#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 -0.06 -1.08 1.61 1.04 -1.26 -5.08 113.70 108.86 1uit s SER 2 Ca 0.00 0.06 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 1uit s SER 2 Cb 0.00 0.05 0.27 0.00 0.10 0.00 0.00 66.02 66.44 1uit s SER 2 CO 0.00 -0.06 1.06 -1.20 0.98 0.00 0.00 173.24 174.03 1uit n SER 3 N 0.52 5.30 -2.72 7.02 7.64 -1.26 -4.80 113.62 125.32 1uit n SER 3 Ca -0.01 -3.06 -0.05 0.00 1.01 0.00 0.00 58.87 56.77 1uit n SER 3 Cb 0.59 -1.32 0.03 0.00 -1.01 0.00 0.00 64.21 62.50 1uit n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uit n GLY 4 N 2.60 -0.86 0.10 0.23 0.00 -1.26 -5.03 105.19 100.97 1uit n GLY 4 Ca 0.24 0.66 -0.15 0.00 0.00 0.00 0.00 46.02 46.77 1uit n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uit n SER 5 N 2.40 1.94 0.00 1.61 2.88 -1.26 -4.97 113.62 116.22 1uit n SER 5 Ca 0.12 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1uit n SER 5 Cb 0.61 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1uit n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uit n SER 6 N -4.41 0.00 0.00 -3.46 7.64 -1.26 -4.74 113.62 107.39 1uit n SER 6 Ca -0.26 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.62 1uit n SER 6 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.00 -0.47 0.00 0.23 0.00 -1.26 -5.08 105.19 98.61 1uit n GLY 7 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.49 3.50 -0.02 0.00 -1.26 -5.10 105.19 101.82 1uit n GLY 8 Ca 0.00 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 3.18 0.09 1.61 2.12 -1.26 -5.00 118.70 119.45 1uit s GLU 9 Ca 0.00 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 54.89 1uit s GLU 9 Cb 0.00 -4.18 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 1uit s GLU 9 CO 0.00 -1.87 -0.21 1.03 -0.54 0.00 0.00 175.26 173.67 1uit s ARG 10 N 4.61 1.20 0.36 4.30 0.52 -1.26 -5.03 118.95 123.65 1uit s ARG 10 Ca 0.28 -1.13 0.00 0.00 -0.52 0.00 0.00 55.73 54.36 1uit s ARG 10 Cb -0.13 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 33.88 1uit s ARG 10 CO 0.14 0.35 0.00 -2.13 0.02 0.00 0.00 175.30 173.67 1uit n ARG 11 N 1.23 -4.78 -1.99 3.54 0.63 -1.26 -4.96 116.66 109.07 1uit n ARG 11 Ca -0.19 3.46 -0.29 0.00 -0.92 0.00 0.00 57.85 59.91 1uit n ARG 11 Cb 0.53 -3.81 0.07 0.00 0.45 0.00 0.00 32.46 29.70 1uit n ARG 11 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1uit s LYS 12 N -2.37 2.32 0.54 -0.14 2.47 -1.26 -4.87 119.74 116.43 1uit s LYS 12 Ca 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 55.97 54.54 1uit s LYS 12 Cb 0.00 -2.03 0.00 0.00 -1.46 0.00 0.00 37.83 34.34 1uit s LYS 12 CO 0.00 -1.32 0.00 -3.47 0.16 0.00 0.00 175.35 170.72 1uit n ASP 13 N -3.11 -8.37 -4.60 1.43 -0.08 -1.26 -4.64 116.55 95.92 1uit n ASP 13 Ca 0.07 1.43 -0.52 0.00 -1.51 0.00 0.00 54.79 54.27 1uit n ASP 13 Cb 0.60 -4.77 -0.06 0.00 2.34 0.00 0.00 41.12 39.22 1uit n ASP 13 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1uit n ARG 14 N -1.49 1.43 0.19 -0.67 1.74 -1.26 -4.81 116.66 111.78 1uit n ARG 14 Ca 0.00 0.48 0.07 0.00 -0.77 0.00 0.00 57.85 57.63 1uit n ARG 14 Cb 0.17 -2.42 0.28 0.00 -1.02 0.00 0.00 32.46 29.47 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 9.92 0.00 0.00 5.56 0.13 -1.89 -3.46 132.00 142.27 1uit h PRO 15 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.98 0.31 0.00 0.66 -0.23 0.00 0.00 178.00 179.72 1uit n TYR 16 N -3.33 -2.38 -4.62 1.56 4.01 -1.26 -5.15 117.16 105.99 1uit n TYR 16 Ca 0.01 0.33 -0.28 0.00 -0.16 0.00 0.00 57.90 57.80 1uit n TYR 16 Cb 0.54 1.10 -0.10 0.00 -0.31 0.00 0.00 39.34 40.57 1uit n TYR 16 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1uit s VAL 17 N -2.00 1.65 -0.49 -0.72 -7.23 -1.26 -5.04 120.40 105.30 1uit s VAL 17 