#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 -0.44 0.20 1.61 1.04 -1.26 -5.19 113.70 109.66 1uit s SER 2 Ca 0.00 0.18 -0.11 0.00 0.48 0.00 0.00 55.95 56.50 1uit s SER 2 Cb 0.00 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 1uit s SER 2 CO 0.00 -0.62 0.38 -0.44 0.98 0.00 0.00 173.24 173.54 1uit s SER 3 N -2.06 -0.05 0.53 7.02 0.01 -1.26 -5.18 113.70 112.70 1uit s SER 3 Ca 0.01 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.49 1uit s SER 3 Cb -0.01 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.76 1uit s SER 3 CO -0.05 -1.00 0.37 -0.83 0.41 0.00 0.00 173.24 172.15 1uit s GLY 4 N -2.97 2.38 0.05 3.44 0.00 -1.26 -5.15 107.32 103.80 1uit s GLY 4 Ca 0.18 -1.31 -0.27 0.00 0.00 0.00 0.00 44.72 43.32 1uit s GLY 4 CO 0.03 -1.93 0.66 -1.35 0.00 0.00 0.00 173.10 170.51 1uit s SER 5 N -4.23 -0.60 -0.00 1.64 1.04 -1.26 -5.18 113.70 105.11 1uit s SER 5 Ca 0.34 0.35 -0.30 0.00 0.48 0.00 0.00 55.95 56.82 1uit s SER 5 Cb -0.02 0.55 0.11 0.00 0.10 0.00 0.00 66.02 66.77 1uit s SER 5 CO 0.21 -0.77 1.23 -0.44 0.98 0.00 0.00 173.24 174.45 1uit s SER 6 N -1.96 -0.08 0.00 7.02 0.01 -1.26 -5.19 113.70 112.23 1uit s SER 6 Ca -0.04 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1uit s SER 6 Cb -0.01 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1uit s SER 6 CO -0.02 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1uit n GLY 7 N -0.46 3.89 3.36 3.44 0.00 -1.26 -5.08 105.19 109.08 1uit n GLY 7 Ca -0.08 -1.00 -0.52 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.17 3.64 -0.02 0.00 -1.26 -4.85 105.19 102.53 1uit n GLY 8 Ca 0.00 1.09 -0.09 0.00 0.00 0.00 0.00 46.02 47.02 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 7.03 0.57 -0.47 1.61 -6.30 -1.26 -5.10 118.70 114.77 1uit s GLU 9 Ca 1.23 0.72 -0.39 0.00 -2.50 0.00 0.00 54.97 54.03 1uit s GLU 9 Cb -1.30 0.25 -0.16 0.00 0.00 0.00 0.00 34.13 32.92 1uit s GLU 9 CO 0.57 -0.07 2.20 0.54 0.02 0.00 0.00 175.26 178.52 1uit n ARG 10 N 2.58 0.47 -0.73 4.30 3.00 -1.26 -4.87 116.66 120.15 1uit n ARG 10 Ca -0.14 0.12 -0.30 0.00 -0.01 0.00 0.00 57.85 57.53 1uit n ARG 10 Cb 0.56 -1.94 0.20 0.00 0.00 0.00 0.00 32.46 31.28 1uit n ARG 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 1uit s ARG 11 N 6.34 0.23 -0.11 5.56 1.70 -1.26 -5.05 118.95 126.35 1uit s ARG 11 Ca 1.16 1.11 -0.30 0.00 -0.47 0.00 0.00 55.73 57.24 1uit s ARG 11 Cb -1.19 -1.67 0.12 0.00 -0.57 0.00 0.00 34.95 31.64 1uit s ARG 11 CO 0.57 -3.03 0.98 0.21 -1.08 0.00 0.00 175.30 172.95 1uit s LYS 12 N -4.62 0.64 0.59 3.89 2.20 -1.26 -5.15 119.74 116.03 1uit s LYS 12 Ca 0.67 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1uit s LYS 12 Cb -0.23 0.30 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1uit s LYS 12 CO 0.61 -0.23 0.00 -3.47 -0.36 0.00 0.00 175.35 171.89 1uit n ASP 13 N 0.35 -8.20 -4.78 1.43 2.03 -1.26 -4.82 116.55 101.30 1uit n ASP 13 Ca -0.09 1.34 -0.37 0.00 0.52 0.00 0.00 54.79 56.19 1uit n ASP 13 Cb 0.59 -4.93 -0.06 0.00 -0.72 0.00 0.00 41.12 36.00 1uit n ASP 13 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1uit s ARG 14 N -3.99 4.55 0.13 -0.67 0.52 -1.26 -4.97 118.95 