#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uit n SER 2 N 0.00 -5.39 -3.58 1.61 2.88 -1.26 -5.09 113.62 102.80 1uit n SER 2 Ca 0.00 1.26 -0.16 0.00 -1.33 0.00 0.00 58.87 58.64 1uit n SER 2 Cb 0.00 -4.15 -0.07 0.00 -0.75 0.00 0.00 64.21 59.24 1uit n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uit s SER 3 N -0.46 -0.70 0.00 -3.46 0.15 -1.26 -5.06 113.70 102.91 1uit s SER 3 Ca -0.07 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.65 1uit s SER 3 Cb 0.00 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1uit s SER 3 CO 0.19 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1uit n GLY 4 N 1.81 2.18 0.81 9.45 0.00 -1.26 -5.05 105.19 113.14 1uit n GLY 4 Ca -0.16 -2.15 -0.00 0.00 0.00 0.00 0.00 46.02 43.70 1uit n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uit n SER 5 N 0.00 0.24 -0.53 1.61 7.64 -1.26 -5.15 113.62 116.17 1uit n SER 5 Ca 0.00 0.03 0.04 0.00 1.01 0.00 0.00 58.87 59.96 1uit n SER 5 Cb 0.00 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.01 1uit n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1uit n SER 6 N -2.72 -2.88 -4.76 6.43 7.64 -1.26 -4.86 113.62 111.21 1uit n SER 6 Ca -0.01 0.57 -0.41 0.00 1.01 0.00 0.00 58.87 60.04 1uit n SER 6 Cb 0.02 -1.60 -0.03 0.00 -1.01 0.00 0.00 64.21 61.59 1uit n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1uit s GLY 7 N -4.78 2.81 -0.25 0.23 0.00 -1.26 -4.98 107.32 99.09 1uit s GLY 7 Ca 0.00 1.16 -0.24 0.00 0.00 0.00 0.00 44.72 45.65 1uit s GLY 7 CO 0.00 1.92 0.79 -0.32 0.00 0.00 0.00 173.10 175.48 1uit s GLY 8 N -0.25 1.76 -0.46 0.20 0.00 -1.26 -4.96 107.32 102.34 1uit s GLY 8 Ca 0.51 -0.22 0.08 0.00 0.00 0.00 0.00 44.72 45.09 1uit s GLY 8 CO 0.46 1.73 0.65 1.18 0.00 0.00 0.00 173.10 177.12 1uit n GLU 9 N 5.97 1.40 -3.54 2.90 1.02 -1.26 -5.04 120.64 122.10 1uit n GLU 9 Ca 0.04 -3.73 -0.18 0.00 -0.02 0.00 0.00 57.16 53.28 1uit n GLU 9 Cb 0.48 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 30.13 1uit n GLU 9 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1uit s ARG 10 N -1.91 0.16 -0.47 3.49 3.52 -1.26 -5.11 118.95 117.37 1uit s ARG 10 Ca 0.38 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.98 1uit s ARG 10 Cb 0.21 -1.02 0.02 0.00 -1.56 0.00 0.00 34.95 32.60 1uit s ARG 10 CO -0.08 -0.58 1.36 0.50 -0.81 0.00 0.00 175.30 175.68 1uit s ARG 11 N 2.32 3.52 -0.03 5.12 6.06 -1.26 -4.93 118.95 129.75 1uit s ARG 11 Ca 0.06 0.70 -0.30 0.00 -2.50 0.00 0.00 55.73 53.69 1uit s ARG 11 Cb -0.15 -4.03 0.11 0.00 0.06 0.00 0.00 34.95 30.94 1uit s ARG 11 CO -0.11 -1.65 0.99 0.21 -2.50 0.00 0.00 175.30 172.24 1uit s LYS 12 N 5.02 0.72 -0.30 5.12 2.20 -1.26 -5.16 119.74 126.08 1uit s LYS 12 Ca 0.56 -0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 55.75 1uit s LYS 12 Cb -0.11 0.32 0.17 0.00 -1.51 0.00 0.00 37.83 36.69 1uit s LYS 12 CO 0.30 -0.32 0.93 0.16 -0.36 0.00 0.00 175.35 176.06 1uit s ASP 13 N -2.48 -0.69 -0.43 1.43 -4.77 -1.26 -5.03 116.67 103.44 1uit s ASP 13 Ca 0.07 0.76 -0.35 0.00 -3.30 0.00 0.00 52.55 49.74 1uit s ASP 13 Cb -0.01 1.71 0.05 0.00 -1.09 0.00 0.00 42.92 43.59 1uit s ASP 13 CO -0.07 -0.13 0.61 0.54 0.70 0.00 0.00 175.17 176.82 1uit n ARG 14 N 5.17 -1.75 0.21 2.11 1.74 -1.26 -4.83 116.66 118.05 1uit n ARG 14 Ca -0.08 1.27 0.09 0.00 -0.77 0.00 0.00 57.85 58.36 1uit n ARG 14 Cb 0.52 -1.83 0.32 0.00 -1.02 0.00 0.00 32.46 30.45 1uit n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1uit h PRO 15 N 1.82 0.00 0.00 5.56 0.13 -2.01 -3.45 132.00 134.05 1uit h PRO 15 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1uit h PRO 15 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1uit h PRO 15 CO 0.22 0.23 0.00 0.98 -0.23 0.00 0.00 178.00 179.20 1uit n TYR 16 N -3.27 -0.74 -4.25 1.56 9.36 -1.26 -5.15 117.16 113.41 1uit n TYR 16 Ca 0.01 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.97 1uit n TYR 16 Cb 0.51 0.15 -0.07 0.00 -0.63 0.00 0.00 39.34 39.30 1uit n TYR 16 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1uit s VAL 17 N -1.80 1.96 -0.62 2.97 -7.23 -1.26 -5.06 120.40 109.37 1uit s VAL 17 Ca 0.00 -1.74 -0.27 0.00 -1.81 0.00 0.00 61.98 58.16 1uit s VAL 17 Cb 0.00 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1uit s VAL 17 CO 0.00 0.00 1.53 -1.61 -0.31 0.00 0.00 175.10 174.71 1uit s GLU 18 N -3.95 3.07 0.54 4.82 8.01 -1.25 -4.63 118.70 125.31 1uit s GLU 18 Ca 0.33 0.35 -0.14 0.00 0.01 0.00 0.00 54.97 55.52 1uit s GLU 18 Cb 0.03 -4.22 -0.12 0.00 -4.31 0.00 0.00 34.13 25.51 1uit s GLU 18 CO 0.18 -2.23 -0.28 0.39 0.01 0.00 0.00 175.26 173.33 1uit n GLU 19 N 9.00 0.00 -2.32 1.61 1.02 -1.26 -4.23 120.64 124.46 1uit n GLU 19 Ca 0.13 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.85 1uit n GLU 19 Cb 0.50 -0.81 -0.03 0.00 -0.02 0.00 0.00 31.44 31.08 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 -1.08 3.23 0.35 3.49 0.04 -1.26 -4.67 135.00 135.09 1uit s PRO 20 Ca 0.42 0.54 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 1uit s PRO 20 Cb -0.32 -4.16 -0.08 0.00 0.04 0.00 0.00 34.50 29.99 1uit s PRO 20 CO 0.58 -2.02 0.72 -0.98 0.04 0.00 0.00 177.00 175.34 1uit s ARG 21 N 5.69 3.87 -0.55 4.56 1.70 0.05 -4.82 118.95 129.45 1uit s ARG 21 Ca 0.56 0.51 -0.13 0.00 -0.47 0.00 0.00 55.73 56.20 1uit s ARG 21 Cb -0.12 -2.45 0.14 0.00 -0.57 0.00 0.00 34.95 31.95 1uit s ARG 21 CO 0.25 0.09 0.48 -1.01 -1.08 0.00 0.00 175.30 174.04 1uit s HIS 22 N -2.13 3.36 -0.08 5.89 3.76 -1.26 -0.19 115.29 124.64 1uit s HIS 22 Ca 0.52 -1.58 -0.25 0.00 -0.15 0.00 0.00 55.06 53.60 1uit s HIS 22 Cb -0.10 -3.70 -0.03 0.00 1.11 0.00 0.00 32.58 29.86 1uit s HIS 22 CO 0.24 -1.00 0.78 0.08 -0.85 0.00 0.00 174.74 173.99 1uit s VAL 23 N 1.33 4.97 0.49 -0.90 1.01 0.43 -4.80 120.40 122.92 1uit s VAL 23 Ca 0.06 1.60 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 1uit s VAL 23 Cb -0.26 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 1uit s VAL 23 CO 0.00 0.18 0.75 -0.54 0.00 0.00 0.00 175.10 175.49 1uit s LYS 24 N 1.19 3.20 0.00 2.72 1.02 -1.26 0.11 119.74 126.72 1uit s LYS 24 Ca 0.40 -0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1uit s LYS 24 Cb -0.18 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1uit s LYS 24 CO 0.18 -0.33 -0.03 0.08 -0.92 0.00 0.00 175.35 174.33 1uit s VAL 25 N -2.70 0.24 -0.70 3.17 1.01 0.10 -4.67 120.40 116.85 1uit s VAL 25 Ca 0.49 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1uit s VAL 25 Cb -0.10 -0.24 0.25 0.00 0.00 0.00 0.00 36.38 36.29 1uit s VAL 25 CO 0.42 -0.02 0.83 0.00 0.00 0.00 0.00 175.10 176.32 1uit n GLN 26 N 2.75 2.75 0.00 2.72 6.02 -1.26 -1.97 117.38 128.40 1uit n GLN 26 Ca -0.14 -4.65 0.00 0.00 -0.01 0.00 0.00 57.00 52.19 1uit n GLN 26 Cb 0.58 -2.30 0.00 0.00 1.02 0.00 0.00 30.24 29.55 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 0.98 0.00 0.00 -1.09 4.01 0.53 -4.94 118.16 117.64 1uit n LYS 27 Ca 0.29 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.09 1uit n LYS 27 Cb 0.40 -0.02 0.00 0.00 -0.51 0.00 0.00 35.03 34.89 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 0.51 2.91 1.74 0.72 0.00 -1.07 -4.59 105.19 105.41 1uit n GLY 28 Ca 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.18 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 0.61 -0.92 -3.85 1.61 7.64 -1.26 -4.55 113.62 112.90 1uit n SER 29 Ca 0.00 -1.69 -0.09 0.00 1.01 0.00 0.00 58.87 58.09 1uit n SER 29 Cb 0.00 0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 1uit n SER 29 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1uit s GLU 