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.89 1uit s VAL 17 Cb 0.00 -2.78 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 1uit s VAL 17 CO 0.00 0.00 1.62 -1.61 -0.31 0.00 0.00 175.10 174.80 1uit s GLU 18 N -3.77 3.19 0.40 4.82 2.02 -1.26 -4.89 118.70 119.21 1uit s GLU 18 Ca 0.29 0.80 -0.11 0.00 0.02 0.00 0.00 54.97 55.97 1uit s GLU 18 Cb 0.08 -4.19 -0.09 0.00 0.10 0.00 0.00 34.13 30.02 1uit s GLU 18 CO 0.14 -2.05 -0.20 -0.85 0.02 0.00 0.00 175.26 172.32 1uit n GLU 19 N 8.64 0.00 -2.42 1.61 0.28 -1.26 -4.10 120.64 123.39 1uit n GLU 19 Ca 0.17 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.75 1uit n GLU 19 Cb 0.49 -0.62 -0.02 0.00 1.43 0.00 0.00 31.44 32.71 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1uit s PRO 20 N -0.80 4.28 0.57 3.44 0.04 -1.26 -4.57 135.00 136.70 1uit s PRO 20 Ca 0.33 1.69 0.09 0.00 0.04 0.00 0.00 61.00 63.15 1uit s PRO 20 Cb -0.26 -3.67 0.08 0.00 0.04 0.00 0.00 34.50 30.69 1uit s PRO 20 CO 0.44 -0.59 0.72 -0.98 0.04 0.00 0.00 177.00 176.63 1uit s ARG 21 N 2.90 2.29 -0.54 4.56 3.03 0.78 -4.90 118.95 127.08 1uit s ARG 21 Ca 0.56 -1.72 0.04 0.00 2.03 0.00 0.00 55.73 56.64 1uit s ARG 21 Cb -0.24 -2.54 0.16 0.00 -1.03 0.00 0.00 34.95 31.31 1uit s ARG 21 CO 0.19 -0.82 0.39 -1.01 -1.13 0.00 0.00 175.30 172.91 1uit s HIS 22 N -2.69 2.28 -0.14 5.89 3.76 -1.25 -2.72 115.29 120.42 1uit s HIS 22 Ca 0.56 -2.78 -0.29 0.00 -0.15 0.00 0.00 55.06 52.40 1uit s HIS 22 Cb -0.05 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 1uit s HIS 22 CO 0.36 -0.70 1.43 0.08 -0.85 0.00 0.00 174.74 175.05 1uit s VAL 23 N -0.55 3.99 0.43 -0.90 1.01 0.28 -4.73 120.40 119.93 1uit s VAL 23 Ca 0.27 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 1uit s VAL 23 Cb -0.04 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1uit s VAL 23 CO -0.16 -0.14 0.89 -0.54 0.00 0.00 0.00 175.10 175.16 1uit s LYS 24 N 3.81 4.03 -0.04 2.72 1.02 -1.26 -0.04 119.74 129.99 1uit s LYS 24 Ca 0.63 0.89 0.02 0.00 0.02 0.00 0.00 55.97 57.52 1uit s LYS 24 Cb -0.26 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 1uit s LYS 24 CO 0.21 -0.07 -0.08 0.08 -0.92 0.00 0.00 175.35 174.57 1uit s VAL 25 N -2.31 0.72 -0.96 3.17 1.01 0.38 -4.63 120.40 117.77 1uit s VAL 25 Ca 0.58 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.25 1uit s VAL 25 Cb -0.10 -0.68 0.27 0.00 0.00 0.00 0.00 36.38 35.88 1uit s VAL 25 CO 0.22 0.25 1.11 0.00 0.00 0.00 0.00 175.10 176.68 1uit n GLN 26 N 3.63 3.50 0.00 2.72 6.02 -1.26 -0.75 117.38 131.24 1uit n GLN 26 Ca -0.21 -4.54 0.00 0.00 -0.01 0.00 0.00 57.00 52.23 1uit n GLN 26 Cb 0.53 -2.45 0.00 0.00 1.02 0.00 0.00 30.24 29.34 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 1.72 0.00 0.00 -1.09 4.76 0.23 -4.86 118.16 118.92 1uit n LYS 27 Ca 0.25 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 1uit n LYS 27 Cb 0.36 -1.09 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 1uit n LYS 27 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uit n GLY 28 N -0.60 2.19 1.25 0.72 0.00 0.12 -3.85 105.19 105.03 1uit n GLY 28 Ca 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 2.70 -0.13 -3.95 1.61 3.41 -1.26 -4.67 113.62 111.33 1uit n SER 29 Ca 0.00 -0.81 -0.09 0.00 -0.26 0.00 0.00 58.87 57.71 1uit n SER 29 Cb 0.00 0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.01 0.60 1.05 4.33 8.01 -1.25 -5.17 118.70 126.28 1uit s GLU 30 Ca 0.01 -0.82 -0.17 0.00 0.01 0.00 0.00 54.97 53.99 1uit s GLU 30 Cb 0.03 0.23 0.23 0.00 -4.31 0.00 0.00 34.13 30.31 1uit s GLU 30 CO -0.01 -0.15 1.21 -1.25 0.01 0.00 0.00 175.26 175.07 1uit s PRO 31 N -2.83 -0.05 -0.12 0.39 0.04 -1.26 -4.79 135.00 126.38 1uit s PRO 31 Ca -0.03 -0.16 -0.15 0.00 0.04 0.00 0.00 61.00 60.70 1uit s PRO 31 Cb 