#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 3.31 0.07 1.61 1.04 -1.26 -5.13 113.70 113.35 1uit s SER 2 Ca 0.00 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.26 1uit s SER 2 Cb 0.00 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 1uit s SER 2 CO 0.00 -0.43 -0.06 -0.94 0.98 0.00 0.00 173.24 172.79 1uit s SER 3 N 2.12 0.91 0.00 7.02 1.04 -1.26 -5.14 113.70 118.38 1uit s SER 3 Ca 0.08 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1uit s SER 3 Cb -0.16 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.05 1uit s SER 3 CO -0.34 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1uit n GLY 4 N 0.57 -2.29 3.41 7.32 0.00 -1.26 -5.09 105.19 107.84 1uit n GLY 4 Ca -0.17 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.39 -0.47 0.01 1.61 0.01 -1.26 -5.08 113.70 107.13 1uit s SER 5 Ca 0.00 0.31 -0.01 0.00 1.31 0.00 0.00 55.95 57.56 1uit s SER 5 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1uit s SER 5 CO 0.00 -0.65 0.02 -1.20 0.41 0.00 0.00 173.24 171.82 1uit n SER 6 N 0.66 -9.07 -3.41 2.44 7.64 -1.26 -5.02 113.62 105.60 1uit n SER 6 Ca -0.19 1.86 -0.11 0.00 1.01 0.00 0.00 58.87 61.45 1uit n SER 6 Cb 0.59 -5.28 0.02 0.00 -1.01 0.00 0.00 64.21 58.53 1uit n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uit n GLY 7 N 1.85 2.30 0.00 0.23 0.00 -1.26 -4.93 105.19 103.37 1uit n GLY 7 Ca -0.03 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 1.64 1.48 3.84 -0.02 0.00 -1.26 -5.02 105.19 105.85 1uit n GLY 8 Ca 0.05 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.90 1uit n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uit s GLU 9 N 0.00 4.05 -0.57 1.61 -1.05 -1.26 -4.96 118.70 116.52 1uit s GLU 9 Ca 0.00 0.61 -0.26 0.00 -0.15 0.00 0.00 54.97 55.17 1uit s GLU 9 Cb 0.00 -2.78 -0.09 0.00 -0.44 0.00 0.00 34.13 30.81 1uit s GLU 9 CO 0.00 0.37 2.44 0.54 0.95 0.00 0.00 175.26 179.56 1uit n ARG 10 N 0.43 0.90 -4.12 -4.83 1.74 -1.26 -4.88 116.66 104.64 1uit n ARG 10 Ca -0.02 -0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 1uit n ARG 10 Cb 0.52 -3.29 -0.10 0.00 -1.02 0.00 0.00 32.46 28.57 1uit n ARG 10 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1uit s ARG 11 N 8.40 0.72 0.00 5.56 3.52 -1.26 -4.92 118.95 130.97 1uit s ARG 11 Ca 1.01 -1.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 1uit s ARG 11 Cb -0.27 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 1uit s ARG 11 CO 0.27 -0.13 0.00 1.63 -0.81 0.00 0.00 175.30 176.26 1uit n LYS 12 N 0.04 0.00 -2.92 5.12 5.02 -1.26 -4.70 118.16 119.45 1uit n LYS 12 Ca -0.12 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.75 1uit n LYS 12 Cb 0.62 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.58 1uit n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1uit s ASP 13 N 0.00 6.51 0.24 4.39 -1.08 -1.26 -5.03 116.67 120.44 1uit s ASP 13 Ca 0.00 0.20 -0.19 0.00 -0.52 0.00 0.00 52.55 52.04 1uit s ASP 13 Cb 0.00 -2.41 -0.08 0.00 -1.46 0.00 0.00 42.92 38.97 1uit s ASP 13 CO 0.00 -0.85 0.74 -0.13 0.52 0.00 0.00 175.17 175.44 1uit s ARG 14 N 3.31 4.23 0.37 4.34 0.52 -1.26 -4.96 118.95 125.50 1uit s ARG 14 Ca 0.33 0.86 0.27 0.00 -0.52 0.00 0.00 55.73 56.67 1uit s ARG 14 Cb -0.12 -2.80 0.88 0.00 0.52 0.00 0.00 34.95 33.43 1uit s ARG 14 CO 0.20 0.35 1.78 -1.00 0.02 0.00 0.00 175.30 176.65 1uit h PRO 15 N 3.21 0.00 0.00 3.54 0.13 -1.97 -3.46 132.00 133.45 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 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1uit h PRO 15 CO 0.65 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.08 1uit n TYR 16 N -2.69 0.00 -3.77 1.56 4.01 -1.26 -4.57 117.16 110.43 1uit n TYR 16 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.64 