10 -1.25 0.01 0.00 0.00 175.26 174.90 1uit s PRO 31 N -1.80 2.00 0.01 0.39 0.04 -1.26 -4.67 135.00 129.71 1uit s PRO 31 Ca -0.11 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.30 1uit s PRO 31 Cb -0.04 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.46 1uit s PRO 31 CO 0.01 -1.67 1.02 1.25 0.04 0.00 0.00 177.00 177.64 1uit h LEU 32 N -1.13 -0.72 -2.55 -3.56 5.85 -1.94 -3.26 115.31 108.02 1uit h LEU 32 Ca -0.47 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1uit h LEU 32 Cb 1.27 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.49 1uit h LEU 32 CO 0.60 -0.36 0.00 0.61 -0.34 0.00 0.00 178.44 178.95 1uit n GLY 33 N -0.49 0.81 2.91 3.75 0.00 -1.26 -0.84 105.19 110.07 1uit n GLY 33 Ca -0.10 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.90 0.17 0.13 -0.61 -4.36 -1.26 0.33 121.20 112.70 1uit s ILE 34 Ca 0.00 -0.14 -0.03 0.00 -0.26 0.00 0.00 60.65 60.22 1uit s ILE 34 Cb 0.00 -0.16 -0.05 0.00 1.25 0.00 0.00 42.46 43.50 1uit s ILE 34 CO 0.00 0.02 0.34 -0.55 0.24 0.00 0.00 174.94 174.99 1uit s SER 35 N -0.12 6.45 0.03 4.36 0.15 0.15 -4.96 113.70 119.75 1uit s SER 35 Ca 0.00 0.49 -0.01 0.00 0.70 0.00 0.00 55.95 57.14 1uit s SER 35 Cb -0.01 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1uit s SER 35 CO -0.00 0.06 -0.02 0.27 1.20 0.00 0.00 173.24 174.75 1uit s ILE 36 N -1.66 0.15 0.03 6.45 -5.25 -1.26 -1.02 121.20 118.63 1uit s ILE 36 Ca 0.39 -1.20 0.02 0.00 -0.99 0.00 0.00 60.65 58.87 1uit s ILE 36 Cb -0.12 -0.68 -0.02 0.00 2.95 0.00 0.00 42.46 44.59 1uit s ILE 36 CO 0.26 -0.66 -0.07 0.68 -1.79 0.00 0.00 174.94 173.36 1uit s VAL 37 N -2.27 0.44 -0.02 8.37 -7.23 0.76 -4.78 120.40 115.67 1uit s VAL 37 Ca -0.08 -0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 1uit s VAL 37 Cb -0.04 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 1uit s VAL 37 CO -0.04 -0.35 0.17 -0.55 -0.31 0.00 0.00 175.10 174.02 1uit s SER 38 N -1.38 6.31 0.33 4.85 0.15 -1.26 -1.64 113.70 121.05 1uit s SER 38 Ca -0.10 0.34 0.05 0.00 0.70 0.00 0.00 55.95 56.94 1uit s SER 38 Cb -0.09 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.23 1uit s SER 38 CO 0.00 0.27 0.47 -0.83 1.20 0.00 0.00 173.24 174.36 1uit s GLY 39 N -1.86 1.50 -1.35 9.45 0.00 -1.22 -4.98 107.32 108.85 1uit s GLY 39 Ca 0.26 -1.34 -0.09 0.00 0.00 0.00 0.00 44.72 43.55 1uit s GLY 39 CO 0.17 -1.27 3.06 1.18 0.00 0.00 0.00 173.10 176.25 1uit n GLU 40 N -1.65 3.45 0.00 2.90 4.71 -1.26 -3.24 120.64 125.54 1uit n GLU 40 Ca -0.02 -2.04 0.00 0.00 -0.01 0.00 0.00 57.16 55.09 1uit n GLU 40 Cb 0.58 -2.66 0.00 0.00 -1.01 0.00 0.00 31.44 28.35 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1uit n LYS 41 N 3.34 0.00 0.00 3.49 4.81 -1.26 -4.69 118.16 123.86 1uit n LYS 41 Ca 0.72 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1uit n LYS 41 Cb 0.35 