#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 -0.04 0.28 1.61 0.01 -1.26 -5.17 113.70 109.12 1uit s SER 2 Ca 0.00 -0.05 0.09 0.00 1.31 0.00 0.00 55.95 57.30 1uit s SER 2 Cb 0.00 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 1uit s SER 2 CO 0.00 -0.00 0.07 -0.55 0.41 0.00 0.00 173.24 173.17 1uit s SER 3 N 1.08 4.79 0.17 2.44 0.15 -1.26 -5.14 113.70 115.94 1uit s SER 3 Ca 0.22 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1uit s SER 3 Cb 0.15 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 1uit s SER 3 CO -0.12 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1uit n GLY 4 N -1.01 -1.11 2.88 9.45 0.00 -1.26 -5.09 105.19 109.05 1uit n GLY 4 Ca -0.06 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.22 1uit n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uit s SER 5 N -1.11 0.79 0.50 1.61 0.15 -1.26 -5.14 113.70 109.23 1uit s SER 5 Ca 0.00 0.22 -0.22 0.00 0.70 0.00 0.00 55.95 56.65 1uit s SER 5 Cb 0.00 0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 1uit s SER 5 CO 0.00 -0.28 1.25 -0.94 1.20 0.00 0.00 173.24 174.47 1uit s SER 6 N 2.38 5.78 0.00 5.45 1.04 -1.26 -4.97 113.70 122.13 1uit s SER 6 Ca 0.05 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.98 1uit s SER 6 Cb -0.14 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1uit s SER 6 CO -0.10 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.53 1uit n GLY 7 N 0.56 3.14 0.00 7.32 0.00 -1.26 -5.10 105.19 109.85 1uit n GLY 7 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1uit n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uit n GLY 8 N 0.00 0.73 3.66 -0.02 0.00 -1.26 -5.10 105.19 103.21 1uit n GLY 8 Ca 0.00 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 1uit n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1uit s GLU 9 N -1.33 4.14 0.46 1.61 2.12 -1.26 -5.06 118.70 119.39 1uit s GLU 9 Ca 0.00 0.11 -0.23 0.00 0.36 0.00 0.00 54.97 55.22 1uit s GLU 9 Cb 0.00 -3.55 -0.07 0.00 0.26 0.00 0.00 34.13 30.77 1uit s GLU 9 CO 0.00 -0.04 1.14 1.03 -0.54 0.00 0.00 175.26 176.85 1uit s ARG 10 N 1.33 3.77 0.12 4.30 0.52 -1.26 -4.92 118.95 122.81 1uit s ARG 10 Ca 0.17 1.72 -0.35 0.00 -0.52 0.00 0.00 55.73 56.74 1uit s ARG 10 Cb -0.15 -2.38 -0.15 0.00 0.52 0.00 0.00 34.95 32.80 1uit s ARG 10 CO 0.07 -0.53 1.48 2.89 0.02 0.00 0.00 175.30 179.23 1uit n ARG 11 N -0.53 1.71 -3.65 3.54 0.00 -1.26 -4.93 116.66 111.54 1uit n ARG 11 Ca 0.07 0.62 -0.02 0.00 -0.00 0.00 0.00 57.85 58.52 1uit n ARG 11 Cb 0.49 -2.33 -0.03 0.00 -0.00 0.00 0.00 32.46 30.58 1uit n ARG 11 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1uit s LYS 12 N 0.76 0.03 -0.04 2.89 1.02 -1.26 -5.17 119.74 117.96 1uit s LYS 12 Ca 0.81 0.00 -0.02 0.00 0.02 0.00 0.00 55.97 56.78 1uit s LYS 12 Cb -0.80 0.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.54 1uit s LYS 12 CO 0.42 -0.01 0.09 0.16 -0.92 0.00 0.00 175.35 175.09 1uit s ASP 13 N -1.28 -0.07 0.68 2.83 -4.77 -1.26 -5.06 116.67 107.74 1uit s ASP 13 Ca 0.10 0.19 -0.16 0.00 -3.30 0.00 0.00 52.55 49.38 1uit s ASP 13 Cb -0.01 0.13 0.01 0.00 -1.09 0.00 0.00 42.92 41.97 1uit s ASP 13 CO -0.07 -0.08 1.18 -0.13 0.70 0.00 0.00 175.17 176.77 1uit s ARG 14 N 0.56 2.49 0.49 2.11 0.52 -1.26 -4.92 118.95 118.94 1uit s ARG 14 Ca -0.04 1.68 0.28 0.00 -0.52 0.00 0.00 55.73 57.13 1uit s ARG 14 Cb -0.06 -1.88 0.85 0.00 0.52 0.00 0.00 34.95 34.37 1uit s ARG 14 CO -0.02 -1.55 1.79 -1.00 0.02 0.00 0.00 175.30 174.54 1uit h PRO 15 N 0.05 0.00 0.00 3.54 0.13 -2.04 -3.37 132.00 130.31 1uit h PRO 15 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1uit h PRO 15 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1uit h PRO 15 CO 0.52 0.02 0.00 0.66 -0.23 0.00 0.00 178.00 178.97 1uit n TYR 16 N -3.11 0.00 -3.92 1.56 4.02 -1.26 -4.88 117.16 109.57 1uit n TYR 16 