#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 3.73 0.24 1.61 0.01 -1.26 -5.00 113.70 113.03 1uit s SER 2 Ca 0.00 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1uit s SER 2 Cb 0.00 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.09 1uit s SER 2 CO 0.00 -2.47 0.00 -0.24 0.41 0.00 0.00 173.24 170.94 1uit n SER 3 N -3.77 -0.06 -3.62 2.44 2.88 -1.26 -5.13 113.62 105.11 1uit n SER 3 Ca 0.07 0.40 -0.02 0.00 -1.33 0.00 0.00 58.87 58.00 1uit n SER 3 Cb 0.55 0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 64.25 1uit n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uit s GLY 4 N -4.92 0.02 0.21 0.46 0.00 -1.26 -5.07 107.32 96.76 1uit s GLY 4 Ca 0.00 3.18 0.00 0.00 0.00 0.00 0.00 44.72 47.90 1uit s GLY 4 CO 0.00 2.67 0.00 1.44 0.00 0.00 0.00 173.10 177.21 1uit n SER 5 N 3.80 0.11 -3.59 1.64 7.64 -1.26 -5.04 113.62 116.92 1uit n SER 5 Ca -0.17 0.35 -0.29 0.00 1.01 0.00 0.00 58.87 59.76 1uit n SER 5 Cb 0.57 0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.83 1uit n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uit s SER 6 N -5.20 3.55 0.00 6.43 0.15 -1.26 -5.00 113.70 112.36 1uit s SER 6 Ca 0.00 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 54.97 1uit s SER 6 Cb 0.00 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1uit s SER 6 CO 0.00 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1uit n GLY 7 N 4.75 -0.14 0.00 9.45 0.00 -1.26 -5.13 105.19 112.86 1uit n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.80 -1.31 3.86 -0.02 0.00 -1.26 -5.13 105.19 104.13 1uit n GLY 8 Ca 0.00 0.47 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 1uit n GLY 8 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uit s GLU 9 N 0.00 3.26 0.02 1.61 2.02 -1.26 -5.11 118.70 119.24 1uit s GLU 9 Ca 0.00 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.53 1uit s GLU 9 Cb 0.00 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.25 1uit s GLU 9 CO 0.00 0.62 -0.04 1.03 0.02 0.00 0.00 175.26 176.90 1uit s ARG 10 N -2.20 0.31 -0.77 1.61 1.81 -1.26 -5.10 118.95 113.35 1uit s ARG 10 Ca 0.30 -0.48 -0.04 0.00 -1.72 0.00 0.00 55.73 53.78 1uit s ARG 10 Cb -0.13 -0.05 0.19 0.00 -0.45 0.00 0.00 34.95 34.52 1uit s ARG 10 CO 0.22 -0.00 0.63 1.03 -0.68 0.00 0.00 175.30 176.50 1uit s ARG 11 N -1.07 3.02 0.16 3.54 3.00 -1.26 -5.06 118.95 121.29 1uit s ARG 11 Ca -0.10 -2.82 -0.32 0.00 0.00 0.00 0.00 55.73 52.49 1uit s ARG 11 Cb -0.07 -3.94 -0.17 0.00 0.00 0.00 0.00 34.95 30.77 1uit s ARG 11 CO -0.00 -1.23 0.87 1.63 0.00 0.00 0.00 175.30 176.57 1uit n LYS 12 N 3.10 0.45 -3.67 3.54 4.01 -1.26 -4.96 118.16 119.37 1uit n LYS 12 Ca 0.14 0.16 -0.09 0.00 -0.51 0.00 0.00 58.31 58.01 1uit n LYS 12 Cb 0.39 -1.44 -0.10 0.00 -0.51 0.00 0.00 35.03 33.37 1uit n LYS 12 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1uit s ASP 13 N -0.47 -0.48 0.44 4.39 -1.08 -1.26 -5.10 116.67 113.11 1uit s ASP 13 Ca 0.72 1.02 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 1uit s ASP 13 Cb -0.96 1.14 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 1uit s ASP 13 CO 0.56 -0.21 0.00 0.54 0.52 0.00 0.00 175.17 176.57 1uit n ARG 14 N 4.78 -4.47 0.25 4.34 1.74 -1.26 -4.74 116.66 117.30 1uit n ARG 14 Ca -0.16 3.29 0.14 0.00 -0.77 0.00 0.00 57.85 60.35 1uit n ARG 14 Cb 0.53 -3.67 0.42 0.00 -1.02 0.00 0.00 32.46 28.72 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 2.00 0.00 0.00 5.56 0.13 -2.05 -3.46 132.00 134.18 1uit h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uit h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1uit h PRO 15 CO 0.00 0.02 0.00 0.98 -0.23 0.00 0.00 178.00 178.77 1uit n TYR 16 N -3.11 0.00 -3.55 1.56 9.36 -1.26 -4.59 117.16 115.57 1uit n TYR 16 Ca 0.02 