113.25 1uit s ARG 14 Ca 0.00 1.24 -0.05 0.00 -0.52 0.00 0.00 55.73 56.40 1uit s ARG 14 Cb 0.00 -2.91 -0.07 0.00 0.52 0.00 0.00 34.95 32.49 1uit s ARG 14 CO 0.00 0.35 1.33 -1.00 0.02 0.00 0.00 175.30 176.00 1uit h PRO 15 N 3.43 0.48 0.00 3.54 0.13 -2.02 -3.46 132.00 134.10 1uit h PRO 15 Ca -0.47 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1uit h PRO 15 Cb 1.19 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1uit h PRO 15 CO 0.65 1.10 0.00 0.98 -0.23 0.00 0.00 178.00 180.51 1uit n TYR 16 N -3.80 -1.75 -4.08 1.56 4.19 -1.26 -5.15 117.16 106.86 1uit n TYR 16 Ca -0.06 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 60.86 1uit n TYR 16 Cb 0.80 0.35 -0.01 0.00 0.49 0.00 0.00 39.34 40.96 1uit n TYR 16 CO 0.00 0.00 0.00 0.14 0.91 0.00 0.00 176.86 177.91 1uit s VAL 17 N -1.90 1.43 -0.68 2.97 -7.23 -1.26 -5.05 120.40 108.67 1uit s VAL 17 Ca 0.00 -1.60 -0.27 0.00 -1.81 0.00 0.00 61.98 58.30 1uit s VAL 17 Cb 0.00 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.94 1uit s VAL 17 CO 0.00 0.00 1.35 -1.61 -0.31 0.00 0.00 175.10 174.53 1uit s GLU 18 N -4.23 3.18 0.81 4.82 0.41 -1.25 -4.80 118.70 117.64 1uit s GLU 18 Ca 0.26 -0.00 -0.16 0.00 -0.41 0.00 0.00 54.97 54.66 1uit s GLU 18 Cb -0.02 -4.18 -0.14 0.00 -1.78 0.00 0.00 34.13 28.01 1uit s GLU 18 CO 0.16 -2.14 -0.59 0.39 -0.49 0.00 0.00 175.26 172.60 1uit n GLU 19 N 9.16 0.00 -2.50 1.61 1.02 -1.26 -4.21 120.64 124.47 1uit n GLU 19 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 1uit n GLU 19 Cb 0.49 -0.93 -0.04 0.00 -0.02 0.00 0.00 31.44 30.94 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 -1.62 4.63 0.41 3.49 0.04 -1.26 -4.69 135.00 136.00 1uit s PRO 20 Ca 0.41 1.76 0.07 0.00 0.04 0.00 0.00 61.00 63.29 1uit s PRO 20 Cb -0.24 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 1uit s PRO 20 CO 0.73 0.17 0.21 -0.98 0.04 0.00 0.00 177.00 177.16 1uit s ARG 21 N -0.98 2.27 -0.61 4.56 3.03 -0.28 -4.98 118.95 121.96 1uit s ARG 21 Ca 0.46 -1.80 0.04 0.00 2.03 0.00 0.00 55.73 56.47 1uit s ARG 21 Cb -0.31 -2.04 0.16 0.00 -1.03 0.00 0.00 34.95 31.74 1uit s ARG 21 CO 0.38 -0.12 0.42 -1.01 -1.13 0.00 0.00 175.30 173.84 1uit s HIS 22 N -2.58 2.92 0.03 5.89 3.76 -1.26 -2.56 115.29 121.49 1uit s HIS 22 Ca 0.42 -3.05 -0.30 0.00 -0.15 0.00 0.00 55.06 51.98 1uit s HIS 22 Cb 0.03 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 1uit s HIS 22 CO 0.23 -0.64 1.05 0.08 -0.85 0.00 0.00 174.74 174.61 1uit s VAL 23 N -0.88 4.55 0.35 -0.90 1.01 0.07 -4.79 120.40 119.81 1uit s VAL 23 Ca 0.25 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 1uit s VAL 23 Cb -0.07 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1uit s VAL 23 CO -0.14 0.16 0.58 -0.54 0.00 0.00 0.00 175.10 175.16 1uit s LYS 24 N 0.92 3.51 -0.03 2.72 1.02 -1.26 0.10 119.74 126.72 1uit s LYS 24 Ca 0.54 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.33 1uit s LYS 24 Cb -0.24 -2.63 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 1uit s LYS 24 CO 0.29 0.11 -0.06 0.08 -0.92 0.00 0.00 175.35 174.85 1uit s VAL 25 N -2.34 0.61 -0.88 3.17 1.01 0.28 -4.64 120.40 117.61 1uit s VAL 25 Ca 0.41 