1uit n TYR 16 Cb 0.38 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.27 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1uit s VAL 17 N 0.00 -0.03 -0.60 -0.72 0.11 -1.26 -5.03 120.40 112.88 1uit s VAL 17 Ca 0.00 0.10 -0.40 0.00 -2.93 0.00 0.00 61.98 58.75 1uit s VAL 17 Cb 0.00 -0.26 -0.19 0.00 -1.53 0.00 0.00 36.38 34.40 1uit s VAL 17 CO 0.00 0.04 2.27 -0.62 -3.33 0.00 0.00 175.10 173.46 1uit n GLU 18 N 3.70 0.10 -0.97 1.54 1.02 -1.26 -4.77 120.64 120.00 1uit n GLU 18 Ca -0.20 0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.63 1uit n GLU 18 Cb 0.55 -1.60 0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 7.79 0.00 -2.47 3.49 1.02 -1.26 -4.46 120.64 124.75 1uit n GLU 19 Ca 0.56 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 57.28 1uit n GLU 19 Cb 0.00 -0.88 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.41 4.47 0.41 3.49 0.04 -1.26 -4.80 135.00 135.93 1uit s PRO 20 Ca 0.41 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.25 1uit s PRO 20 Cb -0.27 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1uit s PRO 20 CO 0.67 -0.18 0.40 -0.98 0.04 0.00 0.00 177.00 176.96 1uit s ARG 21 N 0.79 2.61 -0.29 4.56 1.70 -0.54 -4.94 118.95 122.84 1uit s ARG 21 Ca 0.56 -1.45 0.02 0.00 -0.47 0.00 0.00 55.73 54.39 1uit s ARG 21 Cb -0.29 -2.46 0.07 0.00 -0.57 0.00 0.00 34.95 31.70 1uit s ARG 21 CO 0.30 -0.17 -0.04 -1.01 -1.08 0.00 0.00 175.30 173.30 1uit s HIS 22 N -2.43 3.38 -0.26 5.89 3.76 -1.26 -2.25 115.29 122.12 1uit s HIS 22 Ca 0.48 -2.38 -0.16 0.00 -0.15 0.00 0.00 55.06 52.86 1uit s HIS 22 Cb -0.05 -2.22 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 1uit s HIS 22 CO 0.29 -0.88 0.43 0.08 -0.85 0.00 0.00 174.74 173.80 1uit s VAL 23 N 1.09 5.14 0.46 -0.90 1.01 0.16 -4.87 120.40 122.49 1uit s VAL 23 Ca -0.04 0.69 -0.15 0.00 0.00 0.00 0.00 61.98 62.49 1uit s VAL 23 Cb -0.20 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1uit s VAL 23 CO -0.05 0.13 0.89 -0.54 0.00 0.00 0.00 175.10 175.54 1uit s LYS 24 N 2.13 3.91 -0.02 2.72 -0.14 -1.26 0.43 119.74 127.50 1uit s LYS 24 Ca 0.17 0.78 0.02 0.00 -1.36 0.00 0.00 55.97 55.58 1uit s LYS 24 Cb -0.16 -2.24 0.01 0.00 -1.68 0.00 0.00 37.83 33.76 1uit s LYS 24 CO 0.10 -0.15 -0.06 0.08 -0.76 0.00 0.00 175.35 174.55 1uit s VAL 25 N -2.48 0.58 -0.82 3.17 1.01 0.37 -4.63 120.40 117.60 1uit s VAL 25 Ca 0.56 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1uit s VAL 25 Cb -0.10 -0.53 0.25 0.00 0.00 0.00 0.00 36.38 36.01 1uit s VAL 25 CO 0.29 0.19 0.94 0.00 0.00 0.00 0.00 175.10 176.52 1uit n GLN 26 N 3.35 3.03 0.00 2.72 6.02 -1.26 -1.04 117.38 130.20 1uit n GLN 26 Ca -0.18 -4.59 0.00 0.00 -0.01 0.00 0.00 57.00 52.22 1uit n GLN 26 Cb 0.55 -2.36 0.00 0.00 1.02 0.00 0.00 30.24 29.45 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 1.36 0.00 0.00 -1.09 5.02 0.34 -4.94 118.16 118.85 1uit n LYS 27 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1uit n LYS 27 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 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 0.83 2.13 1.65 0.72 0.00 -0.48 -4.56 105.19 105.49 1uit n GLY 28 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 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 1.04 0.12 -3.89 1.61 7.64 -1.26 -4.51 113.62 114.37 1uit n SER 29 Ca 0.00 -2.03 -0.09 0.00 1.01 0.00 0.00 58.87 57.76 1uit n SER 29 Cb 0.00 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.52 0.74 1.03 1.43 0.41 -1.26 -5.17 118.70 115.36 1uit s GLU 30 Ca 0.19 -0.86 -0.16 0.00 -0.41 0.00 0.00 54.97 53.73 1uit s GLU 30 Cb 0.26 0.30 0.21 0.00 -1.78 0.00 0.00 34.13 33.11 1uit s GLU 30 CO -0.09 -0.22 1.19 -1.25 -0.49 0.00 0.00 175.26 174.41 1uit s PRO 31 N -3.32 0.16 -0.08 0.39 0.04 -1.26 -4.82 135.00 126.11 1uit s PRO 31 Ca 0.01 -0.07 -0.20 0.00 0.04 0.00 0.00 61.00 60.77 1uit s PRO 31 Cb 0.03 -1.76 -0.16 0.00 0.04 0.00 0.00 34.50 32.65 1uit s PRO 31 CO -0.08 -2.79 0.74 1.25 0.04 0.00 0.00 177.00 176.16 1uit h LEU 32 N -1.92 -0.11 -2.54 -3.56 5.85 -1.91 -3.36 115.31 107.77 1uit h LEU 32 Ca -0.46 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 57.80 1uit h LEU 32 Cb 1.29 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1uit h LEU 32 CO 0.44 0.54 0.00 0.61 -0.34 0.00 0.00 178.44 179.69 1uit n GLY 33 N 1.00 0.44 3.18 3.75 0.00 -1.26 -1.23 105.19 111.06 1uit n GLY 33 Ca -0.07 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 0.04 -0.04 -0.61 -4.36 -1.26 -0.66 121.20 111.46 1uit s ILE 34 Ca 0.00 -0.32 -0.06 0.00 -0.26 0.00 0.00 60.65 60.01 1uit s ILE 34 Cb 0.00 -0.48 -0.04 0.00 1.25 0.00 0.00 42.46 43.19 1uit s ILE 34 CO 0.00 -0.17 0.21 -0.55 0.24 0.00 0.00 174.94 174.67 1uit s SER 35 N -0.71 6.45 0.14 4.36 0.15 0.14 -4.95 113.70 119.29 1uit s SER 35 Ca -0.08 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.12 1uit s SER 35 Cb -0.04 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.15 1uit s SER 35 CO 0.02 0.32 -0.09 0.27 1.20 0.00 0.00 173.24 174.95 1uit s ILE 36 N -1.19 1.10 -0.04 6.45 -5.25 -1.26 0.40 121.20 121.41 1uit s ILE 36 Ca 0.23 -2.04 -0.16 0.00 -0.99 0.00 0.00 60.65 57.68 1uit s ILE 36 Cb -0.13 -1.85 0.03 0.00 2.95 0.00 0.00 42.46 43.46 1uit s ILE 36 CO 0.12 -0.74 0.35 0.68 -1.79 0.00 0.00 174.94 173.56 1uit s VAL 37 N -3.37 0.04 0.03 8.37 -7.23 -0.00 -4.72 120.40 113.52 1uit s VAL 37 Ca 0.17 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.98 1uit s VAL 37 Cb 0.03 -0.63 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1uit s VAL 37 CO 0.00 -0.19 0.20 -0.55 -0.31 0.00 0.00 175.10 174.25 1uit s SER 38 N -1.05 6.36 0.11 4.85 0.15 -1.26 -1.50 113.70 121.37 1uit s SER 38 Ca -0.11 0.30 0.09 0.00 0.70 0.00 0.00 55.95 56.93 1uit s SER 38 Cb -0.04 -1.98 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 1uit s SER 38 CO 0.04 0.20 -0.22 -0.83 1.20 0.00 0.00 173.24 173.64 1uit s GLY 39 N -2.30 1.31 0.55 9.45 0.00 -1.25 -5.00 107.32 110.08 1uit s GLY 39 Ca 0.32 -1.31 0.37 0.00 0.00 0.00 0.00 44.72 44.11 1uit s GLY 39 CO 0.25 -1.31 2.14 1.05 0.00 0.00 0.00 173.10 175.22 1uit h GLU 40 N 3.95 0.00 -0.15 2.90 4.11 -1.99 -0.01 114.58 123.39 1uit h GLU 40 Ca -0.46 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.74 1uit h GLU 40 Cb 1.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1uit h GLU 40 CO 0.41 0.00 -0.78 -0.22 0.07 0.00 0.00 179.01 178.48 1uit h LYS 41 N 0.00 0.79 0.00 1.06 3.11 -2.04 -3.49 116.57 116.00 1uit h LYS 41 Ca 0.00 -0.65 0.00 0.00 -2.81 0.00 0.00 60.65 57.19 1uit h LYS 41 Cb 0.00 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 1uit h LYS 41 CO 0.00 1.26 0.00 0.41 -2.81 0.00 0.00 179.45 178.31 1uit n GLY 42 N 0.72 3.52 0.00 5.01 0.00 -0.02 -5.17 105.19 109.25 1uit n GLY 42 Ca -0.08 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.29 -0.30 3.09 -0.02 0.00 -1.26 -4.85 105.19 102.14 1uit n GLY 43 Ca 0.00 -2.27 -0.26 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.60 1.32 0.08 -0.61 -1.09 -1.26 -3.87 121.20 115.17 1uit s ILE 44 Ca 0.00 -0.62 0.10 0.00 -2.23 0.00 0.00 60.65 57.90 1uit s ILE 44 Cb 0.00 -1.16 -0.03 0.00 -1.58 0.00 0.00 42.46 39.69 1uit s ILE 44 CO 0.00 0.39 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.53 1uit s TYR 45 N 0.32 2.33 -0.14 3.97 2.02 -0.56 -1.38 117.35 123.91 1uit s TYR 45 Ca -0.09 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 55.92 1uit s TYR 45 Cb -0.13 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.07 