0.00 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.67 1uit s PRO 31 CO -0.06 -2.92 0.43 1.25 0.04 0.00 0.00 177.00 175.74 1uit h LEU 32 N -2.01 -0.02 -2.96 -3.56 5.85 -1.95 -3.30 115.31 107.37 1uit h LEU 32 Ca -0.45 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 57.76 1uit h LEU 32 Cb 1.27 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.32 1uit h LEU 32 CO 0.40 0.72 -0.03 0.61 -0.34 0.00 0.00 178.44 179.80 1uit n GLY 33 N 1.61 0.28 3.30 3.75 0.00 -1.26 -1.25 105.19 111.61 1uit n GLY 33 Ca -0.05 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 0.02 0.09 -0.61 -4.36 -1.26 -0.04 121.20 112.02 1uit s ILE 34 Ca 0.02 -0.15 -0.15 0.00 -0.26 0.00 0.00 60.65 60.10 1uit s ILE 34 Cb -0.00 -0.61 -0.06 0.00 1.25 0.00 0.00 42.46 43.03 1uit s ILE 34 CO 0.05 -0.08 0.51 -0.55 0.24 0.00 0.00 174.94 175.10 1uit s SER 35 N -0.37 6.86 0.03 4.36 0.15 0.25 -4.93 113.70 120.04 1uit s SER 35 Ca -0.05 1.06 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1uit s SER 35 Cb -0.03 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.97 1uit s SER 35 CO 0.02 0.20 -0.04 0.27 1.20 0.00 0.00 173.24 174.89 1uit s ILE 36 N -1.29 0.22 0.05 6.45 -5.25 -1.26 0.85 121.20 120.97 1uit s ILE 36 Ca 0.32 -1.00 0.03 0.00 -0.99 0.00 0.00 60.65 59.01 1uit s ILE 36 Cb -0.16 -0.41 -0.02 0.00 2.95 0.00 0.00 42.46 44.81 1uit s ILE 36 CO 0.18 -0.50 -0.09 0.68 -1.79 0.00 0.00 174.94 173.42 1uit s VAL 37 N -1.57 0.69 0.07 8.37 -7.23 0.21 -4.79 120.40 116.15 1uit s VAL 37 Ca -0.13 -1.10 -0.04 0.00 -1.81 0.00 0.00 61.98 58.90 1uit s VAL 37 Cb -0.09 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 1uit s VAL 37 CO -0.01 -0.32 0.28 -0.55 -0.31 0.00 0.00 175.10 174.20 1uit s SER 38 N -1.56 6.44 -0.21 4.85 0.15 -1.26 -1.50 113.70 120.62 1uit s SER 38 Ca -0.07 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.05 1uit s SER 38 Cb -0.10 -2.04 0.28 0.00 -1.71 0.00 0.00 66.02 62.46 1uit s SER 38 CO 0.01 0.16 1.49 0.61 1.20 0.00 0.00 173.24 176.70 1uit n GLY 39 N 0.47 3.22 4.09 9.45 0.00 -1.19 -4.87 105.19 116.36 1uit n GLY 39 Ca -0.06 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1uit n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uit n GLU 40 N -0.14 -0.42 0.00 1.61 2.13 -1.26 -4.22 120.64 118.33 1uit n GLU 40 Ca 0.27 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1uit n GLU 40 Cb 0.96 -2.40 0.00 0.00 0.27 0.00 0.00 31.44 30.28 1uit n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1uit n LYS 41 N -4.63 0.00 0.00 5.31 4.76 -1.26 -5.14 118.16 117.20 1uit n LYS 41 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1uit n LYS 41 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 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 0.00 2.56 0.00 0.72 0.00 -1.26 -5.00 105.19 102.22 1uit n GLY 42 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.58 2.19 3.18 -0.02 0.00 -0.33 -4.32 105.19 105.31 1uit n GLY 43 Ca 0.00 -1.71 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.82 1.62 -0.02 -0.61 -1.09 -1.26 -3.20 121.20 114.82 1uit s ILE 44 Ca 0.00 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 57.63 1uit s ILE 44 Cb 0.00 -1.38 -0.01 0.00 -1.58 0.00 0.00 42.46 39.49 1uit s ILE 44 CO 0.00 0.46 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.70 1uit s TYR 45 N -0.08 1.48 0.20 3.97 1.51 -0.56 -2.27 117.35 121.61 1uit s TYR 45 Ca -0.02 -0.33 -0.31 0.00 -1.01 0.00 0.00 57.07 55.40 1uit s TYR 45 Cb -0.12 -0.97 -0.11 0.00 -0.11 0.00 0.00 41.96 40.65 1uit s TYR 45 CO 0.02 -0.07 1.58 0.08 -1.11 0.00 0.00 175.55 176.05 1uit s VAL 46 N -0.23 2.45 -0.17 0.71 1.01 -1.11 -0.62 120.40 122.45 1uit s VAL 46 Ca 0.03 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.46 1uit s VAL 46 