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.40 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uit n GLY 42 N -0.96 4.30 0.00 3.14 0.00 -1.20 -4.95 105.19 105.52 1uit n GLY 42 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.63 2.98 3.27 -0.02 0.00 -1.14 -4.68 105.19 103.97 1uit n GLY 43 Ca 0.00 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.46 2.25 -0.03 -0.61 -1.09 -1.26 -3.45 121.20 114.55 1uit s ILE 44 Ca 0.00 -0.97 0.04 0.00 -2.23 0.00 0.00 60.65 57.49 1uit s ILE 44 Cb 0.00 -1.86 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1uit s ILE 44 CO 0.00 0.56 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.81 1uit s TYR 45 N 0.11 1.49 0.05 3.97 1.51 -0.65 -2.21 117.35 121.62 1uit s TYR 45 Ca -0.11 -0.38 -0.31 0.00 -1.01 0.00 0.00 57.07 55.27 1uit s TYR 45 Cb -0.16 -1.00 -0.07 0.00 -0.11 0.00 0.00 41.96 40.62 1uit s TYR 45 CO 0.06 -0.11 1.47 0.08 -1.11 0.00 0.00 175.55 175.94 1uit s VAL 46 N -0.07 3.40 -0.37 0.71 1.01 -1.17 -0.17 120.40 123.74 1uit s VAL 46 Ca -0.00 0.87 0.18 0.00 0.00 0.00 0.00 61.98 63.03 1uit s VAL 46 Cb -0.09 -3.56 -0.24 0.00 0.00 0.00 0.00 36.38 32.48 1uit s VAL 46 CO 0.01 0.02 0.55 -0.24 0.00 0.00 0.00 175.10 175.43 1uit n SER 47 N 5.03 0.85 -3.56 3.32 2.88 -0.19 -2.46 113.62 119.48 1uit n SER 47 Ca 0.13 -0.39 -0.06 0.00 -1.33 0.00 0.00 58.87 57.22 1uit n SER 47 Cb 0.42 1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 65.34 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 -3.00 0.75 -0.27 -1.46 2.47 -1.22 -4.94 119.74 112.07 1uit s LYS 48 Ca -0.01 -0.31 -0.00 0.00 -1.56 0.00 0.00 55.97 54.09 1uit s LYS 48 Cb 0.12 0.32 0.15 0.00 -1.46 0.00 0.00 37.83 36.96 1uit s LYS 48 CO 0.74 -0.33 0.39 0.54 0.16 0.00 0.00 175.35 176.85 1uit s VAL 49 N -2.97 -0.62 0.36 4.02 0.11 -1.26 0.32 120.40 120.36 1uit s VAL 49 Ca 0.07 -0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 58.68 1uit s VAL 49 Cb -0.01 -0.92 -0.15 0.00 -1.53 0.00 0.00 36.38 33.78 1uit s VAL 49 CO -0.06 -0.22 0.39 0.41 -3.33 0.00 0.00 175.10 172.28 1uit n THR 50 N 5.36 1.39 -3.56 5.04 -1.04 0.15 -4.80 114.28 116.82 1uit n THR 50 Ca -0.01 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.12 1uit n THR 50 Cb 0.50 -0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 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 -1.43 5.22 0.00 12.58 1.01 -1.26 -3.49 120.40 133.03 1uit s VAL 51 Ca 0.62 0.65 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1uit s VAL 51 Cb -0.69 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1uit s VAL 51 CO 0.60 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.81 1uit n GLY 52 N 2.48 2.71 3.63 4.51 0.00 -1.26 -4.98 105.19 112.28 1uit n GLY 52 Ca -0.14 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1uit n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uit