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.81 1uit n TYR 16 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.64 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1uit s VAL 17 N -0.59 0.09 -0.54 -0.72 0.11 -1.26 -5.08 120.40 112.42 1uit s VAL 17 Ca 0.00 -0.77 -0.35 0.00 -2.93 0.00 0.00 61.98 57.94 1uit s VAL 17 Cb 0.00 -0.35 -0.15 0.00 -1.53 0.00 0.00 36.38 34.35 1uit s VAL 17 CO 0.00 -0.42 2.32 -0.62 -3.33 0.00 0.00 175.10 173.05 1uit n GLU 18 N 1.56 0.61 -0.99 1.54 1.02 -1.26 -4.72 120.64 118.41 1uit n GLU 18 Ca -0.23 0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.68 1uit n GLU 18 Cb 0.55 -2.19 0.05 0.00 -0.02 0.00 0.00 31.44 29.83 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 8.23 -0.02 -2.00 3.49 -0.58 -1.26 -4.27 120.64 124.23 1uit n GLU 19 Ca 0.49 -0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.90 1uit n GLU 19 Cb 0.17 -1.07 0.01 0.00 -0.57 0.00 0.00 31.44 29.99 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1uit s PRO 20 N -2.10 3.32 0.12 3.49 0.04 -1.26 -4.60 135.00 134.01 1uit s PRO 20 Ca 0.42 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.63 1uit s PRO 20 Cb -0.19 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1uit s PRO 20 CO 0.81 -0.80 -0.10 -0.98 0.04 0.00 0.00 177.00 175.97 1uit s ARG 21 N -4.25 0.94 -0.37 4.56 1.70 0.11 -4.97 118.95 116.67 1uit s ARG 21 Ca 0.62 -1.28 -0.02 0.00 -0.47 0.00 0.00 55.73 54.58 1uit s ARG 21 Cb -0.15 -0.59 0.09 0.00 -0.57 0.00 0.00 34.95 33.73 1uit s ARG 21 CO 0.39 0.09 0.13 -1.01 -1.08 0.00 0.00 175.30 173.82 1uit s HIS 22 N -2.77 3.52 -0.22 5.89 3.76 -1.26 -1.25 115.29 122.96 1uit s HIS 22 Ca 0.10 -2.34 -0.13 0.00 -0.15 0.00 0.00 55.06 52.55 1uit s HIS 22 Cb -0.01 -2.88 -0.05 0.00 1.11 0.00 0.00 32.58 30.76 1uit s HIS 22 CO 0.00 -0.92 0.26 0.08 -0.85 0.00 0.00 174.74 173.31 1uit s VAL 23 N 1.14 5.30 0.47 -0.90 1.01 0.16 -4.86 120.40 122.71 1uit s VAL 23 Ca 0.05 0.40 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 1uit s VAL 23 Cb -0.21 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1uit s VAL 23 CO -0.04 0.31 0.80 -0.54 0.00 0.00 0.00 175.10 175.63 1uit s LYS 24 N 1.13 3.62 -0.03 2.72 -0.14 -1.26 0.10 119.74 125.87 1uit s LYS 24 Ca 0.12 0.32 0.02 0.00 -1.36 0.00 0.00 55.97 55.08 1uit s LYS 24 Cb -0.14 -2.36 0.01 0.00 -1.68 0.00 0.00 37.83 33.66 1uit s LYS 24 CO 0.06 -0.18 -0.07 0.08 -0.76 0.00 0.00 175.35 174.47 1uit s VAL 25 N -2.66 0.69 -0.88 3.17 1.01 0.39 -4.65 120.40 117.47 1uit s VAL 25 Ca 0.49 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1uit s VAL 25 Cb -0.10 -0.63 0.29 0.00 0.00 0.00 0.00 36.38 35.93 1uit s VAL 25 CO 0.42 0.23 1.22 0.00 0.00 0.00 0.00 175.10 176.96 1uit n GLN 26 N 3.48 3.80 0.00 2.72 6.02 -1.26 -1.79 117.38 130.35 1uit n GLN 26 Ca -0.20 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.15 1uit n GLN 26 Cb 0.54 -2.39 0.00 0.00 1.02 0.00 0.00 30.24 29.40 1uit n GLN 26 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1uit n LYS 27 N 0.87 0.00 0.00 -1.09 3.00 0.36 -4.87 118.16 116.43 1uit n LYS 27 Ca 0.30 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.66 1uit n LYS 27 Cb 0.36 -0.87 0.00 0.00 0.00 0.00 0.00 35.03 34.52 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uit n GLY 28 N -0.42 2.05 2.10 3.14 0.00 0.38 -4.01 105.19 108.42 1uit n GLY 28 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 3.80 -1.11 -4.05 1.61 7.64 -1.26 -4.61 113.62 115.64 1uit n SER 29 Ca 0.00 -1.91 -0.08 0.00 1.01 0.00 0.00 58.87 57.89 1uit n SER 29 Cb 0.00 0.49 -0.09 0.00 -1.01 0.00 0.00 64.21 63.60 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 0.08 0.75 0.91 1.43 0.41 -1.26 -5.17 118.70 115.86 1uit s GLU 30 Ca 0.06 -1.21 -0.12 0.00 -0.41 0.00 0.00 54.97 53.29 1uit s GLU 30 Cb 0.28 0.25 0.14 0.00 -1.78 0.00 0.00 34.13 