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.13 1uit n TYR 16 Cb 0.42 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.09 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1uit s VAL 17 N 0.00 0.00 -0.46 2.97 0.11 -1.26 -5.06 120.40 116.71 1uit s VAL 17 Ca 0.00 0.00 -0.36 0.00 -2.93 0.00 0.00 61.98 58.69 1uit s VAL 17 Cb 0.00 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.71 1uit s VAL 17 CO 0.00 0.00 2.25 -0.62 -3.33 0.00 0.00 175.10 173.40 1uit n GLU 18 N 0.53 0.72 -1.00 1.54 -0.58 -1.24 -4.83 120.64 115.78 1uit n GLU 18 Ca -0.12 0.18 -0.36 0.00 -0.42 0.00 0.00 57.16 56.44 1uit n GLU 18 Cb 0.59 -2.21 0.05 0.00 -0.57 0.00 0.00 31.44 29.29 1uit n GLU 18 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1uit n GLU 19 N 8.13 -0.02 -2.54 3.49 1.02 -1.26 -4.17 120.64 125.28 1uit n GLU 19 Ca 0.47 -0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.25 1uit n GLU 19 Cb 0.17 -1.09 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.10 3.94 0.26 3.49 0.04 -1.26 -4.60 135.00 134.75 1uit s PRO 20 Ca 0.43 1.42 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1uit s PRO 20 Cb -0.20 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 32.02 1uit s PRO 20 CO 0.80 -0.32 -0.07 -0.98 0.04 0.00 0.00 177.00 176.47 1uit s ARG 21 N -2.96 1.47 -0.34 4.56 1.70 0.04 -4.99 118.95 118.44 1uit s ARG 21 Ca 0.64 -1.72 0.01 0.00 -0.47 0.00 0.00 55.73 54.18 1uit s ARG 21 Cb -0.18 -1.07 0.09 0.00 -0.57 0.00 0.00 34.95 33.21 1uit s ARG 21 CO 0.23 0.05 0.05 -1.01 -1.08 0.00 0.00 175.30 173.54 1uit s HIS 22 N -3.06 3.55 -0.28 5.89 3.76 -1.26 -1.95 115.29 121.95 1uit s HIS 22 Ca 0.28 -2.56 -0.11 0.00 -0.15 0.00 0.00 55.06 52.52 1uit s HIS 22 Cb 0.03 -2.69 -0.05 0.00 1.11 0.00 0.00 32.58 30.98 1uit s HIS 22 CO 0.10 -0.92 0.19 0.08 -0.85 0.00 0.00 174.74 173.34 1uit s VAL 23 N 1.05 5.31 0.53 -0.90 1.01 0.18 -4.89 120.40 122.70 1uit s VAL 23 Ca 0.04 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1uit s VAL 23 Cb -0.20 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1uit s VAL 23 CO -0.05 0.25 0.96 -0.54 0.00 0.00 0.00 175.10 175.72 1uit s LYS 24 N 1.73 3.79 -0.01 2.72 1.02 -1.26 -0.64 119.74 127.09 1uit s LYS 24 Ca 0.07 0.77 0.02 0.00 0.02 0.00 0.00 55.97 56.85 1uit s LYS 24 Cb -0.16 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1uit s LYS 24 CO 0.11 -0.33 -0.06 0.08 -0.92 0.00 0.00 175.35 174.23 1uit s VAL 25 N -2.77 0.50 -0.83 3.17 1.01 0.18 -4.58 120.40 117.08 1uit s VAL 25 Ca 0.56 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1uit s VAL 25 Cb -0.10 -0.45 0.26 0.00 0.00 0.00 0.00 36.38 36.09 1uit s VAL 25 CO 0.39 0.16 0.97 0.00 0.00 0.00 0.00 175.10 176.62 1uit n GLN 26 N 3.22 3.12 0.00 2.72 6.02 -1.26 -1.64 117.38 129.56 1uit n GLN 26 Ca -0.16 -4.60 0.00 0.00 -0.01 0.00 0.00 57.00 52.23 1uit n GLN 26 Cb 0.56 -2.37 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 1.17 -1.01 0.00 0.00 177.06 177.22 1uit n LYS 27 N 1.32 0.00 0.00 -1.09 3.00 -0.34 -4.89 118.16 116.16 1uit n LYS 27 Ca 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 1uit n LYS 27 Cb 0.38 -0.83 0.00 0.00 0.00 0.00 0.00 35.03 34.57 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 -0.35 2.53 1.35 3.14 0.00 -1.06 -4.14 105.19 106.66 1uit n GLY 28 Ca 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 1uit n GLY 28 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uit n SER 29 N 3.16 -0.57 -4.10 1.61 3.41 -1.26 -4.65 113.62 111.22 1uit n SER 29 Ca 0.00 -1.23 -0.08 0.00 -0.26 0.00 0.00 58.87 57.30 1uit n SER 29 Cb 0.00 0.22 -0.10 0.00 -0.26 0.00 0.00 64.21 64.07 1uit n SER 29 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1uit s GLU 30 N 0.03 0.64 0.81 4.33 0.41 -1.26 -5.16 118.70 118.50 1uit s GLU 30 Ca 0.02 -1.20 -0.12 0.00 -0.41 