30 N 0.06 0.81 0.94 1.43 1.03 -1.26 -5.17 118.70 116.54 1uit s GLU 30 Ca 0.04 -0.87 -0.13 0.00 0.03 0.00 0.00 54.97 54.03 1uit s GLU 30 Cb 0.19 0.33 0.16 0.00 -0.80 0.00 0.00 34.13 34.01 1uit s GLU 30 CO -0.06 -0.25 1.15 -1.25 -1.33 0.00 0.00 175.26 173.52 1uit s PRO 31 N -3.54 0.86 -0.01 -4.83 0.04 -1.26 -4.85 135.00 121.42 1uit s PRO 31 Ca 0.02 0.19 -0.23 0.00 0.04 0.00 0.00 61.00 61.03 1uit s PRO 31 Cb 0.03 -1.82 -0.14 0.00 0.04 0.00 0.00 34.50 32.62 1uit s PRO 31 CO -0.09 -2.36 0.99 1.25 0.04 0.00 0.00 177.00 176.83 1uit h LEU 32 N -1.62 -0.52 -1.81 -3.56 5.85 -1.92 -3.37 115.31 108.37 1uit h LEU 32 Ca -0.49 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.15 1uit h LEU 32 Cb 1.32 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.48 1uit h LEU 32 CO 0.57 -0.11 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 1uit n GLY 33 N -0.14 0.78 3.37 3.75 0.00 -1.26 -1.74 105.19 109.95 1uit n GLY 33 Ca -0.09 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.60 0.04 -0.07 -0.61 -4.36 -1.26 -0.83 121.20 111.50 1uit s ILE 34 Ca 0.00 -0.31 -0.02 0.00 -0.26 0.00 0.00 60.65 60.06 1uit s ILE 34 Cb 0.00 -0.98 -0.04 0.00 1.25 0.00 0.00 42.46 42.70 1uit s ILE 34 CO 0.00 -0.17 0.05 -0.55 0.24 0.00 0.00 174.94 174.51 1uit s SER 35 N -2.03 5.59 0.07 4.36 0.15 0.44 -4.94 113.70 117.34 1uit s SER 35 Ca -0.05 0.21 0.03 0.00 0.70 0.00 0.00 55.95 56.84 1uit s SER 35 Cb -0.01 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.64 1uit s SER 35 CO -0.03 0.35 -0.10 0.27 1.20 0.00 0.00 173.24 174.94 1uit s ILE 36 N -1.00 0.81 0.04 6.45 -5.25 -1.26 0.18 121.20 121.16 1uit s ILE 36 Ca 0.16 -1.41 0.02 0.00 -0.99 0.00 0.00 60.65 58.43 1uit s ILE 36 Cb -0.12 -1.07 -0.02 0.00 2.95 0.00 0.00 42.46 44.20 1uit s ILE 36 CO 0.06 -0.47 -0.07 0.68 -1.79 0.00 0.00 174.94 173.35 1uit s VAL 37 N -1.97 0.46 0.02 8.37 -7.23 0.47 -4.75 120.40 115.76 1uit s VAL 37 Ca -0.01 -1.06 -0.05 0.00 -1.81 0.00 0.00 61.98 59.05 1uit s VAL 37 Cb -0.06 -0.56 -0.05 0.00 0.56 0.00 0.00 36.38 36.28 1uit s VAL 37 CO 0.00 -0.41 0.24 -0.55 -0.31 0.00 0.00 175.10 174.07 1uit s SER 38 N -1.58 6.44 0.28 4.85 0.15 -1.26 -0.88 113.70 121.69 1uit s SER 38 Ca -0.11 0.47 0.02 0.00 0.70 0.00 0.00 55.95 57.02 1uit s SER 38 Cb -0.10 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1uit s SER 38 CO 0.00 0.23 0.45 -0.83 1.20 0.00 0.00 173.24 174.30 1uit s GLY 39 N -1.91 1.41 0.00 9.45 0.00 0.73 -4.97 107.32 112.04 1uit s GLY 39 Ca 0.29 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1uit s GLY 39 CO 0.19 -0.95 0.88 1.18 0.00 0.00 0.00 173.10 174.39 1uit n GLU 40 N -1.40 0.00 -0.34 2.90 1.02 -1.26 -0.39 120.64 121.17 1uit n GLU 40 Ca -0.06 0.88 -0.01 0.00 -0.02 0.00 0.00 57.16 57.95 1uit n GLU 40 Cb 0.56 -1.36 0.12 0.00 -0.02 0.00 0.00 31.44 30.74 1uit n GLU 40 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1uit h LYS 41 N 0.00 1.13 0.00 3.49 3.11 -2.03 -3.48 116.57 118.79 1uit h LYS 41 Ca 0.00 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1uit h LYS 41 Cb 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 30.98 1uit h LYS 41 CO 0.00 0.75 0.00 0.41 -2.81 0.00 0.00 179.45 177.80 1uit n GLY 42 N -1.35 -0.38 1.46 5.01 0.00 0.48 -5.12 105.19 105.28 1uit n GLY 42 Ca 0.12 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -3.36 3.29 -0.02 0.00 -1.13 -0.19 105.19 103.78 1uit n GLY 43 Ca 0.00 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.83 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 -4.65 1.85 -0.03 -0.61 -1.09 -1.25 -1.90 121.20 113.53 1uit s ILE 44 Ca 0.00 -1.26 -0.01 0.00 -2.23 0.00 0.00 60.65 57.16 1uit s ILE 44 Cb 0.00 -1.59 0.03 0.00 -1.58 0.00 0.00 42.46 39.31 1uit s ILE 44 CO 0.00 0.28 0.05 -0.31 -1.23 0.00 0.00 174.94 