33.02 1uit s GLU 30 CO -0.08 -0.19 1.14 -1.25 -0.49 0.00 0.00 175.26 174.38 1uit s PRO 31 N -3.94 1.17 -0.11 0.39 0.04 -1.26 -4.85 135.00 126.44 1uit s PRO 31 Ca 0.11 0.30 -0.15 0.00 0.04 0.00 0.00 61.00 61.29 1uit s PRO 31 Cb 0.07 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.64 1uit s PRO 31 CO -0.07 -2.18 0.44 1.25 0.04 0.00 0.00 177.00 176.47 1uit h LEU 32 N -1.49 -0.03 -2.95 -3.56 5.85 -1.94 -3.32 115.31 107.87 1uit h LEU 32 Ca -0.50 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 57.75 1uit h LEU 32 Cb 1.33 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1uit h LEU 32 CO 0.62 0.69 -0.01 0.61 -0.34 0.00 0.00 178.44 180.01 1uit n GLY 33 N 1.55 -0.16 3.35 3.75 0.00 -1.26 -1.85 105.19 110.57 1uit n GLY 33 Ca -0.05 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 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 0.04 0.09 -0.61 -4.36 -1.26 -0.60 121.20 111.48 1uit s ILE 34 Ca 0.01 -0.29 0.03 0.00 -0.26 0.00 0.00 60.65 60.14 1uit s ILE 34 Cb -0.00 -0.80 -0.04 0.00 1.25 0.00 0.00 42.46 42.87 1uit s ILE 34 CO 0.06 -0.16 0.08 -0.55 0.24 0.00 0.00 174.94 174.60 1uit s SER 35 N -1.37 5.49 0.03 4.36 0.15 0.17 -4.95 113.70 117.57 1uit s SER 35 Ca -0.11 -0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.48 1uit s SER 35 Cb -0.03 -1.46 -0.02 0.00 -1.71 0.00 0.00 66.02 62.80 1uit s SER 35 CO 0.05 0.17 0.01 0.27 1.20 0.00 0.00 173.24 174.94 1uit s ILE 36 N -1.40 0.14 0.02 6.45 -5.25 -1.26 -0.24 121.20 119.65 1uit s ILE 36 Ca 0.29 -1.14 0.00 0.00 -0.99 0.00 0.00 60.65 58.81 1uit s ILE 36 Cb -0.12 -0.71 -0.02 0.00 2.95 0.00 0.00 42.46 44.56 1uit s ILE 36 CO 0.22 -0.63 -0.03 0.68 -1.79 0.00 0.00 174.94 173.39 1uit s VAL 37 N -2.29 0.12 0.01 8.37 -7.23 0.62 -4.76 120.40 115.25 1uit s VAL 37 Ca -0.08 -0.85 -0.01 0.00 -1.81 0.00 0.00 61.98 59.23 1uit s VAL 37 Cb -0.04 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.60 1uit s VAL 37 CO -0.04 -0.46 0.14 -0.55 -0.31 0.00 0.00 175.10 173.89 1uit s SER 38 N -1.36 6.05 0.54 4.85 0.15 -1.26 -1.38 113.70 121.29 1uit s SER 38 Ca -0.15 0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.79 1uit s SER 38 Cb -0.09 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.44 1uit s SER 38 CO -0.01 0.24 0.40 -0.83 1.20 0.00 0.00 173.24 174.24 1uit s GLY 39 N -2.03 2.36 -0.70 9.45 0.00 -1.21 -5.00 107.32 110.20 1uit s GLY 39 Ca 0.27 -1.30 -0.25 0.00 0.00 0.00 0.00 44.72 43.44 1uit s GLY 39 CO 0.19 -1.93 2.45 1.18 0.00 0.00 0.00 173.10 174.99 1uit n GLU 40 N -1.75 0.64 -4.46 2.90 -0.58 -1.26 -2.14 120.64 113.99 1uit n GLU 40 Ca -0.01 -0.21 -0.41 0.00 -0.42 0.00 0.00 57.16 56.11 1uit n GLU 40 Cb 0.64 -2.94 -0.07 0.00 -0.57 0.00 0.00 31.44 28.50 1uit n GLU 40 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1uit n LYS 41 N 8.56 -1.38 0.00 3.49 4.76 -1.26 -4.87 118.16 127.46 1uit n LYS 41 Ca 0.47 0.20 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1uit n LYS 41 Cb 0.39 -4.82 0.00 0.00 -1.84 0.00 0.00 35.03 28.76 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uit n GLY 42 N -1.16 3.38 0.00 0.72 0.00 -0.91 -5.10 105.19 102.11 1uit n GLY 42 Ca 0.11 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 2.67 3.36 -0.02 0.00 -1.26 -4.62 105.19 110.32 1uit n GLY 43 Ca 0.00 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.78 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 2.56 2.47 0.03 -0.61 -1.09 -1.26 -3.28 121.20 120.01 1uit s ILE 44 Ca 0.00 -0.93 0.06 0.00 -2.23 0.00 0.00 60.65 57.55 1uit s ILE 44 Cb 0.00 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.94 1uit s ILE 44 CO 0.00 0.58 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.80 1uit s TYR 45 N -0.42 1.53 0.10 3.97 1.51 -0.48 -1.76 117.35 121.80 1uit s TYR 45 Ca 0.04 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.45 1uit s