s SER 53 N 0.44 2.34 0.18 1.61 0.15 -1.26 -4.60 113.70 112.56 1uit s SER 53 Ca 0.00 1.40 -0.26 0.00 0.70 0.00 0.00 55.95 57.79 1uit s SER 53 Cb 0.00 -2.09 0.04 0.00 -1.71 0.00 0.00 66.02 62.26 1uit s SER 53 CO 0.00 -3.34 1.51 -0.38 1.20 0.00 0.00 173.24 172.23 1uit n ILE 54 N -4.33 -0.61 0.00 6.45 2.08 -1.22 -1.02 119.36 120.70 1uit n ILE 54 Ca 0.05 2.34 0.00 0.00 0.56 0.00 0.00 62.75 65.70 1uit n ILE 54 Cb 0.56 -2.96 0.00 0.00 -0.75 0.00 0.00 39.64 36.49 1uit n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1uit n ALA 55 N -3.34 0.00 -0.38 -1.39 0.00 -0.02 0.65 120.51 116.03 1uit n ALA 55 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 1uit n ALA 55 Cb 0.30 0.43 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.83 -0.09 -0.20 0.00 -0.00 -0.19 0.14 115.22 112.04 1uit n HIS 56 Ca 0.00 1.18 0.01 0.00 -0.00 0.00 0.00 57.72 58.91 1uit n HIS 56 Cb 0.00 -0.78 0.11 0.00 -0.00 0.00 0.00 29.99 29.32 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 0.24 -0.84 1.57 4.20 0.62 0.23 115.11 121.13 1uit h GLN 57 Ca 0.28 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.01 1uit h GLN 57 Cb 0.52 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 1uit h GLN 57 CO -0.93 0.16 0.55 0.00 -0.67 0.00 0.00 178.83 177.94 1uit h ALA 58 N 1.49 1.47 0.00 3.87 0.00 0.70 -3.46 119.26 123.33 1uit h ALA 58 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1uit h ALA 58 Cb 0.49 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uit h ALA 58 CO -0.42 0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1uit n GLY 59 N -1.41 1.33 3.77 0.00 0.00 0.10 -4.83 105.19 104.16 1uit n GLY 59 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 4.53 0.37 0.99 1.43 -1.16 -5.02 118.68 119.82 1uit s LEU 60 Ca 0.00 1.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.64 1uit s LEU 60 Cb 0.00 -3.20 -0.05 0.00 0.03 0.00 0.00 46.19 42.97 1uit s LEU 60 CO 0.00 0.15 0.06 -1.83 0.23 0.00 0.00 176.35 174.96 1uit s GLU 61 N -0.71 1.80 0.45 1.70 -1.05 -1.26 -4.68 118.70 114.95 1uit s GLU 61 Ca 0.35 -2.04 -0.17 0.00 -0.15 0.00 0.00 54.97 52.96 1uit s GLU 61 Cb -0.21 -0.95 -0.09 0.00 -0.44 0.00 0.00 34.13 32.43 1uit s GLU 61 CO 0.24 -0.26 0.93 -0.47 0.95 0.00 0.00 175.26 176.65 1uit s TYR 62 N -3.18 3.40 0.00 4.83 6.14 -1.26 -3.62 117.35 123.66 1uit s TYR 62 Ca 0.31 1.45 0.00 0.00 0.64 0.00 0.00 57.07 59.46 1uit s TYR 62 Cb 0.07 -2.75 0.00 0.00 0.42 0.00 0.00 41.96 39.70 1uit s TYR 62 CO 0.14 -0.21 0.00 0.41 0.64 0.00 0.00 175.55 176.54 1uit n GLY 63 N -1.11 2.79 3.63 8.97 0.00 -1.03 -4.98 105.19 113.46 1uit n GLY 63 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.72 6.43 -0.14 1.61 1.01 -1.24 -4.32 116.67 118.30 1uit s ASP 64 Ca 0.00 1.50 -0.29 0.00 0.71 0.00 0.00 52.55 54.47 1uit s ASP 64 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1uit