173.74 1uit s TYR 45 N -0.78 -0.02 0.25 3.97 1.51 -0.06 -2.90 117.35 119.31 1uit s TYR 45 Ca 0.09 0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 56.03 1uit s TYR 45 Cb -0.09 -0.15 -0.13 0.00 -0.11 0.00 0.00 41.96 41.48 1uit s TYR 45 CO 0.02 -0.09 1.52 0.28 -1.11 0.00 0.00 175.55 176.17 1uit n VAL 46 N 3.94 0.78 0.11 0.71 0.31 -1.21 -0.40 118.33 122.57 1uit n VAL 46 Ca -0.24 -0.19 0.07 0.00 -0.01 0.00 0.00 64.34 63.96 1uit n VAL 46 Cb 0.53 -1.69 -0.10 0.00 -0.91 0.00 0.00 33.84 31.66 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 2.46 1.60 -3.61 4.52 2.88 0.48 -2.98 113.62 118.97 1uit n SER 47 Ca 0.12 -0.15 -0.04 0.00 -1.33 0.00 0.00 58.87 57.47 1uit n SER 47 Cb 0.33 1.52 -0.03 0.00 -0.75 0.00 0.00 64.21 65.29 1uit n SER 47 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1uit s LYS 48 N -2.85 0.23 0.11 -1.46 2.20 -1.15 -4.90 119.74 111.93 1uit s LYS 48 Ca -0.03 -0.05 0.06 0.00 -0.36 0.00 0.00 55.97 55.58 1uit s LYS 48 Cb 0.09 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1uit s LYS 48 CO 0.58 -0.09 -0.14 0.08 -0.36 0.00 0.00 175.35 175.41 1uit s VAL 49 N -1.95 1.28 -0.26 4.02 1.01 -1.26 0.17 120.40 123.40 1uit s VAL 49 Ca 0.09 -1.67 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 1uit s VAL 49 Cb -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1uit s VAL 49 CO -0.04 -0.41 0.10 -0.89 0.00 0.00 0.00 175.10 173.86 1uit s THR 50 N -2.07 4.54 0.18 3.92 2.01 -0.01 -4.95 115.64 119.25 1uit s THR 50 Ca 0.07 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 1uit s THR 50 Cb -0.05 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 1uit s THR 50 CO 0.03 0.28 1.34 -0.69 -0.69 0.00 0.00 174.62 174.89 1uit s VAL 51 N 1.64 3.18 0.00 3.82 1.01 -1.26 -1.97 120.40 126.81 1uit s VAL 51 Ca 0.06 0.94 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1uit s VAL 51 Cb -0.16 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1uit s VAL 51 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1uit n GLY 52 N 2.60 2.79 3.84 4.51 0.00 -1.26 -5.01 105.19 112.66 1uit n GLY 52 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.71 5.56 0.10 1.61 0.01 -0.83 -4.76 113.70 113.68 1uit s SER 53 Ca 0.00 1.48 -0.20 0.00 1.31 0.00 0.00 55.95 58.54 1uit s SER 53 Cb 0.00 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1uit s SER 53 CO 0.00 -1.31 1.23 -0.38 0.41 0.00 0.00 173.24 173.19 1uit n ILE 54 N -3.03 -0.43 -0.07 1.44 2.08 -1.11 -0.76 119.36 117.48 1uit n ILE 54 Ca 0.07 1.91 -0.02 0.00 0.56 0.00 0.00 62.75 65.27 1uit n ILE 54 Cb 0.54 -2.40 -0.02 0.00 -0.75 0.00 0.00 39.64 37.02 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 -0.11 -0.34 -1.39 0.00 -0.71 0.88 120.51 115.64 1uit n ALA 55 Ca 0.01 0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.64 1uit n ALA 55 Cb 0.16 0.33 0.11 0.00 0.00 0.00 0.00 19.45 20.06 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 -3.30 0.27 -0.13 0.00 -0.00 0.06 0.17 115.22 112.29 1uit n HIS 56 Ca 0.00 1.14 -0.06 0.00 -0.00 0.00 0.00 57.72 58.80 1uit n HIS 56 Cb 0.04 -1.00 0.03 0.00 -0.00 0.00 0.00 29.99 29.06 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 0.37 -0.23 1.57 4.20 0.19 -0.20 115.11 121.00 1uit h GLN 57 Ca 0.42 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.12 1uit h GLN 57 Cb 0.65 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1uit h GLN 57 CO -0.95 0.25 0.16 0.00 -0.67 0.00 0.00 178.83 177.61 1uit h ALA 58 N 1.24 1.90 -0.02 3.87 0.00 0.64 -3.46 119.26 123.42 1uit h ALA 58 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1uit h ALA 58 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1uit h ALA 58 CO -0.15 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1uit n GLY 59 N -1.52 1.30 3.93 0.00 0.00 0.12 -4.81 105.19 104.22 1uit n GLY 59 Ca 0.01 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.02 2.73 0.21 0.99 1.43 -1.10 -5.01 118.68 117.91 1uit s LEU 60 Ca 0.00 0.29 -0.22 0.00 -1.03 0.00 0.00 54.13 53.17 1uit s LEU 60 Cb 0.00 -2.53 0.07 0.00 0.03 0.00 0.00 46.19 43.75 1uit s LEU 60 CO 0.00 -2.32 0.96 -1.83 0.23 0.00 0.00 176.35 173.39 1uit s GLU 61 N -5.64 1.44 0.37 1.70 -1.05 -1.26 -4.77 118.70 109.49 1uit s GLU 61 Ca 0.69 -0.88 -0.15 0.00 -0.15 0.00 0.00 54.97 54.48 1uit s GLU 61 Cb -0.06 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 33.98 1uit s GLU 61 CO 0.50 -0.67 0.80 -0.47 0.95 0.00 0.00 175.26 176.37 1uit s TYR 62 N -2.69 3.39 0.00 4.83 6.14 -1.26 -3.72 117.35 124.04 1uit s TYR 62 Ca 0.17 1.26 0.00 0.00 0.64 0.00 0.00 57.07 59.14 1uit s TYR 62 Cb -0.03 -2.59 0.00 0.00 0.42 0.00 0.00 41.96 39.77 1uit s TYR 62 CO 0.05 -0.02 0.00 0.41 0.64 0.00 0.00 175.55 176.63 1uit n GLY 63 N -0.70 1.69 3.63 8.97 0.00 -1.16 -4.96 105.19 112.65 1uit n GLY 63 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.29 6.64 -0.37 1.61 1.11 -1.24 -4.27 116.67 116.86 1uit s ASP 64 Ca 0.00 1.17 -0.29 0.00 0.18 0.00 0.00 52.55 53.61 1uit s ASP 64 Cb 0.00 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1uit s ASP 64 CO 0.00 -1.11 1.17 -1.58 1.18 0.00 0.00 175.17 174.83 1uit s GLN 65 N 4.24 3.89 -0.05 8.23 0.74 -1.26 -3.32 119.66 132.13 1uit s GLN 65 Ca 0.57 0.95 -0.30 0.00 0.05 0.00 0.00 55.36 56.63 1uit s GLN 65 Cb -0.16 -3.84 -0.02 0.00 1.10 0.00 0.00 33.01 30.08 1uit s GLN 65 CO 0.24 -1.15 1.04 -0.51 -0.55 0.00 0.00 175.29 174.36 1uit s LEU 66 N 4.20 4.30 -0.18 3.68 1.43 -1.14 -1.80 118.68 129.17 1uit s LEU 66 Ca 0.50 1.65 -0.15 0.00 -1.03 0.00 0.00 54.13 55.10 1uit s LEU 66 Cb -0.12 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1uit s LEU 66 CO 0.23 -0.40 -0.24 0.18 0.23 0.00 0.00 176.35 176.35 1uit n LEU 67 N 4.57 1.89 -4.44 1.79 4.77 0.53 -3.40 117.00 122.72 1uit n LEU 67 Ca 0.08 0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 56.27 1uit n LEU 67 Cb 0.49 -0.81 -0.08 0.00 -2.33 0.00 0.00 43.42 40.68 1uit n LEU 67 CO 0.53 -0.18 -0.17 -1.61 -1.33 0.00 0.00 177.39 174.62 1uit s GLU 68 N -2.59 1.85 -0.31 3.23 2.02 -1.20 0.72 118.70 122.43 1uit s GLU 68 Ca -0.26 -2.11 0.03 0.00 0.02 0.00 0.00 54.97 52.65 1uit s GLU 68 Cb 0.05 -0.31 0.16 0.00 0.10 0.00 0.00 34.13 34.13 1uit s GLU 68 CO 0.38 -0.52 0.42 0.12 0.02 0.00 0.00 175.26 175.68 1uit s PHE 69 N -3.31 -0.98 -1.64 1.61 2.19 0.12 -2.23 117.98 113.73 1uit s PHE 69 Ca 0.29 0.17 0.00 0.00 0.33 0.00 0.00 56.93 57.73 1uit s PHE 69 Cb 0.03 -0.15 0.00 0.00 -1.31 0.00 0.00 43.02 41.59 1uit s PHE 69 CO 0.18 -1.00 0.00 0.09 1.83 0.00 0.00 175.22 176.32 1uit n ASN 70 N 5.14 -5.24 0.00 6.13 3.02 0.22 -0.54 115.26 123.99 1uit n ASN 70 Ca 0.03 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1uit n ASN 70 Cb 0.49 -4.31 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1uit n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uit n GLY 71 N -0.09 0.82 3.70 7.41 0.00 -1.26 -4.93 105.19 110.84 1uit n GLY 71 Ca -0.15 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1uit n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uit s ILE 72 N -0.72 2.30 -0.41 -0.61 1.01 0.30 -4.98 121.20 118.08 1uit s ILE 72 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.69 1uit s ILE 72 Cb 0.00 -2.35 0.09 0.00 0.01 0.00 0.00 42.46 40.21 1uit s ILE 72 CO 0.00 -0.12 0.24 0.21 0.00 0.00 0.00 174.94 175.27 1uit s ASN 73 N -2.60 5.50 0.25 3.58 3.84 -1.26 0.11 114.94 124.37 1uit s ASN 73 Ca 0.68 -1.64 0.19 0.00 0.21 0.00 0.00 52.86 52.30 1uit s ASN 73 Cb -0.24 -1.93 0.07 0.00 -0.55 0.00 0.00 41.25 38.60 1uit s ASN 73 CO 0.54 -0.53 1.26 -0.07 -2.79 0.00 0.00 177.10 175.51 