Cb -0.08 -3.22 -0.15 0.00 0.00 0.00 0.00 36.38 32.93 1uit s VAL 46 CO 0.00 0.03 0.31 -0.24 0.00 0.00 0.00 175.10 175.21 1uit n SER 47 N 3.51 1.84 -3.60 3.32 2.88 0.25 -3.08 113.62 118.73 1uit n SER 47 Ca 0.12 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1uit n SER 47 Cb 0.38 1.35 -0.01 0.00 -0.75 0.00 0.00 64.21 65.17 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 -2.53 0.08 0.08 -1.46 2.20 -1.14 -4.88 119.74 112.09 1uit s LYS 48 Ca -0.01 -0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.58 1uit s LYS 48 Cb 0.07 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.39 1uit s LYS 48 CO 0.46 -0.04 -0.08 0.08 -0.36 0.00 0.00 175.35 175.41 1uit s VAL 49 N -2.10 0.67 -0.25 4.02 1.01 -1.26 0.86 120.40 123.35 1uit s VAL 49 Ca 0.13 -1.56 -0.08 0.00 0.00 0.00 0.00 61.98 60.47 1uit s VAL 49 Cb 0.03 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1uit s VAL 49 CO -0.04 -0.63 0.11 -0.89 0.00 0.00 0.00 175.10 173.64 1uit s THR 50 N -2.56 4.67 0.12 3.92 2.01 0.94 -4.92 115.64 119.82 1uit s THR 50 Ca 0.02 -0.05 -0.31 0.00 0.31 0.00 0.00 61.69 61.66 1uit s THR 50 Cb -0.02 -3.19 -0.08 0.00 0.01 0.00 0.00 72.50 69.22 1uit s THR 50 CO -0.02 0.33 1.35 -0.69 -0.69 0.00 0.00 174.62 174.89 1uit s VAL 51 N 1.52 3.39 0.00 3.82 1.01 -1.26 -2.13 120.40 126.75 1uit s VAL 51 Ca 0.06 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1uit s VAL 51 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1uit s VAL 51 CO 0.06 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1uit n GLY 52 N 3.22 3.09 3.75 4.51 0.00 -1.26 -5.01 105.19 113.48 1uit n GLY 52 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1uit n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uit s SER 53 N -0.67 4.22 0.20 1.61 1.04 -0.90 -4.73 113.70 114.46 1uit s SER 53 Ca 0.00 1.88 -0.23 0.00 0.48 0.00 0.00 55.95 58.07 1uit s SER 53 Cb 0.00 -2.52 0.10 0.00 0.10 0.00 0.00 66.02 63.70 1uit s SER 53 CO 0.00 -2.22 1.55 0.40 0.98 0.00 0.00 173.24 173.94 1uit h ILE 54 N -1.26 0.01 -0.24 -1.02 1.08 -1.61 0.12 117.51 114.59 1uit h ILE 54 Ca -0.44 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1uit h ILE 54 Cb 1.24 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1uit h ILE 54 CO 0.50 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 177.81 1uit h ALA 55 N 0.97 -0.17 -0.93 1.87 0.00 -1.42 0.54 119.26 120.13 1uit h ALA 55 Ca 0.26 0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.40 1uit h ALA 55 Cb 0.52 1.07 -0.18 0.00 0.00 0.00 0.00 17.79 19.21 1uit h ALA 55 CO -0.94 -0.27 -0.17 1.58 0.00 0.00 0.00 179.25 179.45 1uit n HIS 56 N -3.56 0.40 -0.14 0.00 -0.00 -0.05 0.18 115.22 112.05 1uit n HIS 56 Ca 0.00 1.13 -0.03 0.00 -0.00 0.00 0.00 57.72 58.81 1uit n HIS 56 Cb 0.07 -1.08 0.05 0.00 -0.00 0.00 0.00 29.99 29.03 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 0.16 -0.55 1.57 4.20 0.87 0.46 115.11 121.82 1uit h GLN 57 Ca 0.47 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.15 1uit h GLN 57 Cb 0.80 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 1uit h GLN 57 CO -0.93 0.10 0.23 0.00 -0.67 0.00 0.00 178.83 177.56 1uit h ALA 58 N 1.37 1.37 -0.03 3.87 0.00 0.40 -3.47 119.26 122.77 1uit h ALA 58 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1uit h ALA 58 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1uit h ALA 58 CO -0.33 0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1uit n GLY 59 N -1.10 0.56 3.90 0.00 0.00 0.82 -4.86 105.19 104.52 1uit n GLY 59 Ca 0.05 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.03 3.73 0.06 0.99 1.43 -1.21 -5.02 118.68 118.63 1uit s LEU 60 Ca 0.00 0.91 -0.05 0.00 -1.03 0.00 0.00 54.13 53.96 1uit s LEU 60 Cb 0.00 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 