0.00 0.00 54.97 53.26 1uit s GLU 30 Cb 0.10 0.10 0.07 0.00 -1.78 0.00 0.00 34.13 32.62 1uit s GLU 30 CO -0.03 -0.08 1.10 -1.25 -0.49 0.00 0.00 175.26 174.51 1uit s PRO 31 N -3.71 2.02 0.00 0.39 0.04 -1.26 -4.85 135.00 127.63 1uit s PRO 31 Ca 0.06 0.61 -0.24 0.00 0.04 0.00 0.00 61.00 61.48 1uit s PRO 31 Cb 0.06 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.55 1uit s PRO 31 CO -0.08 -1.66 0.99 1.25 0.04 0.00 0.00 177.00 177.54 1uit h LEU 32 N -1.12 -0.71 -1.64 -3.56 5.85 -1.94 -3.33 115.31 108.85 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 0.59 -0.32 0.00 0.61 -0.34 0.00 0.00 178.44 178.99 1uit n GLY 33 N -0.38 0.79 3.29 3.75 0.00 -1.26 -1.55 105.19 109.83 1uit n GLY 33 Ca -0.11 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.49 0.03 -0.02 -0.61 -4.36 -1.26 0.22 121.20 112.69 1uit s ILE 34 Ca 0.00 -0.22 -0.03 0.00 -0.26 0.00 0.00 60.65 60.14 1uit s ILE 34 Cb 0.00 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 43.04 1uit s ILE 34 CO 0.00 -0.12 0.15 -0.55 0.24 0.00 0.00 174.94 174.66 1uit s SER 35 N -0.65 6.20 0.06 4.36 0.15 0.27 -4.96 113.70 119.13 1uit s SER 35 Ca -0.07 0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.91 1uit s SER 35 Cb -0.04 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.32 1uit s SER 35 CO 0.03 0.29 -0.07 0.27 1.20 0.00 0.00 173.24 174.96 1uit s ILE 36 N -1.25 0.52 0.07 6.45 -5.25 -1.26 0.12 121.20 120.60 1uit s ILE 36 Ca 0.24 -1.42 0.03 0.00 -0.99 0.00 0.00 60.65 58.52 1uit s ILE 36 Cb -0.12 -1.02 -0.03 0.00 2.95 0.00 0.00 42.46 44.24 1uit s ILE 36 CO 0.15 -0.61 -0.10 0.68 -1.79 0.00 0.00 174.94 173.27 1uit s VAL 37 N -2.37 0.78 0.01 8.37 -7.23 0.18 -4.73 120.40 115.42 1uit s VAL 37 Ca -0.02 -1.35 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 1uit s VAL 37 Cb -0.03 -1.00 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1uit s VAL 37 CO -0.02 -0.44 0.13 -0.55 -0.31 0.00 0.00 175.10 173.91 1uit s SER 38 N -1.97 6.00 0.40 4.85 0.15 -1.26 -0.23 113.70 121.63 1uit s SER 38 Ca -0.02 0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.92 1uit s SER 38 Cb -0.07 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.42 1uit s SER 38 CO 0.00 0.24 0.27 -0.83 1.20 0.00 0.00 173.24 174.13 1uit s GLY 39 N -1.98 2.16 -0.53 9.45 0.00 -1.13 -4.98 107.32 110.30 1uit s GLY 39 Ca 0.27 -1.94 -0.25 0.00 0.00 0.00 0.00 44.72 42.80 1uit s GLY 39 CO 0.18 -1.77 1.82 -2.21 0.00 0.00 0.00 173.10 171.12 1uit n GLU 40 N -1.37 1.03 0.00 2.90 2.13 -1.26 -1.70 120.64 122.37 1uit n GLU 40 Ca 0.01 -1.57 0.00 0.00 0.66 0.00 0.00 57.16 56.25 1uit n GLU 40 Cb 0.63 -2.78 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1uit n LYS 41 N 7.29 0.00 0.00 5.31 4.81 -1.26 -4.98 118.16 129.33 1uit n LYS 41 Ca 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1uit n LYS 41 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 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 -0.50 0.40 3.61 3.14 0.00 -0.69 -4.99 105.19 106.16 1uit n GLY 42 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1uit n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uit s GLY 43 N -0.01 1.57 -0.01 -0.02 0.00 -1.25 -2.02 107.32 105.57 1uit s GLY 43 Ca 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 44.00 1uit s GLY 43 CO 0.00 0.07 -0.01 -0.42 0.00 0.00 0.00 173.10 172.74 1uit s ILE 44 N -2.95 0.19 -0.02 0.90 -1.09 -1.26 -2.85 121.20 114.13 1uit s ILE 44 Ca 0.69 -0.03 0.01 0.00 -2.23 0.00 0.00 60.65 59.09 1uit s ILE 44 Cb -0.13 -0.22 0.02 0.00 -1.58 0.00 0.00 42.46 40.54 1uit s ILE 44 CO 0.57 0.10 -0.01 -0.31 -1.23 0.00 0.00 174.94 174.06 1uit s TYR 45 N 0.42 0.27 0.26 3.97 1.51 0.68 -2.98 117.35 121.47 1uit s TYR 45 Ca -0.04 -0.01 -0.31 0.00 -1.01 0.00 0.00 57.07 55.71 1uit s TYR 45 Cb -0.07 -0.31 -0.13 0.00 -0.11 0.00 0.00 41.96 41.34 1uit s TYR 45 CO -0.01 -0.08 1.47 0.28 -1.11 0.00 0.00 175.55 176.09 1uit n VAL 46 N 3.76 0.98 -0.01 0.71 0.31 -1.25 0.51 118.33 123.34 1uit n VAL 46 Ca -0.22 -0.25 0.06 0.00 -0.01 0.00 0.00 64.34 63.92 1uit n VAL 46 Cb 0.53 -1.63 -0.10 0.00 -0.91 0.00 0.00 33.84 31.73 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 2.15 2.01 -3.61 4.52 2.88 0.32 -3.53 113.62 118.36 1uit n SER 47 Ca 0.11 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1uit n SER 47 Cb 0.33 1.58 -0.02 0.00 -0.75 0.00 0.00 64.21 65.36 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 -2.90 0.20 0.22 -1.46 2.20 -1.17 -4.92 119.74 111.92 1uit s LYS 48 Ca -0.05 -0.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.54 1uit s LYS 48 Cb 0.08 0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.44 1uit s LYS 48 CO 0.54 -0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 175.42 1uit s VAL 49 N -2.26 1.58 -0.14 4.02 1.01 -1.26 0.94 120.40 124.29 1uit s VAL 49 Ca 0.12 -2.16 -0.04 0.00 0.00 0.00 0.00 61.98 59.90 1uit s VAL 49 Cb 0.01 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1uit s VAL 49 CO -0.04 -0.52 -0.02 -0.89 0.00 0.00 0.00 175.10 173.64 1uit s THR 50 N -3.07 4.10 0.20 3.92 2.01 0.13 -4.91 115.64 118.02 1uit s THR 50 Ca 0.24 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 1uit s THR 50 Cb 0.01 -2.78 -0.08 0.00 0.01 0.00 0.00 72.50 69.66 1uit s THR 50 CO 0.07 0.52 1.12 -0.69 -0.69 0.00 0.00 174.62 174.95 1uit s VAL 51 N 0.03 3.75 -1.46 3.82 1.01 -1.26 -2.81 120.40 123.48 1uit s VAL 51 Ca 0.01 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1uit s VAL 51 Cb -0.13 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1uit s VAL 51 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1uit n GLY 52 N 1.92 0.72 3.78 4.51 0.00 -1.26 -4.99 105.19 109.87 1uit n GLY 52 Ca 0.02 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.60 5.43 0.06 1.61 0.01 -1.12 -4.96 113.70 112.11 1uit s SER 53 Ca 0.00 -0.18 -0.11 0.00 1.31 0.00 0.00 55.95 56.98 1uit s SER 53 Cb 0.00 -1.39 -0.02 0.00 0.21 0.00 0.00 66.02 64.82 1uit s SER 53 CO 0.00 0.06 1.19 0.40 0.41 0.00 0.00 173.24 175.30 1uit h ILE 54 N 2.03 0.00 -0.99 1.44 1.08 -1.61 0.27 117.51 119.74 1uit h ILE 54 Ca -0.48 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.11 1uit h ILE 54 Cb 1.20 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.82 1uit h ILE 54 CO 0.62 0.00 -0.49 0.00 -0.69 0.00 0.00 178.15 177.60 1uit n ALA 55 N -3.08 -0.38 -0.29 1.87 0.00 -0.60 0.20 120.51 118.22 1uit n ALA 55 Ca 0.01 0.91 0.12 0.00 0.00 0.00 0.00 53.44 54.47 1uit n ALA 55 Cb 0.09 -0.29 0.28 0.00 0.00 0.00 0.00 19.45 19.54 1uit n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uit h HIS 56 N 0.00 0.54 -0.72 0.00 -0.00 -0.80 0.51 115.15 114.68 1uit h HIS 56 Ca 0.25 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.64 1uit h HIS 56 Cb 0.50 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.77 1uit h HIS 56 CO -0.94 -0.07 0.37 1.96 -0.00 0.00 0.00 177.93 179.24 1uit h GLN 57 N 0.35 1.02 -0.18 5.26 4.20 0.53 -1.46 115.11 124.83 1uit h GLN 57 Ca 0.53 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 59.10 1uit h GLN 57 Cb 0.99 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.57 1uit h GLN 57 CO -0.54 0.78 0.10 0.00 -0.67 0.00 0.00 178.83 178.51 1uit h ALA 58 N 1.18 1.84 -0.01 3.87 0.00 0.28 -3.46 119.26 122.97 1uit h ALA 58 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uit h ALA 58 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uit h ALA 58 CO -0.04 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.76 1uit n GLY 59 N -1.46 0.95 2.87 0.00 0.00 -0.19 -4.79 105.19 102.57 1uit n GLY 59 