1uit s TYR 45 CO 0.03 0.22 1.19 0.08 -1.57 0.00 0.00 175.55 175.51 1uit s VAL 46 N -0.92 4.37 -0.21 0.71 1.01 -1.26 -0.82 120.40 123.27 1uit s VAL 46 Ca 0.13 1.66 0.22 0.00 0.00 0.00 0.00 61.98 63.99 1uit s VAL 46 Cb -0.10 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 32.07 1uit s VAL 46 CO 0.04 -0.09 0.83 -0.24 0.00 0.00 0.00 175.10 175.64 1uit n SER 47 N 6.05 0.50 -3.57 3.32 2.88 0.16 -2.74 113.62 120.23 1uit n SER 47 Ca 0.12 0.13 0.03 0.00 -1.33 0.00 0.00 58.87 57.82 1uit n SER 47 Cb 0.46 1.07 -0.00 0.00 -0.75 0.00 0.00 64.21 64.98 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 -3.40 0.08 -0.27 -1.46 2.36 -1.18 -4.90 119.74 110.97 1uit s LYS 48 Ca -0.03 -0.04 -0.00 0.00 -2.55 0.00 0.00 55.97 53.35 1uit s LYS 48 Cb 0.12 0.03 0.14 0.00 -1.05 0.00 0.00 37.83 37.06 1uit s LYS 48 CO 0.84 -0.04 0.34 0.54 1.55 0.00 0.00 175.35 178.58 1uit s VAL 49 N -2.08 -0.50 0.24 4.02 0.11 -1.26 0.25 120.40 121.17 1uit s VAL 49 Ca 0.15 -0.32 -0.24 0.00 -2.93 0.00 0.00 61.98 58.64 1uit s VAL 49 Cb 0.07 -0.93 -0.15 0.00 -1.53 0.00 0.00 36.38 33.84 1uit s VAL 49 CO -0.06 -0.32 0.36 0.41 -3.33 0.00 0.00 175.10 172.16 1uit n THR 50 N 5.33 1.48 -3.34 5.04 -1.04 0.16 -4.82 114.28 117.10 1uit n THR 50 Ca -0.02 -0.46 -0.38 0.00 -2.04 0.00 0.00 64.05 61.15 1uit n THR 50 Cb 0.48 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.92 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 -1.12 5.18 0.00 12.58 1.01 -1.26 -3.73 120.40 133.06 1uit s VAL 51 Ca 0.58 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1uit s VAL 51 Cb -0.78 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 31.82 1uit s VAL 51 CO 0.54 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.52 1uit n GLY 52 N 3.66 0.94 3.93 4.51 0.00 -1.26 -5.05 105.19 111.91 1uit n GLY 52 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.88 5.24 0.08 1.61 0.01 -1.24 -4.82 113.70 111.69 1uit s SER 53 Ca 0.00 0.53 -0.15 0.00 1.31 0.00 0.00 55.95 57.63 1uit s SER 53 Cb 0.00 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.82 1uit s SER 53 CO 0.00 -1.29 1.22 -0.38 0.41 0.00 0.00 173.24 173.20 1uit n ILE 54 N -2.69 -0.34 -0.18 1.44 2.08 -1.16 -0.76 119.36 117.75 1uit n ILE 54 Ca 0.06 1.88 -0.05 0.00 0.56 0.00 0.00 62.75 65.20 1uit n ILE 54 Cb 0.59 -2.39 -0.04 0.00 -0.75 0.00 0.00 39.64 37.05 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 -3.13 -0.28 -0.34 -1.39 0.00 -0.36 0.83 120.51 115.84 1uit n ALA 55 Ca 0.01 0.37 0.02 0.00 0.00 0.00 0.00 53.44 53.84 1uit n ALA 55 Cb 0.13 0.17 0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 -3.97 0.17 -0.17 0.00 -0.00 0.06 0.18 115.22 111.50 1uit n HIS 56 Ca 0.01 1.13 -0.03 0.00 -0.00 0.00 0.00 57.72 58.83 1uit n HIS 56 Cb 0.11 -0.93 0.07 0.00 -0.00 0.00 0.00 29.99 29.24 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 -0.50 1.57 4.20 0.18 -1.55 115.11 119.44 1uit h GLN 57 Ca 0.38 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.07 1uit h GLN 57 Cb 0.61 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 1uit h GLN 57 CO -0.93 0.28 0.32 0.00 -0.67 0.00 0.00 178.83 177.84 1uit h ALA 58 N 1.32 0.63 0.00 3.87 0.00 0.49 -3.47 119.26 122.10 1uit h ALA 58 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1uit h ALA 58 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1uit h ALA 58 CO -0.22 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1uit n GLY 59 N -1.21 0.79 3.89 0.00 0.00 0.18 -4.85 105.19 104.00 1uit n GLY 59 Ca 0.02 0.00 -0.30 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 4.08 0.24 0.99 1.43 -1.19 -5.02 118.68 119.21 1uit s LEU 60 Ca 0.00 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 1uit s LEU 60 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.57 