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.17 1uit s VAL 25 Cb -0.10 -0.58 0.29 0.00 0.00 0.00 0.00 36.38 36.00 1uit s VAL 25 CO 0.36 0.21 1.23 0.00 0.00 0.00 0.00 175.10 176.90 1uit n GLN 26 N 3.56 3.82 0.00 2.72 6.02 -1.26 -1.73 117.38 130.51 1uit n GLN 26 Ca -0.21 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.14 1uit n GLN 26 Cb 0.53 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.40 1uit n GLN 26 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1uit n LYS 27 N 0.86 0.00 0.00 -1.09 3.00 0.48 -4.84 118.16 116.56 1uit n LYS 27 Ca 0.30 0.13 0.00 0.00 -0.00 0.00 0.00 58.31 58.74 1uit n LYS 27 Cb 0.35 -0.97 0.00 0.00 0.00 0.00 0.00 35.03 34.41 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 -0.60 2.04 2.29 3.14 0.00 0.19 -3.78 105.19 108.46 1uit n GLY 28 Ca 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1uit n GLY 28 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uit n SER 29 N 3.94 -1.12 -4.16 1.61 7.64 -1.26 -4.62 113.62 115.66 1uit n SER 29 Ca 0.00 -1.92 -0.10 0.00 1.01 0.00 0.00 58.87 57.86 1uit n SER 29 Cb 0.00 0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.09 0.84 0.98 1.43 2.02 -1.25 -5.16 118.70 117.66 1uit s GLU 30 Ca 0.06 -1.36 -0.15 0.00 0.02 0.00 0.00 54.97 53.54 1uit s GLU 30 Cb 0.32 0.01 0.18 0.00 0.10 0.00 0.00 34.13 34.75 1uit s GLU 30 CO -0.09 -0.12 1.17 -1.25 0.02 0.00 0.00 175.26 174.98 1uit s PRO 31 N -3.93 0.53 -0.18 0.39 0.04 -1.26 -4.88 135.00 125.71 1uit s PRO 31 Ca 0.16 0.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.09 1uit s PRO 31 Cb 0.07 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.69 1uit s PRO 31 CO -0.03 -2.57 0.09 1.25 0.04 0.00 0.00 177.00 175.78 1uit h LEU 32 N -1.76 0.00 -2.76 -3.56 5.85 -1.95 -3.14 115.31 107.99 1uit h LEU 32 Ca -0.48 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 57.83 1uit h LEU 32 Cb 1.30 0.00 0.06 0.00 0.37 0.00 0.00 40.66 42.40 1uit h LEU 32 CO 0.51 1.16 -0.28 0.61 -0.34 0.00 0.00 178.44 180.10 1uit n GLY 33 N 1.52 -0.15 3.00 3.75 0.00 -1.26 -1.73 105.19 110.32 1uit n GLY 33 Ca -0.21 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.13 0.05 -0.04 -0.61 -4.36 -1.26 0.82 121.20 112.67 1uit s ILE 34 Ca 0.15 -0.43 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 1uit s ILE 34 Cb -0.02 -0.23 -0.03 0.00 1.25 0.00 0.00 42.46 43.42 1uit s ILE 34 CO 0.32 -0.24 -0.01 -0.55 0.24 0.00 0.00 174.94 174.70 1uit s SER 35 N -0.74 5.08 0.09 4.36 0.15 0.10 -4.96 113.70 117.78 1uit s SER 35 Ca -0.08 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.64 1uit s SER 35 Cb -0.05 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 1uit s SER 35 CO 0.00 0.33 -0.09 0.27 1.20 0.00 0.00 173.24 174.96 1uit s ILE 36 N -0.96 0.81 0.04 6.45 -5.25 -1.26 0.40 121.20 121.43 1uit s ILE 36 Ca 0.16 -1.67 -0.01 0.00 -0.99 0.00 0.00 60.65 58.14 1uit s ILE 36 Cb -0.11 -1.37 -0.03 0.00 2.95 0.00 0.00 42.46 43.89 1uit s ILE 36 CO 0.06 -0.64 -0.02 0.68 -1.79 0.00 0.00 174.94 173.23 1uit s VAL 37 N -2.70 0.18 0.03 8.37 -7.23 0.62 -4.75 120.40 114.92 1uit s VAL 37 Ca 0.06 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.80 1uit s VAL 37 