1uit s LEU 60 CO 0.00 -0.50 0.09 -1.83 0.23 0.00 0.00 176.35 174.34 1uit s GLU 61 N -4.46 0.70 0.57 1.70 1.03 -1.26 -4.83 118.70 112.15 1uit s GLU 61 Ca 0.47 -1.01 -0.14 0.00 0.03 0.00 0.00 54.97 54.32 1uit s GLU 61 Cb -0.10 0.27 -0.06 0.00 -0.80 0.00 0.00 34.13 33.44 1uit s GLU 61 CO 0.41 -0.18 1.01 -0.47 -1.33 0.00 0.00 175.26 174.70 1uit s TYR 62 N -3.59 3.46 0.00 4.83 6.14 -1.26 -3.75 117.35 123.18 1uit s TYR 62 Ca 0.03 1.41 0.00 0.00 0.64 0.00 0.00 57.07 59.15 1uit s TYR 62 Cb 0.05 -2.79 0.00 0.00 0.42 0.00 0.00 41.96 39.64 1uit s TYR 62 CO -0.09 -0.59 0.00 0.41 0.64 0.00 0.00 175.55 175.92 1uit n GLY 63 N -1.96 2.50 3.73 8.97 0.00 -1.18 -4.99 105.19 112.26 1uit n GLY 63 Ca 0.07 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 1uit n GLY 63 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uit n ASP 64 N 0.85 2.59 -4.63 1.61 9.92 -1.25 -4.55 116.55 121.10 1uit n ASP 64 Ca 0.00 1.00 -0.34 0.00 -0.53 0.00 0.00 54.79 54.92 1uit n ASP 64 Cb 0.00 -1.55 -0.10 0.00 -0.64 0.00 0.00 41.12 38.83 1uit n ASP 64 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1uit s GLN 65 N -2.72 3.60 -0.32 -1.24 0.74 -1.22 -2.73 119.66 115.77 1uit s GLN 65 Ca 0.69 -0.40 -0.13 0.00 0.05 0.00 0.00 55.36 55.58 1uit s GLN 65 Cb -0.44 -3.02 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 1uit s GLN 65 CO 0.51 0.41 0.25 -0.51 -0.55 0.00 0.00 175.29 175.41 1uit s LEU 66 N -0.06 4.31 -0.13 3.68 1.43 -0.96 -2.30 118.68 124.65 1uit s LEU 66 Ca 0.05 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 1uit s LEU 66 Cb -0.13 -2.18 -0.25 0.00 0.03 0.00 0.00 46.19 43.67 1uit s LEU 66 CO 0.02 -0.18 0.42 -0.07 0.23 0.00 0.00 176.35 176.76 1uit h LEU 67 N 8.49 0.29 -8.55 1.79 3.38 -1.45 -3.36 115.31 115.90 1uit h LEU 67 Ca -0.32 -0.80 -0.23 0.00 0.09 0.00 0.00 57.88 56.62 1uit h LEU 67 Cb 1.17 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 1uit h LEU 67 CO 0.61 1.66 -0.63 -1.61 0.09 0.00 0.00 178.44 178.56 1uit s GLU 68 N -2.47 1.11 -0.27 1.13 2.02 -1.21 -1.09 118.70 117.92 1uit s GLU 68 Ca -0.23 -1.57 -0.03 0.00 0.02 0.00 0.00 54.97 53.17 1uit s GLU 68 Cb 0.05 0.22 0.11 0.00 0.10 0.00 0.00 34.13 34.62 1uit s GLU 68 CO 0.72 -0.33 0.20 0.12 0.02 0.00 0.00 175.26 175.99 1uit s PHE 69 N -4.09 -0.03 -1.46 1.61 2.19 -0.47 -1.14 117.98 114.60 1uit s PHE 69 Ca 0.33 -0.48 0.00 0.00 0.33 0.00 0.00 56.93 57.11 1uit s PHE 69 Cb 0.07 -0.68 0.00 0.00 -1.31 0.00 0.00 43.02 41.11 1uit s PHE 69 CO 0.08 -0.82 0.00 -1.71 1.83 0.00 0.00 175.22 174.60 1uit n ASN 70 N 5.28 -5.53 0.00 6.13 5.15 0.26 -0.24 115.26 126.31 1uit n ASN 70 Ca -0.05 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1uit n ASN 70 Cb 0.45 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 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 0.06 1.10 3.62 8.20 0.00 -1.26 -4.91 105.19 112.02 1uit n GLY 71 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 1.07 -3.48 -0.61 5.41 0.66 -4.95 119.36 117.46 1uit n ILE 72 Ca 0.00 -0.16 -0.43 0.00 1.00 0.00 0.00 62.75 63.17 1uit n ILE 72 Cb 0.00 -1.01 -0.07 0.00 -0.71 0.00 0.00 39.64 37.85 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 -2.21 5.94 0.03 4.38 2.47 -1.26 -1.37 114.94 122.91 1uit s ASN 73 Ca 0.68 -2.10 -0.17 0.00 0.42 0.00 0.00 52.86 51.69 1uit s ASN 73 Cb -0.26 -2.07 -0.27 0.00 -1.45 0.00 0.00 41.25 37.19 1uit s ASN 73 CO 0.56 -0.68 1.09 -0.07 -3.72 0.00 0.00 177.10 174.28 1uit h LEU 74 N 8.31 0.76 -1.87 3.21 3.38 -1.38 -3.21 115.31 124.51 1uit h LEU 74 Ca -0.16 -0.81 0.54 0.00 0.09 0.00 0.00 57.88 57.54 1uit h LEU 74 Cb 1.06 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.50 1uit h LEU 74 CO 0.87 1.48 1.34 0.54 0.09 0.00 0.00 178.44 182.77 1uit n ARG 