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1uit n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uit n LEU 60 N -0.00 0.00 -3.61 0.99 4.77 -1.13 -5.04 117.00 112.97 1uit n LEU 60 Ca 0.00 -1.26 -0.01 0.00 -0.03 0.00 0.00 56.01 54.71 1uit n LEU 60 Cb 0.00 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.43 1uit n LEU 60 CO 0.00 -1.08 1.03 -1.83 -1.33 0.00 0.00 177.39 174.18 1uit s GLU 61 N -4.89 0.39 0.51 3.23 -1.05 -1.26 -4.88 118.70 110.75 1uit s GLU 61 Ca 0.53 -0.19 -0.19 0.00 -0.15 0.00 0.00 54.97 54.97 1uit s GLU 61 Cb -0.02 0.15 -0.08 0.00 -0.44 0.00 0.00 34.13 33.74 1uit s GLU 61 CO 0.37 -0.17 1.03 -0.47 0.95 0.00 0.00 175.26 176.96 1uit s TYR 62 N -2.45 3.06 0.00 4.83 6.14 -1.26 -3.32 117.35 124.35 1uit s TYR 62 Ca 0.12 1.56 0.00 0.00 0.64 0.00 0.00 57.07 59.39 1uit s TYR 62 Cb 0.02 -3.01 0.00 0.00 0.42 0.00 0.00 41.96 39.40 1uit s TYR 62 CO -0.04 -0.78 0.00 0.41 0.64 0.00 0.00 175.55 175.78 1uit n GLY 63 N -0.56 2.42 3.57 8.97 0.00 -1.23 -4.98 105.19 113.38 1uit n GLY 63 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.42 5.98 0.15 1.61 1.01 -1.21 -4.10 116.67 117.70 1uit s ASP 64 Ca 0.00 0.20 -0.31 0.00 0.71 0.00 0.00 52.55 53.15 1uit s ASP 64 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1uit s ASP 64 CO 0.00 -1.85 1.43 -1.58 0.21 0.00 0.00 175.17 173.38 1uit s GLN 65 N 5.82 4.30 -0.21 8.23 0.74 -1.26 -3.96 119.66 133.32 1uit s GLN 65 Ca 0.53 2.16 -0.18 0.00 0.05 0.00 0.00 55.36 57.92 1uit s GLN 65 Cb -0.11 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 1uit s GLN 65 CO 0.23 -0.45 0.50 -0.51 -0.55 0.00 0.00 175.29 174.50 1uit s LEU 66 N 0.79 4.13 -0.17 3.68 1.43 -1.16 -1.29 118.68 126.09 1uit s LEU 66 Ca 0.64 0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 54.23 1uit s LEU 66 Cb -0.39 -2.66 -0.07 0.00 0.03 0.00 0.00 46.19 43.10 1uit s LEU 66 CO 0.33 -0.18 -0.16 0.18 0.23 0.00 0.00 176.35 176.75 1uit n LEU 67 N 4.87 1.85 -3.88 1.79 4.77 0.03 -4.25 117.00 122.18 1uit n LEU 67 Ca -0.05 0.53 -0.11 0.00 -0.03 0.00 0.00 56.01 56.34 1uit n LEU 67 Cb 0.50 -0.86 -0.12 0.00 -2.33 0.00 0.00 43.42 40.62 1uit n LEU 67 CO 0.41 -0.26 -0.27 -1.61 -1.33 0.00 0.00 177.39 174.33 1uit s GLU 68 N -2.41 0.24 -0.33 3.23 2.02 -1.19 -1.85 118.70 118.42 1uit s GLU 68 Ca -0.21 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 1uit s GLU 68 Cb 0.04 0.10 0.07 0.00 0.10 0.00 0.00 34.13 34.44 1uit s GLU 68 CO 0.33 -0.05 0.06 0.12 0.02 0.00 0.00 175.26 175.74 1uit s PHE 69 N -0.67 3.40 -1.64 1.61 2.19 -0.24 -0.52 117.98 122.11 1uit s PHE 69 Ca -0.07 -2.14 0.00 0.00 0.33 0.00 0.00 56.93 55.05 1uit s PHE 69 Cb -0.05 -2.48 0.00 0.00 -1.31 0.00 0.00 43.02 39.18 1uit s PHE 69 CO 0.00 -0.87 0.00 0.09 1.83 0.00 0.00 175.22 176.28 1uit n ASN 70 N 4.57 -4.49 0.00 6.13 3.02 0.18 -0.17 115.26 124.50 1uit n ASN 70 Ca -0.09 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1uit n ASN 70 Cb 0.43 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 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 -0.22 2.19 3.46 7.41 0.00 -1.26 -4.94 105.19 111.83 1uit n GLY 71 Ca -0.15 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 2.10 -3.27 -0.61 5.41 0.76 -4.89 119.36 118.86 1uit n ILE 72 Ca 0.00 -0.50 -0.46 0.00 1.00 0.00 0.00 62.75 62.79 1uit n ILE 72 Cb 0.00 -0.64 -0.03 0.00 -0.71 0.00 0.00 39.64 38.26 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 -1.13 6.60 0.36 4.38 2.47 -1.26 -1.08 114.94 125.27 1uit s ASN 73 Ca 0.68 -2.37 0.19 0.00 0.42 0.00 0.00 52.86 51.77 1uit s ASN 73 Cb -0.46 -2.23 0.46 0.00 -1.45 0.00 0.00 41.25 37.56 1uit s ASN 73 CO 0.55 -0.71 1.62 -0.07 -3.72 0.00 0.00 177.10 174.78 1uit h LEU 74 N 8.38 0.00 -1.59 3.21 3.38 -1.66 -3.08 115.31 123.96 1uit h LEU 74 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1uit