Cb -0.01 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1uit s VAL 37 CO -0.01 -0.80 -0.02 -0.55 -0.31 0.00 0.00 175.10 173.40 1uit s SER 38 N -2.39 4.94 0.20 4.85 0.15 -1.26 -1.04 113.70 119.16 1uit s SER 38 Ca -0.01 -0.11 0.05 0.00 0.70 0.00 0.00 55.95 56.58 1uit s SER 38 Cb 0.01 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.08 1uit s SER 38 CO -0.07 0.24 0.26 -0.83 1.20 0.00 0.00 173.24 174.05 1uit s GLY 39 N -1.78 1.49 0.17 9.45 0.00 -0.19 -4.97 107.32 111.50 1uit s GLY 39 Ca 0.21 -1.21 -0.28 0.00 0.00 0.00 0.00 44.72 43.43 1uit s GLY 39 CO 0.12 -1.23 1.52 1.18 0.00 0.00 0.00 173.10 174.69 1uit n GLU 40 N -0.91 -0.40 -0.09 2.90 1.02 -1.26 0.02 120.64 121.92 1uit n GLU 40 Ca -0.08 1.50 -0.10 0.00 -0.02 0.00 0.00 57.16 58.45 1uit n GLU 40 Cb 0.56 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 1uit n GLU 40 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1uit h LYS 41 N 0.00 0.44 0.00 3.49 6.56 -2.05 -3.49 116.57 121.52 1uit h LYS 41 Ca 0.19 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1uit h LYS 41 Cb 0.44 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1uit h LYS 41 CO -0.94 0.51 0.00 0.41 -2.06 0.00 0.00 179.45 177.37 1uit n GLY 42 N -0.60 -0.20 1.39 3.86 0.00 0.10 -5.00 105.19 104.74 1uit n GLY 42 Ca -0.03 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.08 3.22 -0.02 0.00 -1.26 -1.02 105.19 103.03 1uit n GLY 43 Ca 0.00 -0.88 -0.31 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 -4.54 1.95 -0.02 -0.61 -1.09 -1.26 -3.07 121.20 112.56 1uit s ILE 44 Ca 0.00 -0.98 0.06 0.00 -2.23 0.00 0.00 60.65 57.50 1uit s ILE 44 Cb 0.00 -1.67 -0.01 0.00 -1.58 0.00 0.00 42.46 39.19 1uit s ILE 44 CO 0.00 0.54 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.74 1uit s TYR 45 N 0.14 1.81 0.03 3.97 1.51 -0.20 -2.62 117.35 121.99 1uit s TYR 45 Ca -0.11 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.24 1uit s TYR 45 Cb -0.16 -1.18 -0.07 0.00 -0.11 0.00 0.00 41.96 40.45 1uit s TYR 45 CO 0.06 -0.08 1.56 0.08 -1.11 0.00 0.00 175.55 176.07 1uit s VAL 46 N -0.33 3.32 -0.13 0.71 1.01 -1.26 -0.28 120.40 123.46 1uit s VAL 46 Ca 0.04 0.72 0.19 0.00 0.00 0.00 0.00 61.98 62.93 1uit s VAL 46 Cb -0.09 -3.46 -0.20 0.00 0.00 0.00 0.00 36.38 32.62 1uit s VAL 46 CO 0.00 -0.01 0.58 -0.24 0.00 0.00 0.00 175.10 175.44 1uit n SER 47 N 5.64 0.42 -3.67 3.32 2.88 0.16 -2.85 113.62 119.54 1uit n SER 47 Ca 0.15 0.18 0.02 0.00 -1.33 0.00 0.00 58.87 57.90 1uit n SER 47 Cb 0.42 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.77 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 -3.04 0.30 -0.22 -1.46 2.47 -1.19 -4.93 119.74 111.67 1uit s LYS 48 Ca -0.06 -0.18 -0.08 0.00 -1.56 0.00 0.00 55.97 54.10 1uit s LYS 48 Cb 0.10 0.10 0.10 0.00 -1.46 0.00 0.00 37.83 36.66 1uit s LYS 48 CO 0.84 -0.14 0.48 0.54 0.16 0.00 0.00 175.35 177.23 1uit s VAL 49 N -2.22 -0.70 0.62 4.02 0.11 -1.26 0.01 120.40 120.98 1uit s VAL 49 Ca 0.19 0.12 -0.18 0.00 -2.93 0.00 0.00 61.98 59.17 1uit s VAL 49 Cb 0.04 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 1uit s VAL 49 CO -0.04 0.05 1.14 0.41 -3.33 0.00 0.00 175.10 173.34 1uit n THR 50 N 5.33 4.35 -3.46 5.04 -1.04 0.24 -4.92 114.28 119.83 1uit n THR 50 Ca -0.10 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.03 1uit n THR 50 Cb 0.50 -1.34 -0.06 0.00 -1.82 0.00 0.00 70.33 67.61 1uit n THR 50 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1uit s VAL 51 N -1.44 5.15 0.00 12.58 0.11 -1.26 -3.75 120.40 131.79 1uit s VAL 51 Ca 0.79 0.