75 N -3.95 -0.00 -2.63 1.13 5.12 -0.52 0.16 116.66 115.97 1uit n ARG 75 Ca -0.13 1.03 -0.23 0.00 -1.93 0.00 0.00 57.85 56.59 1uit n ARG 75 Cb 0.88 -2.37 -0.00 0.00 -1.16 0.00 0.00 32.46 29.80 1uit n ARG 75 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1uit n SER 76 N -3.84 3.87 -4.29 0.55 2.88 -1.21 -1.18 113.62 110.40 1uit n SER 76 Ca 0.42 -3.49 -0.15 0.00 -1.33 0.00 0.00 58.87 54.31 1uit n SER 76 Cb 1.91 -0.50 -0.10 0.00 -0.75 0.00 0.00 64.21 64.77 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 -3.39 1.60 0.18 -1.46 0.00 0.42 -4.98 121.76 114.13 1uit s ALA 77 Ca 0.44 -1.64 0.06 0.00 0.00 0.00 0.00 51.96 50.83 1uit s ALA 77 Cb 0.39 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1uit s ALA 77 CO -0.13 -0.21 0.07 0.95 0.00 0.00 0.00 175.76 176.44 1uit s THR 78 N -3.43 4.07 0.39 0.00 -4.23 -1.26 -4.03 115.64 107.14 1uit s THR 78 Ca 0.23 -1.31 0.19 0.00 -1.18 0.00 0.00 61.69 59.62 1uit s THR 78 Cb 0.05 -3.08 0.39 0.00 1.34 0.00 0.00 72.50 71.20 1uit s THR 78 CO 0.05 -0.14 1.72 1.05 -0.54 0.00 0.00 174.62 176.76 1uit h GLU 79 N 2.44 0.35 0.54 3.99 4.11 -1.90 0.42 114.58 124.53 1uit h GLU 79 Ca -0.47 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 1uit h GLU 79 Cb 1.21 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.38 1uit h GLU 79 CO 0.60 0.23 -0.26 1.96 0.07 0.00 0.00 179.01 181.61 1uit h GLN 80 N 0.36 -0.70 -0.54 1.06 4.20 -1.95 0.14 115.11 117.68 1uit h GLN 80 Ca 0.66 0.05 0.04 0.00 0.06 0.00 0.00 58.65 59.46 1uit h GLN 80 Cb 1.67 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 29.57 1uit h GLN 80 CO -0.38 -0.40 0.29 1.96 -0.67 0.00 0.00 178.83 179.62 1uit h GLN 81 N -0.90 0.54 -0.59 1.46 7.50 -1.32 -1.51 115.11 120.28 1uit h GLN 81 Ca -0.07 -0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.08 1uit h GLN 81 Cb 0.62 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.99 1uit h GLN 81 CO 0.12 0.35 0.35 0.00 -1.50 0.00 0.00 178.83 178.15 1uit h ALA 82 N 1.28 0.78 0.00 3.87 0.00 -0.21 1.17 119.26 126.15 1uit h ALA 82 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uit h ALA 82 Cb 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uit h ALA 82 CO -0.15 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.69 1uit n ARG 83 N -4.78 0.07 -0.11 0.00 1.74 0.48 -1.37 116.66 112.69 1uit n ARG 83 Ca 0.06 0.47 -0.19 0.00 -0.77 0.00 0.00 57.85 57.41 1uit n ARG 83 Cb 0.11 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.81 1.85 -0.24 0.55 -0.00 0.93 -3.45 117.00 114.83 1uit n LEU 84 Ca 0.01 0.32 0.03 0.00 -0.00 0.00 0.00 56.01 56.36 1uit n LEU 84 Cb 0.08 -0.74 0.12 0.00 -0.00 0.00 0.00 43.42 42.89 1uit n LEU 84 CO 0.09 0.16 0.80 0.40 -0.00 0.00 0.00 177.39 178.84 1uit h ILE 85 N -0.93 0.38 -0.03 1.47 2.04 0.14 0.93 117.51 121.50 1uit h ILE 85 Ca -0.36 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 1uit h ILE 85 Cb 1.28 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1uit h ILE 85 CO -0.22 0.02 -0.51 0.16 0.00 0.00 0.00 178.15 177.60 1uit h ILE 86 N 0.08 1.36 -0.64 -0.67 3.07 -1.44 -2.84 117.51 116.43 1uit h ILE 86 Ca 0.37 -1.75 -0.40 0.00 1.55 0.00 0.00 64.86 64.63 1uit h ILE 86 Cb 0.62 1.91 -0.19 0.00 -0.27 0.00 0.00 36.82 38.89 1uit h ILE 86 CO -0.63 0.51 0.52 0.61 -1.05 0.00 0.00 178.15 178.10 1uit n GLY 87 N -0.03 4.32 1.73 0.16 0.00 0.30 -4.14 105.19 107.53 1uit n GLY 87 Ca -0.02 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.20 1.00 -3.98 1.61 6.02 -0.16 -4.88 117.38 116.79 1uit n GLN 88 Ca 0.40 -1.49 -0.32 0.00 -0.01 0.00 0.00 57.00 55.58 1uit n GLN 88 Cb 0.81 0.05 -0.05 0.00 1.02 0.00 0.00 30.24 32.07 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 -3.08 3.23 0.00 -1.09 0.00 -1.26 -4.95 119.66 112.51 1uit s GLN 