h LEU 74 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1uit h LEU 74 CO 0.86 0.37 0.59 0.03 0.09 0.00 0.00 178.44 180.38 1uit h ARG 75 N 0.00 0.00 -1.26 1.13 3.08 -1.60 0.63 114.38 116.36 1uit h ARG 75 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 1uit h ARG 75 Cb 1.08 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.72 1uit h ARG 75 CO 0.05 0.00 -1.06 0.45 -1.07 0.00 0.00 179.97 178.34 1uit n SER 76 N -3.18 2.35 -4.16 7.04 2.88 -1.16 -3.91 113.62 113.48 1uit n SER 76 Ca 0.05 -3.03 -0.17 0.00 -1.33 0.00 0.00 58.87 54.39 1uit n SER 76 Cb 0.72 -0.52 -0.12 0.00 -0.75 0.00 0.00 64.21 63.54 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uit s ALA 77 N -3.19 1.09 0.92 -1.46 0.00 0.21 -5.03 121.76 114.31 1uit s ALA 77 Ca 0.34 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.20 1uit s ALA 77 Cb 0.43 -0.07 0.20 0.00 0.00 0.00 0.00 23.12 23.68 1uit s ALA 77 CO -0.04 0.13 1.22 0.25 0.00 0.00 0.00 175.76 177.32 1uit n THR 78 N 1.24 0.00 0.02 0.00 -2.24 -1.26 -4.33 114.28 107.72 1uit n THR 78 Ca -0.21 -1.16 -0.15 0.00 -2.27 0.00 0.00 64.05 60.26 1uit n THR 78 Cb 0.54 -1.32 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 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 -0.28 -0.78 4.11 -1.90 -1.15 114.58 115.19 1uit h GLU 79 Ca -0.40 -0.56 -0.06 0.00 0.07 0.00 0.00 59.36 58.42 1uit h GLU 79 Cb 1.19 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1uit h GLU 79 CO 0.32 1.17 -0.05 -0.56 0.07 0.00 0.00 179.01 179.96 1uit h GLN 80 N 0.39 0.53 -0.54 1.06 3.07 -1.94 0.11 115.11 117.80 1uit h GLN 80 Ca -0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 58.65 58.40 1uit h GLN 80 Cb 1.47 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.98 1uit h GLN 80 CO 0.16 0.73 0.03 1.96 0.09 0.00 0.00 178.83 181.80 1uit h GLN 81 N 0.30 0.93 -0.66 0.06 7.50 -1.94 -2.56 115.11 118.73 1uit h GLN 81 Ca 0.07 -0.28 -0.06 0.00 0.50 0.00 0.00 58.65 58.88 1uit h GLN 81 Cb 0.52 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.93 1uit h GLN 81 CO 0.03 0.93 0.16 0.00 -1.50 0.00 0.00 178.83 178.44 1uit h ALA 82 N 0.96 0.87 0.00 3.87 0.00 -1.11 0.26 119.26 124.11 1uit h ALA 82 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uit h ALA 82 Cb 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uit h ALA 82 CO 0.02 0.59 0.00 0.54 0.00 0.00 0.00 179.25 180.40 1uit n ARG 83 N -4.29 0.03 -0.12 0.00 1.74 0.37 -1.40 116.66 112.99 1uit n ARG 83 Ca 0.04 0.40 -0.21 0.00 -0.77 0.00 0.00 57.85 57.31 1uit n ARG 83 Cb 0.25 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.63 1.94 -0.34 0.55 -0.00 -0.35 -3.20 117.00 113.96 1uit n LEU 84 Ca 0.02 0.33 0.17 0.00 -0.00 0.00 0.00 56.01 56.53 1uit n LEU 84 Cb 0.09 -0.78 0.38 0.00 -0.00 0.00 0.00 43.42 43.12 1uit n LEU 84 CO 0.08 0.23 1.18 0.40 -0.00 0.00 0.00 177.39 179.28 1uit h ILE 85 N -0.99 0.59 0.02 1.47 2.04 -0.36 0.83 117.51 121.12 1uit h ILE 85 Ca -0.42 -0.21 -0.21 0.00 1.00 0.00 0.00 64.86 65.03 1uit h ILE 85 Cb 1.36 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1uit h ILE 85 CO -0.25 0.11 -0.95 0.16 0.00 0.00 0.00 178.15 177.21 1uit h ILE 86 N 0.61 1.60 -0.39 -0.67 3.07 -1.45 -3.11 117.51 117.18 1uit h ILE 86 Ca 0.61 -3.00 -0.14 0.00 1.55 0.00 0.00 64.86 63.88 1uit h ILE 86 Cb 1.16 2.67 -0.08 0.00 -0.27 0.00 0.00 36.82 40.30 1uit h ILE 86 CO -0.42 0.86 0.18 0.61 -1.05 0.00 0.00 178.15 178.34 1uit n GLY 87 N 1.11 2.77 1.29 0.16 0.00 0.26 -4.37 105.19 106.41 1uit n GLY 87 Ca -0.02 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.03 0.34 -4.17 1.61 6.02 0.30 -4.93 117.38 116.52 1uit n GLN 88 Ca 0.22 -0.89 -0.33 0.00 -0.01 0.00 0.00 57.00 55.99 1uit n GLN 88 Cb 0.91 -0.23 -0.08 0.00 1.02 0.00 0.00 30.24 31.86 