s ASP 64 CO 0.00 -1.23 1.00 -1.58 0.21 0.00 0.00 175.17 173.57 1uit s GLN 65 N 4.59 4.37 -0.11 8.23 0.74 -1.26 -3.04 119.66 133.20 1uit s GLN 65 Ca 0.68 1.36 -0.25 0.00 0.05 0.00 0.00 55.36 57.20 1uit s GLN 65 Cb -0.23 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.29 1uit s GLN 65 CO 0.28 -0.39 0.78 -0.51 -0.55 0.00 0.00 175.29 174.90 1uit s LEU 66 N 2.32 4.26 -0.17 3.68 1.43 -0.94 -1.07 118.68 128.19 1uit s LEU 66 Ca 0.47 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.65 1uit s LEU 66 Cb -0.17 -3.19 -0.09 0.00 0.03 0.00 0.00 46.19 42.77 1uit s LEU 66 CO 0.15 -0.25 -0.06 0.18 0.23 0.00 0.00 176.35 176.59 1uit n LEU 67 N 4.44 1.84 -3.98 1.79 4.77 0.54 -3.91 117.00 122.48 1uit n LEU 67 Ca 0.02 0.54 -0.08 0.00 -0.03 0.00 0.00 56.01 56.46 1uit n LEU 67 Cb 0.50 -0.90 -0.09 0.00 -2.33 0.00 0.00 43.42 40.60 1uit n LEU 67 CO 0.48 -0.18 -0.26 -1.61 -1.33 0.00 0.00 177.39 174.48 1uit s GLU 68 N -2.32 0.61 -0.29 3.23 8.01 -1.21 0.13 118.70 126.85 1uit s GLU 68 Ca -0.21 -0.95 0.02 0.00 0.01 0.00 0.00 54.97 53.85 1uit s GLU 68 Cb 0.04 0.23 0.08 0.00 -4.31 0.00 0.00 34.13 30.17 1uit s GLU 68 CO 0.36 -0.14 -0.00 0.12 0.01 0.00 0.00 175.26 175.60 1uit s PHE 69 N -3.20 3.07 -1.75 1.61 2.19 0.30 -0.59 117.98 119.62 1uit s PHE 69 Ca 0.00 -2.41 0.00 0.00 0.33 0.00 0.00 56.93 54.86 1uit s PHE 69 Cb 0.02 -2.24 0.00 0.00 -1.31 0.00 0.00 43.02 39.49 1uit s PHE 69 CO -0.07 -0.89 0.00 -1.71 1.83 0.00 0.00 175.22 174.38 1uit n ASN 70 N 4.47 -5.52 0.00 6.13 2.85 0.22 -0.61 115.26 122.79 1uit n ASN 70 Ca -0.04 0.41 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1uit n ASN 70 Cb 0.42 -4.53 0.00 0.00 1.24 0.00 0.00 39.78 36.92 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 -0.11 1.07 3.73 8.20 0.00 -1.26 -4.92 105.19 111.90 1uit n GLY 71 Ca -0.16 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1uit n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1uit n ILE 72 N 0.00 0.72 -2.39 -0.61 5.41 0.22 -4.91 119.36 117.80 1uit n ILE 72 Ca 0.00 -0.18 -0.42 0.00 1.00 0.00 0.00 62.75 63.15 1uit n ILE 72 Cb 0.00 -1.92 -0.03 0.00 -0.71 0.00 0.00 39.64 36.98 1uit n ILE 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1uit s ASN 73 N 0.67 7.02 -0.09 4.38 2.47 -1.26 0.11 114.94 128.23 1uit s ASN 73 Ca 0.68 1.96 0.05 0.00 0.42 0.00 0.00 52.86 55.97 1uit s ASN 73 Cb -0.51 -2.57 -0.09 0.00 -1.45 0.00 0.00 41.25 36.63 1uit s ASN 73 CO 0.44 -0.57 -0.01 0.18 -3.72 0.00 0.00 177.10 173.42 1uit n LEU 74 N 4.71 0.96 -0.31 3.21 4.77 0.35 -4.40 117.00 126.28 1uit n LEU 74 Ca 0.11 -0.02 0.35 0.00 -0.03 0.00 0.00 56.01 56.41 1uit n LEU 74 Cb 0.46 0.02 0.64 0.00 -2.33 0.00 0.00 43.42 42.21 1uit n LEU 74 CO 0.56 0.36 1.32 0.03 -1.33 0.00 0.00 177.39 178.32 1uit h ARG 75 N 0.00 0.00 -1.37 3.23 3.08 -0.77 0.49 114.38 