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.64 1uit s VAL 51 Cb -0.40 -3.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1uit s VAL 51 CO 0.44 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 173.28 1uit n GLY 52 N 2.60 2.60 3.60 6.54 0.00 -1.26 -5.00 105.19 114.28 1uit n GLY 52 Ca -0.12 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 0.38 2.18 0.18 1.61 0.01 -1.26 -4.52 113.70 112.29 1uit s SER 53 Ca 0.00 1.96 -0.26 0.00 1.31 0.00 0.00 55.95 58.96 1uit s SER 53 Cb 0.00 -2.48 0.03 0.00 0.21 0.00 0.00 66.02 63.78 1uit s SER 53 CO 0.00 -3.53 1.51 -0.38 0.41 0.00 0.00 173.24 171.25 1uit n ILE 54 N -4.50 -0.61 -0.04 1.44 2.08 -1.19 -0.91 119.36 115.62 1uit n ILE 54 Ca 0.09 2.34 -0.01 0.00 0.56 0.00 0.00 62.75 65.72 1uit n ILE 54 Cb 0.53 -2.95 -0.01 0.00 -0.75 0.00 0.00 39.64 36.46 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 -3.34 -0.07 -0.39 -1.39 0.00 -0.71 -0.04 120.51 114.58 1uit n ALA 55 Ca 0.05 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1uit n ALA 55 Cb 0.30 0.40 -0.06 0.00 0.00 0.00 0.00 19.45 20.09 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 -3.18 -0.31 -0.28 0.00 -0.00 -0.09 0.16 115.22 111.52 1uit n HIS 56 Ca 0.00 1.17 0.10 0.00 -0.00 0.00 0.00 57.72 58.99 1uit n HIS 56 Cb 0.03 -0.64 0.24 0.00 -0.00 0.00 0.00 29.99 29.62 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 0.26 -0.74 1.57 4.20 0.26 0.54 115.11 121.19 1uit h GLN 57 Ca 0.19 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1uit h GLN 57 Cb 0.43 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1uit h GLN 57 CO -0.90 0.17 0.41 0.00 -0.67 0.00 0.00 178.83 177.84 1uit h ALA 58 N 1.70 0.95 0.00 3.87 0.00 0.52 -3.47 119.26 122.84 1uit h ALA 58 Ca 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1uit h ALA 58 Cb 0.92 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1uit h ALA 58 CO -0.58 0.46 0.00 0.41 0.00 0.00 0.00 179.25 179.54 1uit n GLY 59 N -1.09 0.82 3.88 0.00 0.00 0.19 -4.81 105.19 104.18 1uit n GLY 59 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1uit n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uit s LEU 60 N 0.00 3.57 0.18 0.99 1.43 -1.21 -5.03 118.68 118.62 1uit s LEU 60 Ca 0.00 1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 54.22 1uit s LEU 60 Cb 0.00 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 1uit s LEU 60 CO 0.00 -0.62 0.27 -1.83 0.23 0.00 0.00 176.35 174.40 1uit s GLU 61 N -4.56 1.22 0.49 1.70 -1.05 -1.26 -4.83 118.70 110.42 1uit s GLU 61 Ca 0.52 -1.31 -0.16 0.00 -0.15 0.00 0.00 54.97 53.87 1uit s GLU 61 Cb -0.10 0.36 -0.08 0.00 -0.44 0.00 0.00 34.13 33.87 1uit s GLU 61 CO 0.42 -0.44 0.95 -0.47 0.95 0.00 0.00 175.26 176.67 1uit s TYR 62 N -4.03 3.45 0.00 4.83 6.14 -1.26 -3.58 117.35 122.91 