1uit h LEU 74 N 8.30 0.00 -2.31 3.21 3.38 0.05 -1.83 115.31 126.11 1uit h LEU 74 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1uit h LEU 74 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1uit h LEU 74 CO 0.74 0.30 0.23 -0.09 0.09 0.00 0.00 178.44 179.71 1uit h ARG 75 N 0.00 0.00 0.00 1.13 1.12 -0.76 -2.63 114.38 113.24 1uit h ARG 75 Ca -0.04 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.81 1uit h ARG 75 Cb 1.26 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1uit h ARG 75 CO 0.03 0.00 -1.07 0.43 -3.11 0.00 0.00 179.97 176.25 1uit n SER 76 N -2.95 4.19 -4.08 -3.80 7.64 -1.23 -2.82 113.62 110.58 1uit n SER 76 Ca -0.02 -0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.49 1uit n SER 76 Cb 0.28 0.16 0.06 0.00 -1.01 0.00 0.00 64.21 63.71 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uit n ALA 77 N -2.37 -5.13 -2.88 -0.43 0.00 -0.69 -4.59 120.51 104.42 1uit n ALA 77 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1uit n ALA 77 Cb 0.53 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.21 0.00 0.09 0.00 -2.24 -1.26 -4.42 114.28 103.23 1uit n THR 78 Ca -0.01 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 1uit n THR 78 Cb 0.64 -0.91 -0.15 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.35 -0.23 -0.78 4.11 -1.92 -1.47 114.58 114.64 1uit h GLU 79 Ca 0.00 -0.60 -0.17 0.00 0.07 0.00 0.00 59.36 58.66 1uit h GLU 79 Cb 0.00 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1uit h GLU 79 CO 0.00 1.25 -0.53 -0.56 0.07 0.00 0.00 179.01 179.24 1uit h GLN 80 N 0.10 0.68 0.05 1.06 -0.00 -1.96 0.44 115.11 115.48 1uit h GLN 80 Ca -0.27 -0.42 -0.26 0.00 -0.00 0.00 0.00 58.65 57.71 1uit h GLN 80 Cb 2.07 0.04 0.01 0.00 -0.00 0.00 0.00 27.48 29.60 1uit h GLN 80 CO 0.19 1.03 -1.08 1.96 -0.00 0.00 0.00 178.83 180.94 1uit h GLN 81 N 0.52 0.46 -0.42 0.06 4.20 -1.96 -3.09 115.11 114.88 1uit h GLN 81 Ca 0.02 -0.57 -0.10 0.00 0.06 0.00 0.00 58.65 58.05 1uit h GLN 81 Cb 1.09 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1uit h GLN 81 CO 0.11 1.21 -0.14 0.00 -0.67 0.00 0.00 178.83 179.34 1uit h ALA 82 N 0.58 0.59 0.00 3.87 0.00 -1.22 0.46 119.26 123.53 1uit h ALA 82 Ca -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1uit h ALA 82 Cb 1.74 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1uit h ALA 82 CO 0.19 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.49 1uit n ARG 83 N -4.26 0.06 -0.11 0.00 1.74 0.14 -1.47 116.66 112.76 1uit n ARG 83 Ca -0.01 0.43 -0.19 0.00 -0.77 0.00 0.00 57.85 57.31 1uit n ARG 83 Cb 0.40 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.76 1.86 -0.25 0.55 -0.00 -0.74 -3.49 117.00 113.17 1uit n LEU 84 Ca 0.01 0.32 0.05 0.00 -0.00 0.00 0.00 56.01 56.39 1uit n LEU 84 Cb 0.10 -0.74 0.15 0.00 -0.00 0.00 0.00 43.42 42.93 1uit n LEU 84 CO 0.10 0.15 0.84 0.40 -0.00 0.00 0.00 177.39 178.88 1uit h ILE 85 N -0.94 0.38 -0.11 1.47 2.04 0.04 0.91 117.51 121.31 1uit h ILE 85 Ca -0.36 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1uit h ILE 85 Cb 1.28 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1uit h ILE 85 CO -0.22 0.02 -0.44 0.16 0.00 0.00 0.00 178.15 177.68 1uit h ILE 86 N 0.12 1.32 -0.46 -0.67 3.07 -1.49 -2.83 117.51 116.58 1uit h ILE 86 Ca 0.40 -1.59 -0.29 0.00 1.55 0.00 0.00 64.86 64.93 1uit h ILE 86 Cb 0.70 1.73 -0.13 0.00 -0.27 0.00 0.00 36.82 38.84 1uit h ILE 86 CO -0.63 0.48 0.37 0.61 -1.05 0.00 0.00 178.15 177.93 1uit n GLY 87 N -0.11 3.78 1.52 0.16 0.00 0.31 -4.14 105.19 106.72 1uit n GLY 87 Ca -0.02 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.02 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 0.21 0.99 -4.04 1.61 6.02 -0.58 -4.90 117.38 116.70 1uit n GLN 88 Ca 0.28 -1.29 -0.32 0.00 -0.01 0.00 0.00 