119.04 1uit h ARG 75 Ca -0.23 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.34 1uit h ARG 75 Cb 1.46 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.10 1uit h ARG 75 CO -0.00 0.00 -0.97 0.43 -1.07 0.00 0.00 179.97 178.36 1uit n SER 76 N -3.65 2.95 -4.48 7.04 7.64 -1.26 -2.87 113.62 118.99 1uit n SER 76 Ca 0.27 -3.21 -0.25 0.00 1.01 0.00 0.00 58.87 56.68 1uit n SER 76 Cb 1.46 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 64.05 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uit s ALA 77 N -3.27 2.72 0.23 -0.43 0.00 0.17 -5.01 121.76 116.17 1uit s ALA 77 Ca 0.38 -1.72 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1uit s ALA 77 Cb 0.42 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1uit s ALA 77 CO -0.08 0.36 0.46 0.95 0.00 0.00 0.00 175.76 177.45 1uit s THR 78 N -2.07 5.11 0.62 0.00 -4.23 -1.26 -4.48 115.64 109.33 1uit s THR 78 Ca 0.26 -0.09 0.28 0.00 -1.18 0.00 0.00 61.69 60.96 1uit s THR 78 Cb -0.07 -3.71 0.34 0.00 1.34 0.00 0.00 72.50 70.41 1uit s THR 78 CO 0.13 -0.19 1.84 1.05 -0.54 0.00 0.00 174.62 176.92 1uit h GLU 79 N 2.05 0.00 0.00 3.99 4.11 -1.92 0.69 114.58 123.50 1uit h GLU 79 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1uit h GLU 79 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1uit h GLU 79 CO 0.68 0.00 -0.14 1.96 0.07 0.00 0.00 179.01 181.58 1uit h GLN 80 N 0.00 0.00 -0.39 1.06 4.20 -1.96 -2.69 115.11 115.34 1uit h GLN 80 Ca 0.15 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.91 1uit h GLN 80 Cb 1.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1uit h GLN 80 CO -0.00 0.26 0.26 1.96 -0.67 0.00 0.00 178.83 180.64 1uit h GLN 81 N -1.00 0.32 -0.25 1.46 7.50 -1.61 -0.94 115.11 120.58 1uit h GLN 81 Ca -0.02 -0.02 -0.08 0.00 0.50 0.00 0.00 58.65 59.03 1uit h GLN 81 Cb 0.35 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.80 1uit h GLN 81 CO -0.01 0.21 -0.16 0.00 -1.50 0.00 0.00 178.83 177.37 1uit h ALA 82 N 1.79 0.36 0.00 3.87 0.00 0.21 0.24 119.26 125.73 1uit h ALA 82 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1uit h ALA 82 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1uit h ALA 82 CO -0.04 0.26 0.00 0.54 0.00 0.00 0.00 179.25 180.02 1uit n ARG 83 N -4.43 0.08 -0.12 0.00 1.74 -0.46 -1.68 116.66 111.80 1uit n ARG 83 Ca -0.04 0.24 -0.20 0.00 -0.77 0.00 0.00 57.85 57.07 1uit n ARG 83 Cb 0.38 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.25 1uit n ARG 83 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1uit n LEU 84 N -1.40 1.94 -0.05 0.55 -0.00 -0.63 -3.74 117.00 113.67 1uit n LEU 84 Ca 0.04 0.36 -0.08 0.00 -0.00 0.00 0.00 56.01 56.32 1uit n LEU 84 Cb 0.12 -0.80 -0.02 0.00 -0.00 0.00 0.00 43.42 42.72 1uit n LEU 84 CO 0.10 0.19 0.69 0.40 -0.00 0.00 0.00 177.39 178.78 1uit h ILE 85 N -1.00 0.39 0.00 1.47 2.04 -0.42 0.67 