1uit s TYR 62 Ca 0.23 1.40 0.00 0.00 0.64 0.00 0.00 57.07 59.34 1uit s TYR 62 Cb 0.04 -2.73 0.00 0.00 0.42 0.00 0.00 41.96 39.69 1uit s TYR 62 CO 0.05 -0.31 0.00 0.41 0.64 0.00 0.00 175.55 176.33 1uit n GLY 63 N -1.50 2.05 3.55 8.97 0.00 -1.13 -4.95 105.19 112.19 1uit n GLY 63 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.53 6.36 0.05 1.61 1.11 -1.23 -4.16 116.67 116.88 1uit s ASP 64 Ca 0.00 -1.06 -0.30 0.00 0.18 0.00 0.00 52.55 51.36 1uit s ASP 64 Cb 0.00 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.34 1uit s ASP 64 CO 0.00 -1.63 1.96 1.67 1.18 0.00 0.00 175.17 178.35 1uit n GLN 65 N 9.01 2.86 -2.48 8.23 7.27 -1.26 -4.10 117.38 136.91 1uit n GLN 65 Ca 0.20 1.05 -0.41 0.00 0.07 0.00 0.00 57.00 57.91 1uit n GLN 65 Cb 0.50 -2.99 -0.03 0.00 2.41 0.00 0.00 30.24 30.13 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 4.20 3.28 -0.04 1.69 1.43 -1.08 -2.95 118.68 125.21 1uit s LEU 66 Ca 0.88 -0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 53.62 1uit s LEU 66 Cb -0.44 -2.78 -0.23 0.00 0.03 0.00 0.00 46.19 42.77 1uit s LEU 66 CO 0.41 -1.79 1.06 -0.07 0.23 0.00 0.00 176.35 176.19 1uit h LEU 67 N 13.14 0.24 -7.49 1.79 3.38 -1.09 -3.38 115.31 121.90 1uit h LEU 67 Ca -0.27 -0.74 -0.13 0.00 0.09 0.00 0.00 57.88 56.83 1uit h LEU 67 Cb 1.07 -0.07 -0.22 0.00 0.09 0.00 0.00 40.66 41.53 1uit h LEU 67 CO 1.24 0.95 -0.32 -1.61 0.09 0.00 0.00 178.44 178.79 1uit s GLU 68 N -3.25 0.54 -0.25 1.13 2.02 -0.95 -1.96 118.70 115.98 1uit s GLU 68 Ca -0.16 0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.87 1uit s GLU 68 Cb 0.01 0.24 0.07 0.00 0.10 0.00 0.00 34.13 34.56 1uit s GLU 68 CO 0.74 -0.12 -0.01 0.12 0.02 0.00 0.00 175.26 176.01 1uit s PHE 69 N -0.75 2.23 -0.53 1.61 2.19 -0.91 0.72 117.98 122.54 1uit s PHE 69 Ca -0.08 -1.73 0.00 0.00 0.33 0.00 0.00 56.93 55.45 1uit s PHE 69 Cb -0.04 -1.63 0.00 0.00 -1.31 0.00 0.00 43.02 40.04 1uit s PHE 69 CO 0.03 -0.78 0.00 -1.71 1.83 0.00 0.00 175.22 174.59 1uit n ASN 70 N 4.71 -5.39 0.00 6.13 2.85 -0.11 -1.55 115.26 121.90 1uit n ASN 70 Ca -0.09 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 1uit n ASN 70 Cb 0.44 -3.33 0.00 0.00 1.24 0.00 0.00 39.78 38.13 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 0.01 1.61 3.22 8.20 0.00 -1.26 -4.95 105.19 112.02 1uit n GLY 71 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 2.81 -0.89 -0.61 1.01 -0.59 -5.02 121.20 115.91 1uit s ILE 72 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.66 1uit s ILE 72 Cb 0.00 -2.27 -0.17 0.00 0.01 0.00 0.00 42.46 40.03 1uit s ILE 72 CO 0.00 0.44 2.32 0.20 0.00 0.00 0.00 174.94 177.90 1uit s ASN 73 N 1.39 3.68 0.13 3.58 0.01 -1.26 -2.14 114.94 120.32 1uit s ASN 73 Ca 0.05 -0.29 -0.19 0.00 -0.71 0.00 0.00 52.86 51.73 1uit s ASN 73 Cb -0.14 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 1uit s ASN 73 CO -0.07 -4.24 1.76 -0.07 -1.51 0.00 0.00 177.10 172.97 1uit h LEU 74 N 22.65 0.31 -7.81 0.60 -0.00 -1.64 -3.43 115.31 126.00 1uit h LEU 74 Ca 0.00 -0.04 -0.76 0.00 -0.00 0.00 0.00 57.88 57.08 1uit h LEU 74 Cb 1.