57.00 55.66 1uit n GLN 88 Cb 0.71 0.01 -0.06 0.00 1.02 0.00 0.00 30.24 31.92 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 -2.97 3.13 0.00 -1.09 1.03 -1.26 -4.88 119.66 113.61 1uit s GLN 89 Ca 0.19 -0.50 0.00 0.00 0.04 0.00 0.00 55.36 55.09 1uit s GLN 89 Cb -0.01 -2.89 0.00 0.00 0.03 0.00 0.00 33.01 30.13 1uit s GLN 89 CO 0.12 0.63 0.00 0.00 -2.54 0.00 0.00 175.29 173.50 1uit h ASP 91 N 0.00 0.12 -3.25 0.00 3.32 -1.93 -3.32 116.42 111.37 1uit h ASP 91 Ca 0.00 0.16 -0.47 0.00 0.02 0.00 0.00 57.03 56.74 1uit h ASP 91 Cb 0.00 0.19 -0.39 0.00 0.22 0.00 0.00 39.33 39.35 1uit h ASP 91 CO 0.00 -0.04 -0.77 -0.89 -1.72 0.00 0.00 179.24 175.82 1uit s THR 92 N -5.97 0.49 -0.00 0.35 2.01 -1.26 -0.35 115.64 110.90 1uit s THR 92 Ca -0.12 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 61.80 1uit s THR 92 Cb 0.24 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.98 1uit s THR 92 CO 0.77 0.12 -0.19 -0.51 -0.69 0.00 0.00 174.62 174.12 1uit s ILE 93 N 1.91 1.49 0.15 1.82 -1.16 -0.83 -4.97 121.20 119.61 1uit s ILE 93 Ca 0.03 -0.87 -0.01 0.00 -0.51 0.00 0.00 60.65 59.29 1uit s ILE 93 Cb -0.14 -1.25 -0.04 0.00 0.61 0.00 0.00 42.46 41.64 1uit s ILE 93 CO -0.06 0.37 0.34 -0.89 -2.81 0.00 0.00 174.94 171.88 1uit s THR 94 N -0.51 5.25 0.02 4.00 2.01 -1.26 0.01 115.64 125.15 1uit s THR 94 Ca 0.07 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1uit s THR 94 Cb -0.07 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 1uit s THR 94 CO -0.00 -0.05 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.20 1uit s ILE 95 N -1.73 0.38 -0.35 1.82 1.01 0.30 0.73 121.20 123.37 1uit s ILE 95 Ca 0.38 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1uit s ILE 95 Cb -0.12 -0.39 0.08 0.00 0.01 0.00 0.00 42.46 42.03 1uit s ILE 95 CO 0.28 -0.14 0.09 -0.22 0.00 0.00 0.00 174.94 174.94 1uit s LEU 96 N -0.78 4.50 0.47 2.97 0.20 -0.94 0.16 118.68 125.26 1uit s LEU 96 Ca -0.04 -1.61 0.07 0.00 0.69 0.00 0.00 54.13 53.24 1uit s LEU 96 Cb -0.05 -1.76 0.01 0.00 -0.43 0.00 0.00 46.19 43.95 1uit s LEU 96 CO -0.00 -0.38 0.43 0.00 -0.29 0.00 0.00 176.35 176.11 1uit s ALA 97 N 1.20 4.24 -0.46 5.97 0.00 0.74 0.20 121.76 133.65 1uit s ALA 97 Ca 0.01 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.27 1uit s ALA 97 Cb -0.21 -0.96 0.21 0.00 0.00 0.00 0.00 23.12 22.17 1uit s ALA 97 CO -0.02 -0.37 0.89 0.94 0.00 0.00 0.00 175.76 177.20 1uit n GLN 98 N -1.69 0.44 -1.59 0.00 7.27 -0.74 -0.77 117.38 120.30 1uit n GLN 98 Ca 0.03 -1.57 -0.57 0.00 0.07 0.00 0.00 57.00 54.96 1uit n GLN 98 Cb 0.63 -0.98 -0.07 0.00 2.41 0.00 0.00 30.24 32.22 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 2.49 1.27 -3.99 3.69 4.19 -1.26 -4.10 117.16 119.46 1uit n TYR 99 Ca 0.13 0.85 -0.30 0.00 3.31 0.00 0.00 57.90 61.89 1uit n TYR 99 Cb 0.61 -2.24 -0.16 0.00 0.49 0.00 0.00 39.34 38.03 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 0.96 3.36 -0.57 2.98 2.47 -1.26 -3.92 114.94 118.97 1uit s ASN 100 Ca 0.91 -0.88 -0.06 0.00 0.42 0.00 0.00 52.86 53.26 1uit s ASN 100 Cb -1.15 -1.22 -0.14 0.00 -1.45 0.00 0.00 41.25 37.29 1uit s ASN 100 CO 0.57 -0.15 2.67 -0.81 -3.72 0.00 0.00 177.10 175.67 1uit n PRO 101 N 4.69 2.10 -2.71 0.43 -0.04 -1.26 -3.81 135.00 134.40 1uit n PRO 101 Ca -0.15 -1.23 -0.08 0.00 -0.04 0.00 0.00 63.50 62.01 1uit n PRO 101 Cb 0.47 -2.21 0.10 0.00 -0.04 0.00 0.00 33.50 31.82 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 -2.64 -3.49 0.54 -0.00 -1.26 -5.10 115.22 106.50 1uit n HIS 102 Ca 0.45 -2.00 0.00 0.00 -0.00 0.00 0.00 57.72 56.17 1uit n HIS 102 Cb 0.45 1.62 -0.05 0.00 -0.00 0.00 0.00 29.99 32.01 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 0.23 -0.34 -0.29 3.57 0.11 -1.25 -5.16 120.40 117.27 1uit s VAL 103 Ca 0.22 