117.51 120.66 1uit h ILE 85 Ca -0.39 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1uit h ILE 85 Cb 1.31 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1uit h ILE 85 CO -0.23 0.00 -0.01 0.16 0.00 0.00 0.00 178.15 178.07 1uit h ILE 86 N -0.26 0.35 -0.28 -0.67 3.07 -1.56 0.37 117.51 118.53 1uit h ILE 86 Ca 0.13 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.51 1uit h ILE 86 Cb 0.46 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 1uit h ILE 86 CO -0.38 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 177.33 1uit n GLY 87 N -1.19 0.33 1.38 0.16 0.00 0.23 -4.54 105.19 101.55 1uit n GLY 87 Ca -0.03 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 0.33 -2.84 -3.85 1.61 1.13 0.13 -5.01 117.38 108.88 1uit n GLN 88 Ca 0.10 -0.65 -0.26 0.00 -1.94 0.00 0.00 57.00 54.25 1uit n GLN 88 Cb 0.24 -0.77 -0.17 0.00 0.11 0.00 0.00 30.24 29.65 1uit n GLN 88 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1uit s GLN 89 N -3.93 1.20 -0.30 -1.09 1.11 -1.26 -4.97 119.66 110.42 1uit s GLN 89 Ca 0.29 -0.18 -0.15 0.00 0.01 0.00 0.00 55.36 55.32 1uit s GLN 89 Cb -0.04 -1.47 0.16 0.00 -1.01 0.00 0.00 33.01 30.65 1uit s GLN 89 CO 0.24 -0.31 1.00 0.00 0.01 0.00 0.00 175.29 176.23 1uit h ASP 91 N 6.96 -0.86 -3.24 0.00 5.19 -1.95 -3.37 116.42 119.15 1uit h ASP 91 Ca -0.20 0.22 -0.57 0.00 -0.62 0.00 0.00 57.03 55.86 1uit h ASP 91 Cb 1.14 0.50 -0.37 0.00 0.18 0.00 0.00 39.33 40.78 1uit h ASP 91 CO 0.12 -0.26 -0.81 -0.89 -3.12 0.00 0.00 179.24 174.28 1uit s THR 92 N -6.14 1.34 0.00 0.35 2.01 -1.26 0.10 115.64 112.04 1uit s THR 92 Ca -0.14 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.29 1uit s THR 92 Cb 0.19 -1.37 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1uit s THR 92 CO 0.73 0.31 -0.15 -0.51 -0.69 0.00 0.00 174.62 174.30 1uit s ILE 93 N 1.56 1.22 0.17 1.82 -1.16 -0.59 -4.99 121.20 119.23 1uit s ILE 93 Ca 0.03 -0.76 0.00 0.00 -0.51 0.00 0.00 60.65 59.42 1uit s ILE 93 Cb -0.14 -1.03 -0.04 0.00 0.61 0.00 0.00 42.46 41.86 1uit s ILE 93 CO -0.09 0.26 0.33 -0.89 -2.81 0.00 0.00 174.94 171.75 1uit s THR 94 N -0.48 5.27 0.01 4.00 2.01 -1.26 0.01 115.64 125.19 1uit s THR 94 Ca 0.05 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1uit s THR 94 Cb -0.06 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1uit s THR 94 CO -0.00 -0.11 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.12 1uit s ILE 95 N -1.78 0.57 -0.36 1.82 1.01 0.32 0.70 121.20 123.49 1uit s ILE 95 Ca 0.37 -0.57 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1uit s ILE 95 Cb -0.11 -0.53 0.06 0.00 0.01 0.00 0.00 42.46 41.89 1uit s ILE 95 CO 0.29 -0.02 0.14 -0.22 0.00 0.00 0.00 174.94 175.12 1uit s LEU 96 N -0.66 4.57 0.33 2.97 0.20 0.24 0.19 118.68 126.53 1uit s LEU 96 Ca -0.01 -1.38 0.08 0.00 0.69 0.00 0.00 54.13 53.51 1uit