TYR 45 Cb -0.12 -0.93 -0.07 0.00 -0.11 0.00 0.00 41.96 40.73 1uit s TYR 45 CO 0.02 0.04 1.35 0.08 -1.11 0.00 0.00 175.55 175.93 1uit s VAL 46 N -0.71 3.44 -0.40 0.71 1.01 -1.25 -0.27 120.40 122.92 1uit s VAL 46 Ca 0.05 1.03 0.18 0.00 0.00 0.00 0.00 61.98 63.24 1uit s VAL 46 Cb -0.08 -3.66 -0.24 0.00 0.00 0.00 0.00 36.38 32.40 1uit s VAL 46 CO 0.01 0.08 0.56 -0.24 0.00 0.00 0.00 175.10 175.51 1uit n SER 47 N 3.96 0.84 0.00 3.32 2.88 0.66 -3.25 113.62 122.03 1uit n SER 47 Ca 0.11 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1uit n SER 47 Cb 0.43 1.44 0.00 0.00 -0.75 0.00 0.00 64.21 65.33 1uit n SER 47 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1uit n LYS 48 N -1.80 0.00 -3.50 -1.46 4.81 -1.21 -4.89 118.16 110.11 1uit n LYS 48 Ca -0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 1uit n LYS 48 Cb 0.38 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.34 1uit n LYS 48 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1uit s VAL 49 N -2.00 -0.57 0.47 3.15 0.11 -1.26 0.44 120.40 120.74 1uit s VAL 49 Ca 0.00 0.05 -0.23 0.00 -2.93 0.00 0.00 61.98 58.87 1uit s VAL 49 Cb 0.00 -0.71 -0.09 0.00 -1.53 0.00 0.00 36.38 34.06 1uit s VAL 49 CO 0.00 -0.04 1.10 0.41 -3.33 0.00 0.00 175.10 173.25 1uit n THR 50 N 5.37 2.86 -3.57 5.04 -1.04 0.23 -4.91 114.28 118.26 1uit n THR 50 Ca -0.06 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.05 61.09 1uit n THR 50 Cb 0.50 -1.31 -0.08 0.00 -1.82 0.00 0.00 70.33 67.62 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 -1.31 5.32 0.00 12.58 1.01 -1.26 -3.87 120.40 132.87 1uit s VAL 51 Ca 0.66 0.46 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1uit s VAL 51 Cb -0.50 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1uit s VAL 51 CO 0.54 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.63 1uit n GLY 52 N 3.60 0.68 3.99 4.51 0.00 -1.26 -5.05 105.19 111.66 1uit n GLY 52 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.77 5.71 0.12 1.61 0.01 -1.25 -4.89 113.70 112.23 1uit s SER 53 Ca 0.00 -0.37 -0.24 0.00 1.31 0.00 0.00 55.95 56.65 1uit s SER 53 Cb 0.00 -0.84 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 1uit s SER 53 CO 0.00 -0.64 1.38 -0.38 0.41 0.00 0.00 173.24 174.01 1uit n ILE 54 N -1.76 -0.52 -0.02 1.44 2.08 -1.22 -0.66 119.36 118.70 1uit n ILE 54 Ca 0.05 2.16 -0.01 0.00 0.56 0.00 0.00 62.75 65.52 1uit n ILE 54 Cb 0.59 -2.70 -0.01 0.00 -0.75 0.00 0.00 39.64 36.77 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 -3.21 -0.03 -0.35 -1.39 0.00 -0.77 0.70 120.51 115.46 1uit n ALA 55 Ca 0.02 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1uit n ALA 55 Cb 0.20 0.45 0.17 0.00 0.00 0.00 0.00 19.45 20.26 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 -3.08 0.41 -0.24 0.00 -0.00 -0.31 0.20 115.22 112.20 1uit n HIS 56 Ca 0.00 1.21 -0.02 0.00 -0.00 0.00 0.00 57.72 58.91 1uit n HIS 56 Cb 0.01 -1.11 0.09 0.00 -0.00 0.00 0.00 29.99 28.99 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 0.74 -0.56 1.57 4.20 0.24 -0.99 115.11 120.31 1uit h GLN 57 Ca 0.50 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 59.12 1uit h GLN 57 Cb 0.82 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 1uit h GLN 57 CO -1.01 0.49 0.15 0.00 -0.67 0.00 0.00 178.83 177.80 1uit h ALA 58 N 1.33 1.21 0.00 3.87 0.00 0.82 -3.47 119.26 123.02 1uit h ALA 58 Ca 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uit h ALA 58 Cb 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1uit h ALA 58 CO -0.15 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1uit n GLY 59 N -0.88 0.69 3.99 0.00 0.00 0.15 -4.79 105.19 104.36 1uit n GLY 59 Ca 0.04 -0.39 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 3.81 0.24 0.99 1.43 -1.19 -5.02 118.68 118.94 1uit s LEU 60 Ca 0.00 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 