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.57 1uit h LEU 74 CO 1.00 0.26 0.84 0.54 -0.00 0.00 0.00 178.44 181.08 1uit n ARG 75 N -4.88 0.00 -1.18 1.13 1.74 -1.22 0.15 116.66 112.40 1uit n ARG 75 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1uit n ARG 75 Cb 0.04 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1uit n ARG 75 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uit n SER 76 N 4.80 -1.13 -4.82 0.55 2.88 -1.26 -4.95 113.62 109.69 1uit n SER 76 Ca 0.36 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.54 1uit n SER 76 Cb -0.05 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 62.99 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 -2.00 3.76 0.22 -1.46 0.00 0.40 -4.91 121.76 117.77 1uit s ALA 77 Ca 0.00 -0.67 -0.25 0.00 0.00 0.00 0.00 51.96 51.04 1uit s ALA 77 Cb 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 1uit s ALA 77 CO 0.00 0.51 0.82 0.95 0.00 0.00 0.00 175.76 178.04 1uit s THR 78 N -0.68 4.34 0.44 0.00 -4.23 -1.26 -4.46 115.64 109.79 1uit s THR 78 Ca 0.13 1.69 0.32 0.00 -1.18 0.00 0.00 61.69 62.65 1uit s THR 78 Cb -0.12 -4.08 0.50 0.00 1.34 0.00 0.00 72.50 70.15 1uit s THR 78 CO 0.02 0.38 1.59 1.05 -0.54 0.00 0.00 174.62 177.12 1uit h GLU 79 N 3.87 0.03 -0.18 3.99 4.11 -1.91 1.51 114.58 126.00 1uit h GLU 79 Ca -0.47 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 1uit h GLU 79 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1uit h GLU 79 CO 0.66 0.02 -0.03 1.96 0.07 0.00 0.00 179.01 181.69 1uit h GLN 80 N 0.03 0.33 0.43 1.06 4.20 -1.97 -1.78 115.11 117.41 1uit h GLN 80 Ca 0.87 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 59.44 1uit h GLN 80 Cb 2.78 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 30.53 1uit h GLN 80 CO -0.44 0.58 -0.25 1.96 -0.67 0.00 0.00 178.83 180.00 1uit h GLN 81 N 0.05 -0.62 -0.03 1.46 7.50 0.17 -2.56 115.11 121.08 1uit h GLN 81 Ca 0.05 0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.25 1uit h GLN 81 Cb 0.45 0.14 -0.03 0.00 0.05 0.00 0.00 27.48 28.09 1uit h GLN 81 CO 0.01 -0.41 -0.27 0.00 -1.50 0.00 0.00 178.83 176.66 1uit h ALA 82 N -0.10 -0.70 -1.82 3.87 0.00 -1.11 1.37 119.26 120.78 1uit h ALA 82 Ca -0.05 -0.04 0.53 0.00 0.00 0.00 0.00 54.91 55.35 1uit h ALA 82 Cb 0.52 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1uit h ALA 82 CO 0.06 -0.79 1.30 0.54 0.00 0.00 0.00 179.25 180.36 1uit n ARG 83 N -4.00 -0.00 -0.07 0.00 1.74 -0.67 0.19 116.66 113.84 1uit n ARG 83 Ca -0.03 1.03 -0.09 0.00 -0.77 0.00 0.00 57.85 57.98 1uit n ARG 83 Cb 0.20 -2.35 -0.05 0.00 -1.02 0.00 0.00 32.46 29.24 1uit n ARG 83 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1uit h LEU 84 N 0.00 0.00 -0.36 0.55 3.38 -0.00 -0.53 115.31 118.35 1uit h LEU 84 Ca 0.88 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 58.65 1uit h LEU 84 Cb 3.48 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 44.16 1uit h LEU 84 CO -0.05 0.93 -0.11 0.40 0.09 0.00 0.00 178.44 179.70 1uit h ILE 85 N -1.00 0.59 -0.27 1.22 2.04 0.72 -0.96 117.51 119.86 1uit h ILE 85 Ca -0.09 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.60 1uit h ILE 85 Cb 0.68 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1uit h ILE 85 CO -0.06 