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.11 1uit s VAL 103 Cb 0.34 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.34 1uit s VAL 103 CO -0.07 0.00 0.98 -2.28 -3.33 0.00 0.00 175.10 170.40 1uit s HIS 104 N 2.08 -0.57 -0.25 1.54 2.46 -1.26 -4.95 115.29 114.35 1uit s HIS 104 Ca -0.05 1.12 0.02 0.00 0.47 0.00 0.00 55.06 56.62 1uit s HIS 104 Cb -0.05 0.34 0.06 0.00 -0.13 0.00 0.00 32.58 32.80 1uit s HIS 104 CO -0.17 -0.28 -0.07 -0.65 -2.47 0.00 0.00 174.74 171.10 1uit s GLN 105 N 1.44 1.89 -0.30 2.88 -0.21 -1.26 -5.06 119.66 119.04 1uit s GLN 105 Ca -0.08 -1.19 -0.13 0.00 0.02 0.00 0.00 55.36 53.97 1uit s GLN 105 Cb -0.04 -2.74 0.16 0.00 1.00 0.00 0.00 33.01 31.39 1uit s GLN 105 CO -0.15 -0.60 0.93 -1.17 -2.12 0.00 0.00 175.29 172.18 1uit s LEU 106 N 1.24 -0.68 -0.30 2.90 2.96 -1.26 -5.14 118.68 118.41 1uit s LEU 106 Ca -0.07 0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 54.63 1uit s LEU 106 Cb -0.19 1.74 0.03 0.00 0.50 0.00 0.00 46.19 48.26 1uit s LEU 106 CO -0.06 -0.13 0.05 -0.94 -1.32 0.00 0.00 176.35 173.96 1uit s SER 107 N 2.58 5.03 -0.30 3.68 1.04 -1.26 -5.04 113.70 119.43 1uit s SER 107 Ca -0.01 -0.96 -0.16 0.00 0.48 0.00 0.00 55.95 55.29 1uit s SER 107 Cb -0.08 -1.82 0.19 0.00 0.10 0.00 0.00 66.02 64.42 1uit s SER 107 CO -0.17 -0.24 1.19 -0.55 0.98 0.00 0.00 173.24 174.45 1uit s SER 108 N 1.40 -0.18 0.79 7.02 0.15 -1.26 -5.18 113.70 116.44 1uit s SER 108 Ca -0.00 0.30 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 1uit s SER 108 Cb -0.18 1.05 0.14 0.00 -1.71 0.00 0.00 66.02 65.32 1uit s SER 108 CO 0.01 -0.05 1.08 -2.28 1.20 0.00 0.00 173.24 173.21 1uit s HIS 109 N 1.09 1.70 0.39 3.44 2.46 -1.26 -5.12 115.29 117.99 1uit s HIS 109 Ca -0.08 -0.05 0.03 0.00 0.47 0.00 0.00 55.06 55.43 1uit s HIS 109 Cb -0.03 -3.32 -0.04 0.00 -0.13 0.00 0.00 32.58 29.07 1uit s HIS 109 CO -0.11 -1.94 0.09 -1.12 -2.47 0.00 0.00 174.74 169.19 1uit s SER 110 N -4.76 2.80 0.13 9.88 0.01 -1.26 -5.17 113.70 115.32 1uit s SER 110 Ca 0.68 -1.57 0.03 0.00 1.31 0.00 0.00 55.95 56.40 1uit s SER 110 Cb -0.05 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 1uit s SER 110 CO 0.47 -0.81 -0.09 0.00 0.41 0.00 0.00 173.24 173.22 1uit s ARG 111 N -3.79 0.96 -0.31 12.44 1.04 -1.26 -5.10 118.95 122.94 1uit s ARG 111 Ca 0.26 -1.39 -0.29 0.00 -1.04 0.00 0.00 55.73 53.28 1uit s ARG 111 Cb 0.05 -0.47 -0.01 0.00 -2.04 0.00 0.00 34.95 32.47 1uit s ARG 111 CO 0.14 0.04 1.65 -1.12 -0.04 0.00 0.00 175.30 175.97 1uit s SER 112 N -3.06 6.17 1.38 -2.89 0.01 -1.26 -4.98 113.70 109.06 1uit s SER 112 Ca 0.14 1.32 -0.20 0.00 1.31 0.00 0.00 55.95 58.52 1uit s SER 112 Cb 0.03 -2.53 0.32 0.00 0.21 0.00 0.00 66.02 64.04 1uit s SER 112 CO -0.01 -1.48 0.71 0.61 0.41 0.00 0.00 173.24 173.48 1uit n GLY 113 N 5.07 -3.80 0.08 3.44 0.00 -1.26 -4.97 105.19 103.75 1uit n GLY 113 Ca 0.20 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.06 -1.74 1.61 0.13 -2.09 -3.50 132.00 126.35 1uit h PRO 114 Ca -0.32 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.99 1uit h PRO 114 Cb 1.09 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.14 1uit h PRO 114 CO 0.19 0.58 -0.61 0.45 -0.23 0.00 0.00 178.00 178.39 1uit n SER 115 N -4.78 -3.99 -4.31 1.44 2.88 -1.26 -5.03 113.62 98.57 1uit n SER 115 Ca -0.08 0.69 -0.16 0.00 -1.33 0.00 0.00 58.87 57.99 1uit n SER 115 Cb 0.33 -2.46 -0.10 0.00 -0.75 0.00 0.00 64.21 61.23 1uit n SER 115 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uit s SER 116 N -5.73 1.69 0.00 -3.46 1.04 -1.26 -5.32 113.70 100.66 1uit s SER 116 Ca 0.00 -1.20 0.27 0.00 0.48 0.00 0.00 55.95 55.51 1uit s SER 116 Cb 0.00 0.03 1.64 0.00 0.10 0.00 0.00 66.02 67.79 1uit s SER 116 CO 0.00 -0.52 1.99 0.61 0.98 0.00 0.00 173.24 176.30