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 -3.32 2.94 0.00 -1.09 1.03 -1.26 -4.98 119.66 112.98 1uit s GLN 89 Ca 0.22 -0.55 0.00 0.00 0.04 0.00 0.00 55.36 55.07 1uit s GLN 89 Cb -0.01 -2.77 0.00 0.00 0.03 0.00 0.00 33.01 30.25 1uit s GLN 89 CO 0.15 0.63 0.00 0.00 -2.54 0.00 0.00 175.29 173.53 1uit h ASP 91 N 0.00 0.05 -3.31 0.00 5.19 -1.94 -3.36 116.42 113.06 1uit h ASP 91 Ca 0.00 0.23 -0.42 0.00 -0.62 0.00 0.00 57.03 56.22 1uit h ASP 91 Cb 0.00 0.29 -0.37 0.00 0.18 0.00 0.00 39.33 39.43 1uit h ASP 91 CO 0.00 -0.25 -0.76 -0.89 -3.12 0.00 0.00 179.24 174.21 1uit s THR 92 N -5.82 0.32 0.03 0.35 2.01 -1.26 -1.19 115.64 110.08 1uit s THR 92 Ca -0.11 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1uit s THR 92 Cb 0.29 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1uit s THR 92 CO 0.78 0.24 -0.13 -0.51 -0.69 0.00 0.00 174.62 174.31 1uit s ILE 93 N 1.79 1.01 0.16 1.82 -1.16 -0.65 -4.96 121.20 119.21 1uit s ILE 93 Ca 0.02 -0.90 0.05 0.00 -0.51 0.00 0.00 60.65 59.32 1uit s ILE 93 Cb -0.13 -0.91 -0.04 0.00 0.61 0.00 0.00 42.46 41.99 1uit s ILE 93 CO -0.04 0.02 0.12 -0.89 -2.81 0.00 0.00 174.94 171.34 1uit s THR 94 N -0.77 4.39 -0.00 4.00 2.01 -1.26 0.51 115.64 124.51 1uit s THR 94 Ca 0.01 -1.12 0.03 0.00 0.31 0.00 0.00 61.69 60.92 1uit s THR 94 Cb -0.07 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1uit s THR 94 CO 0.01 -0.11 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.10 1uit s ILE 95 N -1.75 0.76 -0.76 1.82 1.01 0.19 0.51 121.20 122.98 1uit s ILE 95 Ca 0.30 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 1uit s ILE 95 Cb -0.10 -0.65 0.19 0.00 0.01 0.00 0.00 42.46 41.91 1uit s ILE 95 CO 0.23 0.17 0.62 -0.22 0.00 0.00 0.00 174.94 175.73 1uit s LEU 96 N -0.35 5.46 0.65 2.97 2.96 0.32 -0.64 118.68 130.05 1uit s LEU 96 Ca 0.03 -3.26 -0.05 0.00 -0.22 0.00 0.00 54.13 50.63 1uit s LEU 96 Cb -0.04 -1.90 0.05 0.00 0.50 0.00 0.00 46.19 44.80 1uit s LEU 96 CO -0.00 -0.29 0.94 0.00 -1.32 0.00 0.00 176.35 175.68 1uit s ALA 97 N -0.67 3.36 -0.51 5.97 0.00 -0.82 -0.79 121.76 128.30 1uit s ALA 97 Ca 0.22 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1uit s ALA 97 Cb -0.14 -2.47 0.19 0.00 0.00 0.00 0.00 23.12 20.70 1uit s ALA 97 CO -0.08 -1.09 0.76 0.94 0.00 0.00 0.00 175.76 176.28 1uit n GLN 98 N -2.73 0.52 -1.44 0.00 7.27 -0.41 -0.78 117.38 119.81 1uit n GLN 98 Ca 0.07 -1.96 -0.56 0.00 0.07 0.00 0.00 57.00 54.62 1uit n GLN 98 Cb 0.60 -1.38 -0.08 0.00 2.41 0.00 0.00 30.24 31.79 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 2.88 0.94 -3.79 3.69 4.19 -1.26 -4.14 117.16 119.67 1uit n TYR 99 Ca 0.17 0.99 -0.26 0.00 3.31 0.00 0.00 57.90 62.11 1uit n TYR 99 Cb 0.57 -1.93 -0.17 0.00 0.49 0.00 0.00 39.34 38.29 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 0.97 2.26 -0.59 2.98 3.84 -1.26 -3.73 114.94 119.42 1uit s ASN 100 Ca 0.87 -0.44 -0.06 0.00 0.21 0.00 0.00 52.86 53.44 1uit s ASN 100 Cb -1.22 -0.60 -0.14 0.00 -0.55 0.00 0.00 41.25 38.74 1uit s ASN 100 CO 0.60 -0.22 2.67 -0.81 -2.79 0.00 0.00 177.10 176.54 1uit n PRO 101 N 5.06 2.12 -2.52 0.43 -0.04 -1.26 -3.28 135.00 135.50 1uit n PRO 101 Ca -0.09 -1.24 -0.03 0.00 -0.04 0.00 0.00 63.50 62.10 1uit n PRO 101 Cb 0.49 -2.22 -0.00 0.00 -0.04 0.00 0.00 33.50 31.72 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 3.25 -0.50 -2.60 0.54 8.25 -1.26 -5.03 115.22 117.87 1uit n HIS 102 Ca 0.45 -0.73 -0.30 0.00 -0.26 0.00 0.00 57.72 56.89 1uit n HIS 102 Cb 0.44 1.14 -0.01 0.00 1.12 0.00 0.00 29.99 32.68 1uit n HIS 102 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1uit n VAL 103 N -0.49 3.08 -2.65 1.59 0.24 -1.21 -5.04 118.33 113.86 1uit n VAL 103 Ca -0.23 -5.20 -0.17 0.00 -2.04 0.00 0.00 64.34 56.71 1uit n VAL 103 Cb 0.65 -1.34 0.08 0.00 -1.47 0.00 0.00 33.84 31.76 1uit n VAL 103 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1uit n HIS 104 N -0.37 -2.90 -4.10 6.34 8.25 -1.26 -4.94 115.22 116.24 1uit n HIS 104 Ca 0.38 -1.39 -0.11 0.00 -0.26 0.00 0.00 57.72 56.34 1uit n HIS 104 Cb 0.48 -0.51 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 1uit n HIS 104 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1uit s GLN 105 N -4.31 0.64 0.07 -0.41 -1.52 -1.26 -5.10 119.66 107.77 1uit s GLN 105 Ca 0.49 -1.01 0.04 0.00 -1.95 0.00 0.00 55.36 52.93 1uit s GLN 105 Cb -0.03 -0.18 -0.03 0.00 -0.22 0.00 0.00 33.01 32.55 1uit s GLN 105 CO 0.32 0.00 -0.12 -1.17 -0.25 0.00 0.00 175.29 174.07 1uit s LEU 106 N -2.25 2.29 0.00 2.90 2.96 -1.26 -5.01 118.68 118.31 1uit s LEU 106 Ca -0.01 -0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1uit s LEU 106 Cb -0.03 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.26 1uit s LEU 106 CO -0.03 -0.13 0.02 -0.24 -1.32 0.00 0.00 176.35 174.65 1uit n SER 107 N 1.21 -8.21 -2.99 3.68 2.88 -1.26 -5.06 113.62 103.86 1uit n SER 107 Ca -0.21 1.78 0.04 0.00 -1.33 0.00 0.00 58.87 59.16 1uit n SER 107 Cb 0.55 -4.94 0.00 0.00 -0.75 0.00 0.00 64.21 59.07 1uit n SER 107 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uit s SER 108 N -0.56 -0.16 -0.17 -3.46 0.01 -1.26 -5.15 113.70 102.96 1uit s SER 108 Ca -0.02 -0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.21 1uit s SER 108 Cb 0.00 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 67.01 1uit s SER 108 CO 0.06 -0.03 -0.10 -1.00 0.41 0.00 0.00 173.24 172.59 1uit s HIS 109 N 2.63 2.88 0.06 2.43 3.76 -1.26 -4.96 115.29 120.83 1uit s HIS 109 Ca 0.26 -0.78 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 1uit s HIS 109 Cb 0.01 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1uit s HIS 109 CO -0.20 -0.35 0.00 0.43 -0.85 0.00 0.00 174.74 173.76 1uit n SER 110 N 4.04 0.34 -2.74 1.40 7.64 -1.26 -5.12 113.62 117.92 1uit n SER 110 Ca -0.18 0.09 -0.03 0.00 1.01 0.00 0.00 58.87 59.75 1uit n SER 110 Cb 0.52 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 1uit n SER 110 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1uit n ARG 111 N -3.14 -3.59 -3.74 1.43 0.63 -1.26 -5.04 116.66 101.95 1uit n ARG 111 Ca 0.00 2.81 -0.14 0.00 -0.92 0.00 0.00 57.85 59.61 1uit n ARG 111 Cb 0.24 -4.29 -0.14 0.00 0.45 0.00 0.00 32.46 28.72 1uit n ARG 111 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1uit s SER 112 N -0.85 -0.10 0.00 6.15 0.15 -1.26 -5.09 113.70 112.70 1uit s SER 112 Ca -0.16 0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.84 1uit s SER 112 Cb 0.01 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1uit s SER 112 CO 0.63 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1uit n GLY 113 N 4.28 3.31 2.81 9.45 0.00 -1.26 -5.17 105.19 118.62 1uit n GLY 113 Ca -0.25 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 -1.81 -0.03 1.61 -0.04 -1.26 -4.92 135.00 128.55 1uit n PRO 114 Ca 0.00 -1.45 0.08 0.00 -0.04 0.00 0.00 63.50 62.09 1uit n PRO 114 Cb 0.00 -1.15 0.40 0.00 -0.04 0.00 0.00 33.50 32.72 1uit n PRO 114 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1uit n SER 115 N -4.04 0.54 -3.65 3.54 3.41 -1.26 -4.64 113.62 107.53 1uit n SER 115 Ca 0.12 -1.61 -0.18 0.00 -0.26 0.00 0.00 58.87 56.94 1uit n SER 115 Cb 0.45 -0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.20 1uit n SER 115 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uit s SER 116 N -1.46 0.92 0.00 4.04 1.04 -1.26 -5.38 113.70 111.61 1uit s SER 116 Ca 0.25 0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1uit s SER 116 Cb 0.12 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1uit s SER 116 CO 0.19 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.76