1uit s LEU 60 Cb 0.00 -2.82 0.03 0.00 0.03 0.00 0.00 46.19 43.43 1uit s LEU 60 CO 0.00 -0.59 0.66 -1.83 0.23 0.00 0.00 176.35 174.82 1uit s GLU 61 N -4.31 1.62 0.52 1.70 -1.05 -1.26 -4.80 118.70 111.11 1uit s GLU 61 Ca 0.48 -0.87 -0.17 0.00 -0.15 0.00 0.00 54.97 54.26 1uit s GLU 61 Cb -0.10 0.59 -0.08 0.00 -0.44 0.00 0.00 34.13 34.10 1uit s GLU 61 CO 0.33 -0.73 0.99 -0.47 0.95 0.00 0.00 175.26 176.34 1uit s TYR 62 N -3.88 3.41 0.00 4.83 6.14 -1.26 -3.57 117.35 123.02 1uit s TYR 62 Ca 0.09 1.48 0.00 0.00 0.64 0.00 0.00 57.07 59.28 1uit s TYR 62 Cb -0.04 -2.81 0.00 0.00 0.42 0.00 0.00 41.96 39.53 1uit s TYR 62 CO 0.01 -0.42 0.00 0.41 0.64 0.00 0.00 175.55 176.19 1uit n GLY 63 N -1.50 2.36 3.55 8.97 0.00 -1.20 -4.97 105.19 112.40 1uit n GLY 63 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1uit n GLY 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uit s ASP 64 N -2.94 6.24 0.08 1.61 -1.08 -1.23 -4.22 116.67 115.12 1uit s ASP 64 Ca 0.00 -0.69 -0.31 0.00 -0.52 0.00 0.00 52.55 51.04 1uit s ASP 64 Cb 0.00 -2.56 -0.09 0.00 -1.46 0.00 0.00 42.92 38.81 1uit s ASP 64 CO 0.00 -1.76 1.68 -1.58 0.52 0.00 0.00 175.17 174.03 1uit s GLN 65 N 5.56 4.19 -0.51 4.34 0.74 -1.26 -3.85 119.66 128.87 1uit s GLN 65 Ca 0.38 2.38 -0.28 0.00 0.05 0.00 0.00 55.36 57.88 1uit s GLN 65 Cb -0.06 -3.59 0.03 0.00 1.10 0.00 0.00 33.01 30.49 1uit s GLN 65 CO 0.09 -0.75 1.10 -0.51 -0.55 0.00 0.00 175.29 174.67 1uit s LEU 66 N 2.63 3.68 -0.10 3.68 1.43 -0.72 -2.48 118.68 126.79 1uit s LEU 66 Ca 0.75 0.23 -0.16 0.00 -1.03 0.00 0.00 54.13 53.92 1uit s LEU 66 Cb -0.41 -3.32 -0.13 0.00 0.03 0.00 0.00 46.19 42.36 1uit s LEU 66 CO 0.33 -1.29 0.50 -0.07 0.23 0.00 0.00 176.35 176.05 1uit h LEU 67 N 11.31 -0.06 -7.55 1.79 3.38 -0.65 -3.37 115.31 120.16 1uit h LEU 67 Ca -0.24 -0.45 -0.18 0.00 0.09 0.00 0.00 57.88 57.10 1uit h LEU 67 Cb 1.06 0.01 -0.26 0.00 0.09 0.00 0.00 40.66 41.56 1uit h LEU 67 CO 1.13 0.64 -0.51 -1.61 0.09 0.00 0.00 178.44 178.17 1uit s GLU 68 N -2.28 0.20 -0.40 1.13 2.02 -0.94 -1.18 118.70 117.26 1uit s GLU 68 Ca -0.10 0.24 -0.04 0.00 0.02 0.00 0.00 54.97 55.09 1uit s GLU 68 Cb -0.01 0.10 0.09 0.00 0.10 0.00 0.00 34.13 34.41 1uit s GLU 68 CO 0.37 -0.02 0.20 0.12 0.02 0.00 0.00 175.26 175.94 1uit s PHE 69 N 0.09 3.47 -1.55 1.61 2.19 0.24 0.57 117.98 124.60 1uit s PHE 69 Ca -0.00 -2.11 0.00 0.00 0.33 0.00 0.00 56.93 55.15 1uit s PHE 69 Cb -0.01 -3.02 0.00 0.00 -1.31 0.00 0.00 43.02 38.68 1uit s PHE 69 CO 0.00 -0.92 0.00 -1.71 1.83 0.00 0.00 175.22 174.42 1uit n ASN 70 N 4.69 -5.03 0.00 6.13 5.15 0.21 -0.68 115.26 125.73 1uit n ASN 70 Ca -0.06 0.36 0.00 0.00 -0.60 0.00 0.00 54.58 54.28 1uit n ASN 70 Cb 0.42 -4.14 0.00 0.00 -0.53 0.00 0.00 39.78 35.53 1uit n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uit n GLY 71 N -0.08 3.11 3.66 8.20 0.00 -1.26 -4.96 105.19 113.86 1uit n GLY 71 Ca -0.15 -1.04 -0.47 0.00 0.00 0.00 0.00 46.02 44.36 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 0.02 -2.64 -0.61 5.41 0.14 -4.89 119.36 116.80 1uit n ILE 72 Ca 0.00 -0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 1uit n ILE 72 Cb 0.00 -1.42 -0.02 0.00 -0.71 0.00 0.00 39.64 37.48 1uit n ILE 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1uit s ASN 73 N 0.93 6.83 0.04 4.38 4.22 -1.26 0.80 114.94 130.88 1uit s ASN 73 Ca 0.80 0.86 -0.09 0.00 -2.14 0.00 0.00 52.86 52.30 1uit s ASN 73 Cb -0.73 -2.54 -0.31 0.00 1.28 0.00 0.00 41.25 38.95 1uit s ASN 73 CO 0.40 -0.98 1.00 -0.07 -2.04 0.00 0.00 177.10 175.40 1uit h LEU 74 N 10.40 0.58 -1.50 3.54 -0.00 -1.36 -2.23 115.31 124.75 1uit h LEU 74 Ca -0.21 -0.67 0.46 0.00 -0.00 0.00 0.00 57.88 57.46 1uit h LEU 74 Cb 1.06 -0.19 -0.12 0.00 -0.00 0.00 0.00 40.66 41.41 1uit h LEU 74 CO 1.06 1.54 0.94 0.03 -0.00 0.00 0.00 178.44 182.01 