1uit s LEU 60 CO 0.00 -0.16 0.17 -1.83 0.23 0.00 0.00 176.35 174.76 1uit s GLU 61 N -3.30 1.37 0.40 1.70 1.03 -1.26 -4.78 118.70 113.86 1uit s GLU 61 Ca 0.45 -1.75 -0.10 0.00 0.03 0.00 0.00 54.97 53.60 1uit s GLU 61 Cb -0.11 0.28 -0.06 0.00 -0.80 0.00 0.00 34.13 33.43 1uit s GLU 61 CO 0.27 -0.47 0.76 -0.47 -1.33 0.00 0.00 175.26 174.02 1uit s TYR 62 N -3.94 3.47 0.00 4.83 6.14 -1.26 -3.84 117.35 122.75 1uit s TYR 62 Ca 0.39 1.02 0.00 0.00 0.64 0.00 0.00 57.07 59.13 1uit s TYR 62 Cb 0.06 -2.42 0.00 0.00 0.42 0.00 0.00 41.96 40.01 1uit s TYR 62 CO 0.17 -0.09 0.00 0.41 0.64 0.00 0.00 175.55 176.68 1uit n GLY 63 N -1.26 2.44 3.55 8.97 0.00 -1.11 -4.95 105.19 112.82 1uit n GLY 63 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.66 6.42 0.26 1.61 -1.08 -1.25 -4.13 116.67 114.85 1uit s ASP 64 Ca 0.00 -1.26 -0.31 0.00 -0.52 0.00 0.00 52.55 50.46 1uit s ASP 64 Cb 0.00 -2.55 -0.12 0.00 -1.46 0.00 0.00 42.92 38.79 1uit s ASP 64 CO 0.00 -1.55 1.62 1.67 0.52 0.00 0.00 175.17 177.44 1uit n GLN 65 N 8.78 2.66 -3.22 4.34 7.27 -1.26 -4.02 117.38 131.93 1uit n GLN 65 Ca 0.24 0.95 -0.40 0.00 0.07 0.00 0.00 57.00 57.87 1uit n GLN 65 Cb 0.50 -2.75 -0.07 0.00 2.41 0.00 0.00 30.24 30.34 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 0.12 4.12 -0.23 1.69 1.43 -0.48 -2.50 118.68 122.83 1uit s LEU 66 Ca 0.68 0.67 -0.01 0.00 -1.03 0.00 0.00 54.13 54.44 1uit s LEU 66 Cb -0.52 -2.73 -0.18 0.00 0.03 0.00 0.00 46.19 42.78 1uit s LEU 66 CO 0.43 -0.23 -0.12 0.18 0.23 0.00 0.00 176.35 176.84 1uit n LEU 67 N 5.05 2.83 -3.76 1.79 4.77 0.30 -4.14 117.00 123.85 1uit n LEU 67 Ca -0.04 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 1uit n LEU 67 Cb 0.50 -0.95 -0.11 0.00 -2.33 0.00 0.00 43.42 40.54 1uit n LEU 67 CO 0.42 0.89 -0.02 -1.61 -1.33 0.00 0.00 177.39 175.74 1uit s GLU 68 N -2.52 0.36 -0.34 3.23 2.02 -1.17 -0.21 118.70 120.08 1uit s GLU 68 Ca -0.33 0.46 -0.00 0.00 0.02 0.00 0.00 54.97 55.12 1uit s GLU 68 Cb 0.09 0.16 0.08 0.00 0.10 0.00 0.00 34.13 34.55 1uit s GLU 68 CO 0.62 -0.06 0.06 0.12 0.02 0.00 0.00 175.26 176.03 1uit s PHE 69 N 0.28 3.46 -1.33 1.61 2.19 -0.85 0.19 117.98 123.54 1uit s PHE 69 Ca -0.01 -2.32 0.00 0.00 0.33 0.00 0.00 56.93 54.94 1uit s PHE 69 Cb -0.03 -2.58 0.00 0.00 -1.31 0.00 0.00 43.02 39.10 1uit s PHE 69 CO -0.01 -0.89 0.00 -1.71 1.83 0.00 0.00 175.22 174.44 1uit n ASN 70 N 4.52 -5.38 0.00 6.13 2.85 0.30 -0.43 115.26 123.25 1uit n ASN 70 Ca -0.07 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.71 1uit n ASN 70 Cb 0.42 -4.15 0.00 0.00 1.24 0.00 0.00 39.78 37.29 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 1.17 3.32 8.20 0.00 -1.26 -4.87 105.19 111.86 1uit n GLY 71 Ca -0.12 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -3.65 -0.61 5.41 0.43 -4.93 119.36 116.00 1uit n ILE 72 Ca 0.00 -0.25 -0.39 0.00 1.00 0.00 0.00 62.75 63.11 1uit n ILE 72 Cb 0.00 -0.51 -0.11 0.00 -0.71 0.00 0.00 39.64 38.31 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 -1.81 5.53 0.01 4.38 2.47 -1.26 -2.00 114.94 122.25 1uit s ASN 73 Ca 0.54 -1.50 -0.18 0.00 0.42 0.00 0.00 52.86 52.13 1uit s ASN 73 Cb -0.18 -1.95 -0.34 0.00 -1.45 0.00 0.00 41.25 37.34 1uit s ASN 73 CO 0.69 -0.50 0.98 -0.07 -3.72 0.00 0.00 177.10 174.48 1uit h LEU 74 N 8.33 0.72 -1.99 3.21 -0.00 -0.84 -3.24 115.31 121.51 1uit h LEU 74 Ca -0.22 -0.92 0.53 0.00 -0.00 0.00 0.00 57.88 57.27 1uit h LEU 74 Cb 1.08 -0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 41.43 1uit h LEU 74 CO 0.72 1.59 1.32 0.03 -0.00 0.00 0.00 178.44 182.10 1uit h ARG 75 N -0.02 0.00 -1.17 1.13 -0.00 -1.66 1.51 114.38 114.16 1uit h ARG 75 Ca -0.21 0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.70 