89 Ca 0.19 -0.48 0.00 0.00 -0.00 0.00 0.00 55.36 55.07 1uit s GLN 89 Cb -0.02 -2.94 0.00 0.00 0.00 0.00 0.00 33.01 30.05 1uit s GLN 89 CO 0.12 0.62 0.00 0.00 0.00 0.00 0.00 175.29 176.03 1uit h ASP 91 N 0.00 -0.42 -3.29 0.00 5.19 -1.94 -3.35 116.42 112.61 1uit h ASP 91 Ca 0.00 0.25 -0.44 0.00 -0.62 0.00 0.00 57.03 56.23 1uit h ASP 91 Cb 0.00 0.44 -0.37 0.00 0.18 0.00 0.00 39.33 39.57 1uit h ASP 91 CO 0.00 -0.29 -0.77 -0.89 -3.12 0.00 0.00 179.24 174.17 1uit s THR 92 N -6.04 0.44 0.03 0.35 2.01 -1.26 -0.60 115.64 110.57 1uit s THR 92 Ca -0.13 0.05 0.04 0.00 0.31 0.00 0.00 61.69 61.96 1uit s THR 92 Cb 0.27 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1uit s THR 92 CO 0.77 0.26 -0.13 -0.51 -0.69 0.00 0.00 174.62 174.32 1uit s ILE 93 N 1.74 1.00 0.43 1.82 -1.16 0.07 -4.95 121.20 120.14 1uit s ILE 93 Ca 0.02 -0.89 0.08 0.00 -0.51 0.00 0.00 60.65 59.35 1uit s ILE 93 Cb -0.13 -0.90 -0.01 0.00 0.61 0.00 0.00 42.46 42.03 1uit s ILE 93 CO -0.04 0.02 0.43 -0.89 -2.81 0.00 0.00 174.94 171.65 1uit s THR 94 N -0.77 2.69 -0.07 4.00 2.01 -1.26 0.14 115.64 122.38 1uit s THR 94 Ca 0.01 -1.26 -0.07 0.00 0.31 0.00 0.00 61.69 60.68 1uit s THR 94 Cb -0.07 -2.95 0.02 0.00 0.01 0.00 0.00 72.50 69.51 1uit s THR 94 CO 0.01 0.00 0.20 -0.63 -0.69 0.00 0.00 174.62 173.51 1uit s ILE 95 N -2.46 0.00 -0.30 1.82 1.01 0.94 -0.57 121.20 121.65 1uit s ILE 95 Ca 0.50 -0.02 -0.09 0.00 0.00 0.00 0.00 60.65 61.04 1uit s ILE 95 Cb -0.05 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.12 1uit s ILE 95 CO 0.29 -0.01 0.12 -0.22 0.00 0.00 0.00 174.94 175.12 1uit s LEU 96 N 0.06 3.93 0.04 2.97 1.98 -0.29 -0.55 118.68 126.82 1uit s LEU 96 Ca -0.00 -0.49 0.06 0.00 -2.89 0.00 0.00 54.13 50.81 1uit s LEU 96 Cb -0.02 -1.97 -0.02 0.00 0.66 0.00 0.00 46.19 44.84 1uit s LEU 96 CO 0.00 -0.16 -0.17 0.00 -1.89 0.00 0.00 176.35 174.13 1uit s ALA 97 N 1.60 1.42 -0.31 5.97 0.00 -1.10 -1.15 121.76 128.19 1uit s ALA 97 Ca 0.05 -0.94 0.19 0.00 0.00 0.00 0.00 51.96 51.26 1uit s ALA 97 Cb -0.17 -0.24 0.47 0.00 0.00 0.00 0.00 23.12 23.17 1uit s ALA 97 CO 0.05 0.29 1.00 0.94 0.00 0.00 0.00 175.76 178.04 1uit n GLN 98 N 1.83 1.25 0.00 0.00 7.27 -0.97 -0.15 117.38 126.61 1uit n GLN 98 Ca -0.18 -3.23 0.00 0.00 0.07 0.00 0.00 57.00 53.66 1uit n GLN 98 Cb 0.54 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.94 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 -0.19 0.00 0.00 3.69 9.36 -1.26 -4.41 117.16 124.35 1uit n TYR 99 Ca 0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.30 1uit n TYR 99 Cb 0.82 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.53 1uit n TYR 99 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1uit n ASN 100 N -3.01 0.00 -2.62 2.98 6.94 -1.26 -3.41 115.26 114.88 1uit n ASN 100 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 54.58 54.38 1uit n ASN 100 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1uit n ASN 100 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1uit n PRO 101 N 0.00 2.08 -1.67 -0.53 -0.04 -1.26 -3.42 135.00 130.15 1uit n PRO 101 Ca 0.00 -1.21 -0.02 0.00 -0.04 0.00 0.00 63.50 62.23 1uit n PRO 101 Cb 0.00 -2.20 0.01 0.00 -0.04 0.00 0.00 33.50 31.27 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 3.21 -0.14 0.01 0.54 -0.00 -1.26 -4.91 115.22 112.66 1uit n HIS 102 Ca 0.44 -0.91 0.00 0.00 0.46 0.00 0.00 57.72 57.72 1uit n HIS 102 Cb 0.46 0.34 0.00 0.00 -0.12 0.00 0.00 29.99 30.67 1uit n HIS 102 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1uit n VAL 103 N -0.15 0.14 -0.17 3.57 0.31 -1.22 -4.80 118.33 116.02 1uit n VAL 103 Ca -0.10 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 1uit n VAL 103 Cb 0.89 -1.50 -0.09 0.00 -0.91 0.00 0.00 33.84 32.23 1uit n VAL 