1uit h ARG 75 N 0.10 0.05 0.00 1.13 3.08 -1.70 0.49 114.38 117.53 1uit h ARG 75 Ca -0.22 -0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.46 1uit h ARG 75 Cb 2.06 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 32.03 1uit h ARG 75 CO 0.22 0.03 -2.39 0.45 -1.07 0.00 0.00 179.97 177.21 1uit n SER 76 N -4.58 0.92 -4.60 7.04 2.88 -1.24 -4.00 113.62 110.04 1uit n SER 76 Ca 0.39 -0.04 -0.40 0.00 -1.33 0.00 0.00 58.87 57.49 1uit n SER 76 Cb 1.55 0.32 0.03 0.00 -0.75 0.00 0.00 64.21 65.35 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uit n ALA 77 N -2.96 0.08 -2.45 -1.46 0.00 0.17 -5.00 120.51 108.90 1uit n ALA 77 Ca -0.38 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1uit n ALA 77 Cb 1.08 -2.07 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1uit n ALA 77 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1uit n THR 78 N -0.96 0.00 0.02 0.00 -2.24 -1.26 -4.64 114.28 105.21 1uit n THR 78 Ca 0.11 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1uit n THR 78 Cb 0.42 -1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.36 1uit n THR 78 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1uit h GLU 79 N 0.00 0.61 -0.16 -0.78 4.11 -1.93 0.11 114.58 116.54 1uit h GLU 79 Ca -0.03 -0.54 -0.14 0.00 0.07 0.00 0.00 59.36 58.72 1uit h GLU 79 Cb 0.11 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1uit h GLU 79 CO 0.03 1.16 -0.46 -0.56 0.07 0.00 0.00 179.01 179.25 1uit h GLN 80 N 0.39 0.60 -0.49 1.06 3.07 -1.97 -1.39 115.11 116.37 1uit h GLN 80 Ca -0.06 -0.43 -0.12 0.00 0.09 0.00 0.00 58.65 58.13 1uit h GLN 80 Cb 1.46 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 29.07 1uit h GLN 80 CO 0.16 1.05 -0.16 1.96 0.09 0.00 0.00 178.83 181.92 1uit h GLN 81 N 0.25 0.98 -0.62 0.06 7.50 -1.94 -2.79 115.11 118.55 1uit h GLN 81 Ca -0.01 -0.40 -0.04 0.00 0.50 0.00 0.00 58.65 58.70 1uit h GLN 81 Cb 1.08 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 28.54 1uit h GLN 81 CO 0.10 1.07 0.25 0.00 -1.50 0.00 0.00 178.83 178.75 1uit h ALA 82 N 0.88 0.81 0.00 3.87 0.00 -0.97 0.63 119.26 124.47 1uit h ALA 82 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uit h ALA 82 Cb 0.74 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1uit h ALA 82 CO 0.06 0.43 0.00 0.54 0.00 0.00 0.00 179.25 180.28 1uit n ARG 83 N -4.44 0.11 -0.11 0.00 1.74 -0.53 -1.26 116.66 112.17 1uit n ARG 83 Ca 0.04 0.51 -0.19 0.00 -0.77 0.00 0.00 57.85 57.44 1uit n ARG 83 Cb 0.17 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 29.76 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 -2.00 1.91 -0.22 0.55 -0.00 -0.24 -3.40 117.00 113.62 1uit n LEU 84 Ca 0.00 0.33 -0.01 0.00 -0.00 0.00 0.00 56.01 56.34 1uit n LEU 84 Cb 0.09 -0.76 0.06 0.00 -0.00 0.00 0.00 43.42 42.81 1uit n LEU 84 CO 0.10 0.15 0.73 0.40 -0.00 0.00 0.00 177.39 178.78 1uit h ILE 85 N -0.97 0.35 -0.28 1.47 2.04 0.37 0.59 117.51 121.07 1uit h ILE 85 Ca -0.35 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1uit h ILE 85 Cb 1.30 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1uit h ILE 85 CO -0.21 0.00 -0.26 0.16 0.00 0.00 0.00 178.15 177.83 1uit h ILE 86 N -0.00 1.27 -0.71 -0.67 3.07 -1.41 -2.92 117.51 116.13 1uit h ILE 86 Ca 0.31 -1.32 -0.40 0.00 1.55 0.00 0.00 64.86 65.00 1uit h ILE 86 Cb 0.47 1.34 -0.15 0.00 -0.27 0.00 0.00 36.82 38.21 1uit h ILE 86 CO -0.66 0.42 0.39 0.61 -1.05 0.00 0.00 178.15 177.86 1uit n GLY 87 N -0.30 4.20 1.55 0.16 0.00 0.20 -4.70 105.19 106.29 1uit n GLY 87 Ca -0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 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 0.62 0.45 -3.96 1.61 6.02 -0.61 -4.84 117.38 116.67 1uit n GLN 88 Ca 0.39 -1.12 -0.31 0.00 -0.01 0.00 0.00 57.00 55.94 1uit n GLN 88 Cb 0.58 -0.23 -0.14 0.00 1.02 0.00 0.00 30.24 31.47 1uit n GLN 88 