1uit h ARG 75 Cb 1.95 0.00 -0.42 0.00 0.00 0.00 0.00 29.97 31.50 1uit h ARG 75 CO 0.23 0.00 -0.77 0.45 0.00 0.00 0.00 179.97 179.88 1uit n SER 76 N -3.97 4.78 -3.46 7.04 2.88 -1.22 -4.18 113.62 115.49 1uit n SER 76 Ca 0.41 -3.72 -0.20 0.00 -1.33 0.00 0.00 58.87 54.03 1uit n SER 76 Cb 1.88 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 64.88 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 -0.58 0.34 -4.16 -1.46 0.00 0.52 -4.99 120.51 110.17 1uit n ALA 77 Ca 0.41 -1.47 -0.21 0.00 0.00 0.00 0.00 53.44 52.17 1uit n ALA 77 Cb 0.80 0.89 -0.06 0.00 0.00 0.00 0.00 19.45 21.08 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 -0.74 0.00 0.01 0.00 -2.24 -1.26 -4.55 114.28 105.49 1uit n THR 78 Ca -0.09 -1.98 -0.07 0.00 -2.27 0.00 0.00 64.05 59.64 1uit n THR 78 Cb 0.42 0.85 0.11 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.52 0.09 -0.78 4.11 -1.90 -1.12 114.58 115.51 1uit h GLU 79 Ca -0.23 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 1uit h GLU 79 Cb 0.99 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1uit h GLU 79 CO 0.35 0.85 -0.05 -0.56 0.07 0.00 0.00 179.01 179.67 1uit h GLN 80 N 0.43 -0.12 0.60 1.06 3.07 -1.98 -2.57 115.11 115.60 1uit h GLN 80 Ca 0.03 0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.76 1uit h GLN 80 Cb 0.91 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.48 1uit h GLN 80 CO 0.08 0.33 -0.48 1.96 0.09 0.00 0.00 178.83 180.82 1uit h GLN 81 N -0.64 -1.01 -0.48 0.06 7.50 -1.96 -2.31 115.11 116.27 1uit h GLN 81 Ca -0.01 0.07 0.05 0.00 0.50 0.00 0.00 58.65 59.25 1uit h GLN 81 Cb 0.51 0.23 -0.07 0.00 0.05 0.00 0.00 27.48 28.20 1uit h GLN 81 CO 0.02 -0.67 -0.38 0.00 -1.50 0.00 0.00 178.83 176.30 1uit h ALA 82 N -0.88 -0.47 -1.42 3.87 0.00 -1.30 1.56 119.26 120.62 1uit h ALA 82 Ca -0.07 0.04 0.46 0.00 0.00 0.00 0.00 54.91 55.34 1uit h ALA 82 Cb 0.88 1.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.68 1uit h ALA 82 CO 0.00 -0.70 0.94 0.00 0.00 0.00 0.00 179.25 179.49 1uit h ARG 83 N -0.12 0.05 0.15 0.00 3.08 -1.33 1.48 114.38 117.69 1uit h ARG 83 Ca 0.08 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.91 1uit h ARG 83 Cb 0.32 -0.01 0.02 0.00 0.08 0.00 0.00 29.97 30.38 1uit h ARG 83 CO -0.51 0.03 -0.99 -0.07 -1.07 0.00 0.00 179.97 177.36 1uit h LEU 84 N 0.05 0.49 0.60 3.04 3.38 0.18 -0.97 115.31 122.08 1uit h LEU 84 Ca 0.85 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1uit h LEU 84 Cb 2.80 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 43.38 1uit h LEU 84 CO -0.37 1.47 -0.38 0.40 0.09 0.00 0.00 178.44 179.65 1uit h ILE 85 N -0.31 0.23 -0.07 1.22 2.04 1.15 -1.94 117.51 119.83 1uit h ILE 85 Ca -0.18 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1uit h ILE 85 Cb 1.72 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1uit h ILE 85 CO 0.15 0.00 -0.18 0.16 0.00 0.00 0.00 178.15 178.28 1uit h ILE 86 N -0.93 1.17 -0.45 -0.67 3.07 0.57 -2.19 117.51 118.07 1uit h ILE 86 Ca -0.07 -0.77 -0.28 0.00 1.55 0.00 0.00 64.86 65.28 1uit h ILE 86 Cb 0.76 1.32 -0.13 0.00 -0.27 0.00 0.00 36.82 38.50 1uit h ILE 86 CO 0.07 0.23 0.37 0.61 -1.05 0.00 0.00 178.15 178.37 1uit n GLY 87 N -0.89 3.75 1.71 0.16 0.00 -0.37 -4.30 105.19 105.25 1uit n GLY 87 Ca -0.02 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 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 0.22 0.79 -4.69 1.61 6.02 -0.82 -4.84 117.38 115.66 1uit n GLN 88 Ca 0.28 -1.35 -0.32 0.00 -0.01 0.00 0.00 57.00 55.59 1uit n GLN 88 Cb 0.71 -0.12 -0.12 0.00 1.02 0.00 0.00 30.24 31.73 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 -3.18 2.48 0.00 -1.09 0.00 -1.26 -4.91 119.66 111.70 1uit s GLN 89 Ca 0.27 -0.73 0.00 0.00 -0.00 0.00 