s LEU 96 Cb -0.05 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1uit s LEU 96 CO 0.00 -0.39 0.13 0.00 -0.29 0.00 0.00 176.35 175.80 1uit s ALA 97 N 1.34 3.48 -0.49 5.97 0.00 0.88 0.20 121.76 133.14 1uit s ALA 97 Ca 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 51.96 50.22 1uit s ALA 97 Cb -0.21 -0.75 0.20 0.00 0.00 0.00 0.00 23.12 22.36 1uit s ALA 97 CO 0.01 0.05 0.67 0.94 0.00 0.00 0.00 175.76 177.44 1uit n GLN 98 N -1.13 0.52 -1.64 0.00 7.27 -0.23 -0.41 117.38 121.75 1uit n GLN 98 Ca -0.03 -2.25 -0.57 0.00 0.07 0.00 0.00 57.00 54.22 1uit n GLN 98 Cb 0.61 -1.50 -0.07 0.00 2.41 0.00 0.00 30.24 31.69 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 2.68 1.63 -4.03 3.69 4.19 -1.26 -4.02 117.16 120.04 1uit n TYR 99 Ca 0.19 0.71 -0.31 0.00 3.31 0.00 0.00 57.90 61.80 1uit n TYR 99 Cb 0.55 -2.34 -0.16 0.00 0.49 0.00 0.00 39.34 37.89 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 1.82 3.48 -0.53 2.98 -0.87 -1.26 -3.68 114.94 116.89 1uit s ASN 100 Ca 0.93 -0.91 -0.06 0.00 -1.57 0.00 0.00 52.86 51.25 1uit s ASN 100 Cb -1.09 -1.32 -0.14 0.00 -0.02 0.00 0.00 41.25 38.67 1uit s ASN 100 CO 0.59 -0.13 2.69 -0.81 -2.57 0.00 0.00 177.10 176.87 1uit n PRO 101 N 4.64 2.06 -2.69 -0.60 -0.04 -1.26 -3.69 135.00 133.41 1uit n PRO 101 Ca -0.16 -1.19 -0.06 0.00 -0.04 0.00 0.00 63.50 62.05 1uit n PRO 101 Cb 0.47 -2.19 0.11 0.00 -0.04 0.00 0.00 33.50 31.85 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 3.19 -1.95 -3.72 0.54 -0.00 -1.26 -5.12 115.22 106.90 1uit n HIS 102 Ca 0.44 -1.99 -0.13 0.00 0.46 0.00 0.00 57.72 56.49 1uit n HIS 102 Cb 0.47 1.35 -0.09 0.00 -0.12 0.00 0.00 29.99 31.59 1uit n HIS 102 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1uit s VAL 103 N -0.25 0.01 -0.38 3.57 0.11 -1.24 -5.10 120.40 117.10 1uit s VAL 103 Ca 0.21 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.17 1uit s VAL 103 Cb 0.41 -0.64 0.20 0.00 -1.53 0.00 0.00 36.38 34.82 1uit s VAL 103 CO -0.08 -0.03 0.99 -2.28 -3.33 0.00 0.00 175.10 170.37 1uit s HIS 104 N -0.01 -0.66 -0.02 1.54 2.46 -1.26 -5.03 115.29 112.31 1uit s HIS 104 Ca -0.02 -0.17 0.01 0.00 0.47 0.00 0.00 55.06 55.34 1uit s HIS 104 Cb -0.03 0.13 -0.04 0.00 -0.13 0.00 0.00 32.58 32.51 1uit s HIS 104 CO 0.01 -0.51 0.01 -0.65 -2.47 0.00 0.00 174.74 171.13 1uit s GLN 105 N 1.12 2.84 0.07 2.88 -0.21 -1.26 -4.90 119.66 120.19 1uit s GLN 105 Ca 0.23 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 55.05 1uit s GLN 105 Cb 0.08 -2.70 0.00 0.00 1.00 0.00 0.00 33.01 31.39 1uit s GLN 105 CO -0.10 0.64 0.00 1.28 -2.12 0.00 0.00 175.29 174.99 1uit n LEU 106 N 1.52 -6.48 0.36 2.90 4.77 -1.26 -4.92 117.00 113.90 1uit n LEU 106 Ca -0.15 2.94 -0.15 0.00 -0.03 0.00 0.00 56.01 58.62 1uit n LEU 106 Cb 0.53 -3.21 -0.07 0.00 -2.33 0.00 0.00 43.42 38.33 1uit n LEU 106 CO 0.33 -2.62 0.38 0.28 -1.33 0.00 0.00 177.39 174.43 1uit h SER 107 N 4.25 -0.81 -2.45 -1.43 0.02 -2.05 -3.45 113.55 107.62 1uit h SER 107 Ca 0.00 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1uit h SER 107 Cb 0.00 0.21 -0.24 0.00 0.14 0.00 0.00 62.40 62.51 1uit h SER 107 CO 0.00 -0.43 -0.25 -0.44 -1.14 0.00 0.00 176.83 174.56 1uit s SER 108 N -4.46 -0.62 -0.05 3.07 0.01 -1.26 -5.16 113.70 105.23 1uit s SER 108 Ca -0.14 1.21 -0.01 0.00 1.31 0.00 0.00 55.95 58.32 1uit s SER 108 Cb 0.01 1.61 -0.04 0.00 0.21 0.00 0.00 66.02 67.82 1uit s SER 108 CO 0.42 -0.22 0.04 -2.28 0.41 0.00 0.00 173.24 171.61 1uit s HIS 109 N 2.52 3.23 -0.28 2.43 5.04 -1.26 -5.10 115.29 121.87 1uit s HIS 109 Ca -0.04 0.21 -0.24 0.00 -1.54 0.00 0.00 55.06 53.45 1uit s HIS 109 Cb -0.11 -1.77 0.11 0.00 0.04 0.00 0.00 32.58 30.85 1uit s HIS 109 CO -0.15 0.52 0.96 -1.54 -2.34 0.00 0.00 174.74 172.19 1uit s SER 110 N -1.29 -0.52 -0.14 9.88 1.04 -1.26 -5.15 113.70 116.26 1uit s SER 110 Ca 0.18 0.99 -0.01 0.00 0.48 0.00 0.00 55.95 57.59 1uit s SER 110 Cb -0.12 1.03 0.04 0.00 0.10 0.00 0.00 66.02 67.07 1uit s SER 110 CO 0.08 -0.17 -0.04 -0.60 0.98 0.00 0.00 173.24 173.48 1uit s ARG 111 N 0.37 1.28 0.22 4.02 6.06 -1.26 -5.13 118.95 124.51 1uit s ARG 111 Ca 0.01 -0.34 0.06 0.00 -2.50 0.00 0.00 55.73 52.96 1uit s ARG 111 Cb -0.05 -1.74 -0.04 0.00 0.06 0.00 0.00 34.95 33.18 1uit s ARG 111 CO -0.06 -0.38 0.22 0.45 -2.50 0.00 0.00 175.30 173.03 1uit s SER 112 N 1.72 5.75 0.00 -2.12 0.15 -1.26 -5.01 113.70 112.94 1uit s SER 112 Ca 0.02 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1uit s SER 112 Cb -0.14 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1uit s SER 112 CO -0.08 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1uit n GLY 113 N -0.99 2.29 3.05 9.45 0.00 -1.26 -4.98 105.19 112.75 1uit n GLY 113 Ca -0.08 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1uit n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uit n PRO 114 N 0.11 2.18 -2.26 1.61 -0.04 -1.26 -4.94 135.00 130.40 1uit n PRO 114 Ca 0.00 -2.32 -0.35 0.00 -0.04 0.00 0.00 63.50 60.78 1uit n PRO 114 Cb 0.00 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.27 1uit n PRO 114 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1uit s SER 115 N 4.38 5.77 -1.06 3.54 0.01 -1.26 -4.88 113.70 120.20 1uit s SER 115 Ca 0.54 2.19 -0.23 0.00 1.31 0.00 0.00 55.95 59.75 1uit s SER 115 Cb 0.12 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.71 1uit s SER 115 CO 0.04 -1.18 1.90 -0.55 0.41 0.00 0.00 173.24 173.86 1uit s SER 116 N -1.73 5.26 0.00 2.44 0.15 -1.26 -5.30 113.70 113.26 1uit s SER 116 Ca 0.72 -1.25 0.29 0.00 0.70 0.00 0.00 55.95 56.41 1uit s SER 116 Cb -0.24 -2.57 1.74 0.00 -1.71 0.00 0.00 66.02 63.24 1uit s SER 116 CO 0.27 -2.74 2.08 0.61 1.20 0.00 0.00 173.24 174.66