103 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 1uit h HIS 104 N 0.00 -1.62 -1.44 3.52 3.86 -1.90 -3.41 115.15 114.16 1uit h HIS 104 Ca 0.00 0.08 -0.71 0.00 -1.16 0.00 0.00 60.37 58.58 1uit h HIS 104 Cb 0.87 0.77 0.06 0.00 1.06 0.00 0.00 27.41 30.17 1uit h HIS 104 CO 0.00 -0.44 0.19 1.04 0.86 0.00 0.00 177.93 179.58 1uit n GLN 105 N -5.18 0.65 -1.44 2.45 6.02 -1.26 -4.44 117.38 114.17 1uit n GLN 105 Ca -0.03 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1uit n GLN 105 Cb 0.31 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.83 1uit n GLN 105 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1uit n LEU 106 N 2.00 -1.66 -2.45 1.08 4.77 -1.26 -4.98 117.00 114.49 1uit n LEU 106 Ca 0.18 2.65 -0.04 0.00 -0.03 0.00 0.00 56.01 58.78 1uit n LEU 106 Cb 0.17 -2.76 -0.03 0.00 -2.33 0.00 0.00 43.42 38.46 1uit n LEU 106 CO 0.61 -0.50 -0.55 -0.24 -1.33 0.00 0.00 177.39 175.38 1uit n SER 107 N -2.17 -1.82 -3.65 -1.43 2.88 -1.26 -4.98 113.62 101.18 1uit n SER 107 Ca 0.00 1.17 -0.02 0.00 -1.33 0.00 0.00 58.87 58.69 1uit n SER 107 Cb 0.35 -4.67 -0.07 0.00 -0.75 0.00 0.00 64.21 59.07 1uit n SER 107 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1uit s SER 108 N -0.74 -0.00 0.05 -3.46 1.04 -1.26 -4.88 113.70 104.45 1uit s SER 108 Ca -0.20 0.00 0.09 0.00 0.48 0.00 0.00 55.95 56.32 1uit s SER 108 Cb 0.01 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 1uit s SER 108 CO 0.68 -0.00 -0.26 -2.28 0.98 0.00 0.00 173.24 172.36 1uit s HIS 109 N -0.02 2.31 -0.10 5.02 2.46 -1.26 -5.13 115.29 118.57 1uit s HIS 109 Ca 0.08 -0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.23 1uit s HIS 109 Cb -0.05 -1.38 -0.00 0.00 -0.13 0.00 0.00 32.58 31.01 1uit s HIS 109 CO -0.17 0.13 -0.23 -1.12 -2.47 0.00 0.00 174.74 170.88 1uit s SER 110 N -1.25 3.19 0.11 9.88 0.01 -1.26 -5.12 113.70 119.27 1uit s SER 110 Ca 0.12 -0.54 -0.15 0.00 1.31 0.00 0.00 55.95 56.70 1uit s SER 110 Cb -0.10 -1.43 0.03 0.00 0.21 0.00 0.00 66.02 64.72 1uit s SER 110 CO 0.02 0.16 0.35 -0.60 0.41 0.00 0.00 173.24 173.58 1uit s ARG 111 N 0.36 1.00 -0.29 12.44 6.06 -1.26 -5.03 118.95 132.22 1uit s ARG 111 Ca -0.18 -0.73 -0.04 0.00 -2.50 0.00 0.00 55.73 52.29 1uit s ARG 111 Cb -0.18 0.43 0.00 0.00 0.06 0.00 0.00 34.95 35.27 1uit s ARG 111 CO 0.08 -0.37 0.11 0.45 -2.50 0.00 0.00 175.30 173.07 1uit n SER 112 N -0.11 -7.79 -4.88 -2.12 2.88 -1.26 -5.02 113.62 95.32 1uit n SER 112 Ca -0.16 1.13 -0.24 0.00 -1.33 0.00 0.00 58.87 58.27 1uit n SER 112 Cb 0.63 -4.79 -0.04 0.00 -0.75 0.00 0.00 64.21 59.26 1uit n SER 112 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uit s GLY 113 N -1.71 1.53 1.07 0.46 0.00 -1.26 -5.12 107.32 102.29 1uit s GLY 113 Ca 0.05 -1.22 -0.18 0.00 0.00 0.00 0.00 44.72 43.37 1uit s GLY 113 CO 0.69 -1.24 1.18 -1.55 0.00 0.00 0.00 173.10 172.18 1uit n PRO 114 N -0.84 -2.15 0.07 2.90 -0.04 -1.26 -5.05 135.00 128.63 1uit n PRO 114 Ca -0.08 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.53 1uit n PRO 114 Cb 0.56 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1uit n PRO 114 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1uit n SER 115 N -4.31 0.59 -4.89 3.54 7.64 -1.26 -5.09 113.62 109.84 1uit n SER 115 Ca 0.15 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.95 1uit n SER 115 Cb 0.57 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1uit n SER 115 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uit s SER 116 N -5.57 5.98 0.00 6.43 0.15 -1.26 -5.38 113.70 114.06 1uit s SER 116 Ca 0.00 1.14 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1uit s SER 116 Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1uit s SER 116 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12