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1uit s GLN 89 N -3.37 1.80 -0.14 -1.09 1.11 -1.26 -4.99 119.66 111.71 1uit s GLN 89 Ca 0.26 -2.27 -0.05 0.00 0.01 0.00 0.00 55.36 53.31 1uit s GLN 89 Cb -0.02 -3.31 0.07 0.00 -1.01 0.00 0.00 33.01 28.75 1uit s GLN 89 CO 0.17 -1.04 0.28 0.00 0.01 0.00 0.00 175.29 174.71 1uit h ASP 91 N 8.28 -0.86 -3.35 0.00 3.32 -1.95 -3.38 116.42 118.49 1uit h ASP 91 Ca -0.15 0.23 -0.46 0.00 0.02 0.00 0.00 57.03 56.67 1uit h ASP 91 Cb 1.12 0.51 -0.35 0.00 0.22 0.00 0.00 39.33 40.82 1uit h ASP 91 CO 0.14 -0.26 -0.79 -0.89 -1.72 0.00 0.00 179.24 175.72 1uit s THR 92 N -6.16 0.72 0.07 0.35 2.01 -1.26 -0.47 115.64 110.88 1uit s THR 92 Ca -0.14 -0.17 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1uit s THR 92 Cb 0.20 -0.75 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 1uit s THR 92 CO 0.73 0.29 -0.09 -0.51 -0.69 0.00 0.00 174.62 174.35 1uit s ILE 93 N 1.26 0.74 0.30 1.82 -1.16 -0.74 -4.96 121.20 118.46 1uit s ILE 93 Ca -0.05 -1.34 0.08 0.00 -0.51 0.00 0.00 60.65 58.84 1uit s ILE 93 Cb -0.14 -0.97 -0.04 0.00 0.61 0.00 0.00 42.46 41.92 1uit s ILE 93 CO -0.02 -0.45 0.14 -0.89 -2.81 0.00 0.00 174.94 170.91 1uit s THR 94 N -1.85 3.59 -0.00 4.00 2.01 -1.26 0.15 115.64 122.28 1uit s THR 94 Ca -0.03 -1.63 0.01 0.00 0.31 0.00 0.00 61.69 60.35 1uit s THR 94 Cb -0.07 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.36 1uit s THR 94 CO 0.00 -0.28 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.99 1uit s ILE 95 N -2.30 0.24 -0.50 1.82 1.01 0.28 -0.62 121.20 121.13 1uit s ILE 95 Ca 0.35 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.84 1uit s ILE 95 Cb -0.05 -0.21 0.13 0.00 0.01 0.00 0.00 42.46 42.34 1uit s ILE 95 CO 0.23 0.07 0.32 -0.22 0.00 0.00 0.00 174.94 175.34 1uit s LEU 96 N -0.02 5.34 0.44 2.97 2.96 0.19 0.39 118.68 130.95 1uit s LEU 96 Ca 0.01 -2.31 0.08 0.00 -0.22 0.00 0.00 54.13 51.69 1uit s LEU 96 Cb -0.02 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.82 1uit s LEU 96 CO -0.00 -0.51 0.54 0.00 -1.32 0.00 0.00 176.35 175.06 1uit s ALA 97 N 0.74 4.42 -0.49 5.97 0.00 -0.38 0.10 121.76 132.11 1uit s ALA 97 Ca 0.11 -1.78 0.05 0.00 0.00 0.00 0.00 51.96 50.35 1uit s ALA 97 Cb -0.22 -1.40 0.19 0.00 0.00 0.00 0.00 23.12 21.69 1uit s ALA 97 CO -0.04 -0.35 0.77 -1.14 0.00 0.00 0.00 175.76 175.01 1uit s GLN 98 N -4.33 0.95 0.11 0.00 0.74 -1.03 0.07 119.66 116.17 1uit s GLN 98 Ca 0.53 -0.91 -0.28 0.00 0.05 0.00 0.00 55.36 54.75 1uit s GLN 98 Cb -0.07 -0.04 -0.16 0.00 1.10 0.00 0.00 33.01 33.85 1uit s GLN 98 CO 0.32 -1.19 0.62 0.98 -0.55 0.00 0.00 175.29 175.47 1uit n TYR 99 N 3.00 -0.09 -3.81 1.67 4.19 -1.26 -4.42 117.16 116.44 1uit n TYR 99 Ca 0.17 0.87 -0.25 0.00 3.31 0.00 0.00 57.90 62.00 1uit n TYR 99 Cb 0.57 -1.74 -0.17 0.00 0.49 0.00 0.00 39.34 38.49 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 -0.57 1.96 -0.53 2.98 2.47 -1.26 -4.03 114.94 115.96 1uit s ASN 100 Ca 0.64 -0.26 -0.06 0.00 0.42 0.00 0.00 52.86 53.60 1uit s ASN 100 Cb -0.91 -0.59 -0.14 0.00 -1.45 0.00 0.00 41.25 38.16 1uit s ASN 100 CO 0.49 -0.19 2.68 -0.81 -3.72 0.00 0.00 177.10 175.55 1uit n PRO 101 N 5.07 2.05 -2.71 0.43 -0.04 -1.26 -3.91 135.00 134.63 1uit n PRO 101 Ca -0.09 -1.20 -0.07 0.00 -0.04 0.00 0.00 63.50 62.10 1uit n PRO 101 Cb 0.50 -2.19 0.09 0.00 -0.04 0.00 0.00 33.50 31.85 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 3.20 -2.28 -3.58 0.54 8.25 -1.26 -5.11 115.22 114.99 1uit n HIS 102 Ca 0.44 -1.64 -0.16 0.00 -0.26 0.00 0.00 57.72 56.10 1uit n HIS 102 Cb 0.46 1.48 -0.13 0.00 1.12 0.00 0.00 29.99 32.92 1uit n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uit s VAL 103 N 0.30 -0.36 0.21 1.59 1.01 -1.25 -5.15 120.40 116.75 1uit s VAL 103 Ca 0.24 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1uit s VAL 103 Cb 0.27 