0.00 55.36 54.90 1uit s GLN 89 Cb -0.02 -2.41 0.00 0.00 0.00 0.00 0.00 33.01 30.57 1uit s GLN 89 CO 0.17 0.61 0.00 0.00 0.00 0.00 0.00 175.29 176.07 1uit h ASP 91 N 0.00 -0.16 -3.30 0.00 3.32 -1.93 -3.29 116.42 111.06 1uit h ASP 91 Ca 0.00 0.10 -0.46 0.00 0.02 0.00 0.00 57.03 56.69 1uit h ASP 91 Cb 0.00 0.18 -0.36 0.00 0.22 0.00 0.00 39.33 39.36 1uit h ASP 91 CO 0.00 -0.05 -0.78 -0.89 -1.72 0.00 0.00 179.24 175.80 1uit s THR 92 N -6.17 0.67 0.07 0.35 2.01 -1.26 0.13 115.64 111.44 1uit s THR 92 Ca -0.13 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1uit s THR 92 Cb 0.15 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 1uit s THR 92 CO 0.72 0.29 -0.10 -0.51 -0.69 0.00 0.00 174.62 174.32 1uit s ILE 93 N 1.53 0.86 0.30 1.82 -1.16 -0.21 -4.96 121.20 119.39 1uit s ILE 93 Ca -0.01 -1.39 0.08 0.00 -0.51 0.00 0.00 60.65 58.82 1uit s ILE 93 Cb -0.13 -1.07 -0.04 0.00 0.61 0.00 0.00 42.46 41.83 1uit s ILE 93 CO -0.04 -0.42 0.18 -0.89 -2.81 0.00 0.00 174.94 170.96 1uit s THR 94 N -1.84 3.69 0.00 4.00 2.01 -1.26 0.14 115.64 122.37 1uit s THR 94 Ca -0.01 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.45 1uit s THR 94 Cb -0.07 -3.15 -0.00 0.00 0.01 0.00 0.00 72.50 69.29 1uit s THR 94 CO 0.01 -0.26 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.04 1uit s ILE 95 N -2.28 0.01 -0.29 1.82 1.01 0.17 0.11 121.20 121.75 1uit s ILE 95 Ca 0.36 -0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 1uit s ILE 95 Cb -0.06 -0.04 0.02 0.00 0.01 0.00 0.00 42.46 42.39 1uit s ILE 95 CO 0.24 -0.06 0.04 -0.22 0.00 0.00 0.00 174.94 174.94 1uit s LEU 96 N -0.17 3.75 0.46 2.97 1.98 0.51 0.35 118.68 128.53 1uit s LEU 96 Ca -0.02 -0.86 0.03 0.00 -2.89 0.00 0.00 54.13 50.38 1uit s LEU 96 Cb -0.01 -1.81 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 1uit s LEU 96 CO -0.00 -0.20 0.04 0.00 -1.89 0.00 0.00 176.35 174.30 1uit s ALA 97 N 1.42 3.59 -0.33 5.97 0.00 -0.96 -0.54 121.76 130.91 1uit s ALA 97 Ca 0.01 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 1uit s ALA 97 Cb -0.18 0.27 0.19 0.00 0.00 0.00 0.00 23.12 23.40 1uit s ALA 97 CO 0.00 -0.13 0.95 -1.14 0.00 0.00 0.00 175.76 175.44 1uit s GLN 98 N -3.81 0.30 0.19 0.00 0.74 -1.04 -1.47 119.66 114.57 1uit s GLN 98 Ca 0.16 0.00 -0.30 0.00 0.05 0.00 0.00 55.36 55.27 1uit s GLN 98 Cb 0.03 0.06 -0.17 0.00 1.10 0.00 0.00 33.01 34.04 1uit s GLN 98 CO 0.09 -0.47 0.77 0.98 -0.55 0.00 0.00 175.29 176.11 1uit n TYR 99 N 4.30 0.25 -3.93 1.67 9.36 -1.26 -4.18 117.16 123.36 1uit n TYR 99 Ca 0.07 0.89 -0.30 0.00 3.32 0.00 0.00 57.90 61.88 1uit n TYR 99 Cb 0.60 -2.08 -0.16 0.00 -0.63 0.00 0.00 39.34 37.07 1uit n TYR 99 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1uit s ASN 100 N -0.67 3.29 -0.19 2.98 2.47 -1.26 -4.41 114.94 117.15 1uit s ASN 100 Ca 0.67 -0.88 -0.05 0.00 0.42 0.00 0.00 52.86 53.02 1uit s ASN 100 Cb -0.91 -1.08 -0.18 0.00 -1.45 0.00 0.00 41.25 37.63 1uit s ASN 100 CO 0.57 -0.19 2.79 -0.81 -3.72 0.00 0.00 177.10 175.74 1uit n PRO 101 N 4.76 1.71 0.00 0.43 -0.04 -1.26 -3.06 135.00 137.53 1uit n PRO 101 Ca -0.13 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 1uit n PRO 101 Cb 0.46 -1.99 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 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 2.83 0.00 -1.49 0.54 -0.00 -1.26 -5.09 115.22 110.75 1uit n HIS 102 Ca 0.37 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.75 1uit n HIS 102 Cb 0.61 0.23 0.08 0.00 -0.00 0.00 0.00 29.99 30.91 1uit n HIS 102 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1uit s VAL 103 N -1.72 2.58 0.15 3.57 0.11 -1.17 -5.03 120.40 118.88 1uit s VAL 103 Ca 0.00 0.27 -0.25 0.00 -2.93 0.00 0.00 61.98 59.08 1uit s VAL 103 Cb 