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 36.07 1uit s VAL 103 CO -0.13 -0.03 -0.03 -2.28 0.00 0.00 0.00 175.10 172.63 1uit s HIS 104 N 2.36 1.48 0.27 5.22 2.46 -1.26 -5.05 115.29 120.77 1uit s HIS 104 Ca 0.05 -0.88 -0.29 0.00 0.47 0.00 0.00 55.06 54.41 1uit s HIS 104 Cb -0.14 -0.83 -0.09 0.00 -0.13 0.00 0.00 32.58 31.39 1uit s HIS 104 CO -0.10 -0.00 1.14 -0.65 -2.47 0.00 0.00 174.74 172.66 1uit s GLN 105 N -3.83 4.58 -0.45 2.88 -0.21 -1.26 -4.99 119.66 116.39 1uit s GLN 105 Ca 0.25 1.86 0.02 0.00 0.02 0.00 0.00 55.36 57.51 1uit s GLN 105 Cb 0.05 -3.19 0.20 0.00 1.00 0.00 0.00 33.01 31.06 1uit s GLN 105 CO 0.06 0.11 0.84 -1.17 -2.12 0.00 0.00 175.29 173.02 1uit s LEU 106 N -1.23 -1.07 0.00 2.90 2.96 -1.26 -5.15 118.68 115.83 1uit s LEU 106 Ca 0.47 -1.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 1uit s LEU 106 Cb -0.33 1.39 0.00 0.00 0.50 0.00 0.00 46.19 47.75 1uit s LEU 106 CO 0.41 -0.05 0.00 -1.20 -1.32 0.00 0.00 176.35 174.20 1uit n SER 107 N 3.00 0.00 -3.10 3.68 7.64 -1.26 -5.11 113.62 118.47 1uit n SER 107 Ca 0.15 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.89 1uit n SER 107 Cb 0.59 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1uit n SER 107 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1uit s SER 108 N 0.00 -0.05 -0.21 6.43 0.01 -1.26 -5.12 113.70 113.50 1uit s SER 108 Ca 0.00 -2.13 -0.04 0.00 1.31 0.00 0.00 55.95 55.09 1uit s SER 108 Cb 0.00 0.88 -0.01 0.00 0.21 0.00 0.00 66.02 67.10 1uit s SER 108 CO 0.00 -0.13 -0.03 -2.28 0.41 0.00 0.00 173.24 171.21 1uit s HIS 109 N 0.73 2.98 -0.23 2.43 2.46 -1.26 -5.09 115.29 117.32 1uit s HIS 109 Ca 0.28 -0.74 -0.06 0.00 0.47 0.00 0.00 55.06 55.02 1uit s HIS 109 Cb -0.01 -2.09 -0.02 0.00 -0.13 0.00 0.00 32.58 30.32 1uit s HIS 109 CO -0.10 -0.42 0.02 0.45 -2.47 0.00 0.00 174.74 172.22 1uit s SER 110 N 1.28 4.88 -0.11 9.88 0.15 -1.26 -5.08 113.70 123.43 1uit s SER 110 Ca 0.03 -0.24 -0.00 0.00 0.70 0.00 0.00 55.95 56.45 1uit s SER 110 Cb -0.14 -1.85 0.02 0.00 -1.71 0.00 0.00 66.02 62.33 1uit s SER 110 CO -0.01 0.00 -0.09 -0.60 1.20 0.00 0.00 173.24 173.75 1uit s ARG 111 N 1.36 1.62 0.02 5.44 3.52 -1.26 -5.13 118.95 124.52 1uit s ARG 111 Ca 0.05 -0.30 -0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1uit s ARG 111 Cb -0.15 -1.61 -0.04 0.00 -1.56 0.00 0.00 34.95 31.59 1uit s ARG 111 CO 0.02 -0.23 0.23 -1.12 -0.81 0.00 0.00 175.30 173.39 1uit s SER 112 N 1.55 6.42 0.00 -2.12 0.01 -1.26 -5.03 113.70 113.28 1uit s SER 112 Ca 0.02 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1uit s SER 112 Cb -0.13 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1uit s SER 112 CO -0.07 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1uit n GLY 113 N 0.86 0.14 0.14 3.44 0.00 -1.26 -5.06 105.19 103.45 1uit n GLY 113 Ca -0.10 0.51 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 1uit n GLY 113 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uit h PRO 114 N 0.00 0.40 -4.17 1.61 0.13 -2.10 -3.50 132.00 124.38 1uit h PRO 114 Ca 0.00 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1uit h PRO 114 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1uit h PRO 114 CO 0.00 1.05 -0.86 0.45 -0.23 0.00 0.00 178.00 178.41 1uit n SER 115 N -4.27 -8.44 -4.37 1.44 2.88 -1.26 -5.01 113.62 94.59 1uit n SER 115 Ca -0.10 1.42 -0.32 0.00 -1.33 0.00 0.00 58.87 58.54 1uit n SER 115 Cb 0.62 -4.68 -0.15 0.00 -0.75 0.00 0.00 64.21 59.26 1uit n SER 115 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uit s SER 116 N -0.49 3.57 0.00 -3.46 0.01 -1.26 -5.35 113.70 106.72 1uit s SER 116 Ca 0.00 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1uit s SER 116 Cb 0.00 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1uit s SER 116 CO 0.00 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.54