0.00 -2.80 0.07 0.00 -1.53 0.00 0.00 36.38 32.12 1uit s VAL 103 CO 0.00 -0.16 1.00 -1.38 -3.33 0.00 0.00 175.10 171.23 1uit s HIS 104 N -2.13 -0.08 0.00 1.54 -3.43 -1.26 -5.05 115.29 104.88 1uit s HIS 104 Ca 0.72 -0.23 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 1uit s HIS 104 Cb -0.26 0.65 0.00 0.00 -1.43 0.00 0.00 32.58 31.53 1uit s HIS 104 CO 0.45 -0.81 0.00 0.94 -2.00 0.00 0.00 174.74 173.32 1uit n GLN 105 N -0.52 0.00 -3.70 -0.38 7.27 -1.26 -4.98 117.38 113.81 1uit n GLN 105 Ca -0.06 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.72 1uit n GLN 105 Cb 0.61 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.13 1uit n GLN 105 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1uit s LEU 106 N -1.42 2.89 -0.12 1.69 1.43 -1.26 -5.09 118.68 116.80 1uit s LEU 106 Ca 0.00 -2.92 -0.41 0.00 -1.03 0.00 0.00 54.13 49.77 1uit s LEU 106 Cb 0.00 -1.05 -0.19 0.00 0.03 0.00 0.00 46.19 44.98 1uit s LEU 106 CO 0.00 -0.22 1.30 -1.54 0.23 0.00 0.00 176.35 176.12 1uit n SER 107 N 3.15 0.76 -3.56 2.29 3.41 -1.26 -4.93 113.62 113.48 1uit n SER 107 Ca 0.14 1.15 -0.16 0.00 -0.26 0.00 0.00 58.87 59.74 1uit n SER 107 Cb 0.37 -0.98 -0.06 0.00 -0.26 0.00 0.00 64.21 63.28 1uit n SER 107 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uit s SER 108 N 1.07 -0.54 -0.84 4.04 0.01 -1.26 -5.10 113.70 111.09 1uit s SER 108 Ca 0.94 0.44 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1uit s SER 108 Cb -1.25 0.50 0.20 0.00 0.21 0.00 0.00 66.02 65.69 1uit s SER 108 CO 0.62 -0.64 0.70 -2.28 0.41 0.00 0.00 173.24 172.04 1uit s HIS 109 N -1.72 3.81 0.96 2.43 5.65 -1.26 -5.07 115.29 120.08 1uit s HIS 109 Ca -0.09 -3.14 -0.12 0.00 0.25 0.00 0.00 55.06 51.96 1uit s HIS 109 Cb -0.01 -3.08 0.17 0.00 -1.18 0.00 0.00 32.58 28.48 1uit s HIS 109 CO 0.05 -0.67 1.09 -1.54 -0.65 0.00 0.00 174.74 173.01 1uit s SER 110 N -0.58 2.88 -0.20 9.88 1.04 -1.26 -5.06 113.70 120.40 1uit s SER 110 Ca 0.27 1.50 -0.30 0.00 0.48 0.00 0.00 55.95 57.89 1uit s SER 110 Cb -0.06 -2.17 0.15 0.00 0.10 0.00 0.00 66.02 64.04 1uit s SER 110 CO -0.14 -3.01 1.13 -0.60 0.98 0.00 0.00 173.24 171.60 1uit s ARG 111 N -4.84 0.40 0.03 4.02 3.52 -1.26 -5.18 118.95 115.63 1uit s ARG 111 Ca 0.65 0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 56.20 1uit s ARG 111 Cb -0.20 0.19 0.01 0.00 -1.56 0.00 0.00 34.95 33.39 1uit s ARG 111 CO 0.58 -0.13 0.25 -1.12 -0.81 0.00 0.00 175.30 174.07 1uit s SER 112 N -1.19 -0.06 0.00 -2.12 0.01 -1.26 -5.18 113.70 103.90 1uit s SER 112 Ca 0.03 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1uit s SER 112 Cb -0.01 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.53 1uit s SER 112 CO -0.02 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1uit n GLY 113 N 0.86 5.48 3.78 3.44 0.00 -1.26 -5.15 105.19 112.34 1uit n GLY 113 Ca -0.20 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.80 0.34 0.11 1.61 0.04 -1.26 -5.09 135.00 129.94 1uit s PRO 114 Ca 0.00 -0.01 -0.26 0.00 0.04 0.00 0.00 61.00 60.76 1uit s PRO 114 Cb 0.00 -1.77 0.08 0.00 0.04 0.00 0.00 34.50 32.84 1uit s PRO 114 CO 0.00 -2.68 1.03 -1.54 0.04 0.00 0.00 177.00 173.85 1uit s SER 115 N -4.25 -0.16 0.95 6.66 1.04 -1.26 -5.17 113.70 111.52 1uit s SER 115 Ca 0.69 -0.32 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 1uit s SER 115 Cb -0.10 0.41 0.16 0.00 0.10 0.00 0.00 66.02 66.59 1uit s SER 115 CO 0.54 -0.75 1.09 -0.55 0.98 0.00 0.00 173.24 174.55 1uit s SER 116 N -2.92 3.01 0.00 7.02 0.15 -1.26 -5.37 113.70 114.33 1uit s SER 116 Ca 0.12 1.40 0.20 0.00 0.70 0.00 0.00 55.95 58.38 1uit s SER 116 Cb -0.00 -2.08 1.20 0.00 -1.71 0.00 0.00 66.02 63.43 1uit s SER 116 CO 0.00 -2.92 1.59 0.61 1.20 0.00 0.00 173.24 173.72