0.00 -0.49 0.16 0.00 0.00 0.00 178.15 177.76 1uit h ILE 86 N -0.03 1.29 -0.37 -0.67 3.07 0.19 -3.14 117.51 117.85 1uit h ILE 86 Ca 0.18 -1.69 -0.25 0.00 1.55 0.00 0.00 64.86 64.65 1uit h ILE 86 Cb 0.30 1.69 -0.10 0.00 -0.27 0.00 0.00 36.82 38.44 1uit h ILE 86 CO -0.39 0.54 0.11 0.61 -1.05 0.00 0.00 178.15 177.97 1uit n GLY 87 N 0.37 3.48 1.36 0.16 0.00 -0.21 -4.87 105.19 105.50 1uit n GLY 87 Ca -0.05 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.87 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 1.28 0.97 -4.15 1.61 6.02 -0.48 -4.75 117.38 117.88 1uit n GLN 88 Ca 0.30 -1.13 -0.32 0.00 -0.01 0.00 0.00 57.00 55.84 1uit n GLN 88 Cb 0.64 -0.02 -0.08 0.00 1.02 0.00 0.00 30.24 31.80 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 -2.88 2.86 0.00 -1.09 1.03 -1.26 -5.02 119.66 113.30 1uit s GLN 89 Ca 0.18 -0.63 0.00 0.00 0.04 0.00 0.00 55.36 54.95 1uit s GLN 89 Cb -0.01 -2.72 0.00 0.00 0.03 0.00 0.00 33.01 30.31 1uit s GLN 89 CO 0.11 0.60 0.00 0.00 -2.54 0.00 0.00 175.29 173.47 1uit h ASP 91 N 0.00 -0.58 -3.35 0.00 3.32 -1.95 -3.38 116.42 110.48 1uit h ASP 91 Ca 0.00 0.23 -0.48 0.00 0.02 0.00 0.00 57.03 56.80 1uit h ASP 91 Cb 0.00 0.44 -0.35 0.00 0.22 0.00 0.00 39.33 39.64 1uit h ASP 91 CO 0.00 -0.25 -0.79 -0.89 -1.72 0.00 0.00 179.24 175.59 1uit s THR 92 N -6.17 0.84 0.04 0.35 2.01 -1.26 0.55 115.64 111.98 1uit s THR 92 Ca -0.14 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1uit s THR 92 Cb 0.23 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.89 1uit s THR 92 CO 0.76 0.31 -0.07 -0.51 -0.69 0.00 0.00 174.62 174.41 1uit s ILE 93 N 1.16 0.49 0.34 1.82 -1.16 -0.70 -4.98 121.20 118.17 1uit s ILE 93 Ca -0.06 -0.98 0.08 0.00 -0.51 0.00 0.00 60.65 59.17 1uit s ILE 93 Cb -0.14 -0.55 -0.03 0.00 0.61 0.00 0.00 42.46 42.35 1uit s ILE 93 CO -0.02 -0.34 0.26 -0.89 -2.81 0.00 0.00 174.94 171.14 1uit s THR 94 N -1.26 3.32 0.02 4.00 2.01 -1.26 0.98 115.64 123.45 1uit s THR 94 Ca -0.09 -1.46 0.01 0.00 0.31 0.00 0.00 61.69 60.45 1uit s THR 94 Cb -0.09 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1uit s THR 94 CO 0.00 -0.16 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.10 1uit s ILE 95 N -2.35 0.24 -0.49 1.82 1.01 0.29 -0.93 121.20 120.79 1uit s ILE 95 Ca 0.40 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1uit s ILE 95 Cb -0.05 -0.34 0.13 0.00 0.01 0.00 0.00 42.46 42.21 1uit s ILE 95 CO 0.25 -0.37 0.23 -0.22 0.00 0.00 0.00 174.94 174.84 1uit s LEU 96 N -1.23 4.24 0.59 2.97 2.96 0.22 -0.75 118.68 127.68 1uit s LEU 96 Ca -0.11 -2.86 0.07 0.00 -0.22 0.00 0.00 54.13 51.01 1uit s LEU 96 Cb -0.08 -1.59 0.09 0.00 0.50 0.00 0.00 46.19 45.11 1uit s LEU 96 CO -0.00 -0.26 0.81 0.00 -1.32 0.00 0.00 176.35 175.58 1uit s ALA 97 N -0.07 4.49 -0.38 5.97 0.00 -1.06 -0.45 121.76 130.26 1uit s ALA 97 Ca 0.16 -2.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 1uit s ALA 97 Cb -0.25 -1.59 0.22 0.00 0.00 0.00 0.00 23.12 21.51 1uit s ALA 97 CO -0.01 -0.93 1.05 0.94 0.00 0.00 0.00 175.76 176.80 1uit n GLN 98 N -2.33 0.24 -1.20 0.00 7.27 -1.15 -1.13 117.38 119.07 1uit n GLN 98 Ca 0.15 -1.07 -0.41 0.00 0.07 0.00 0.00 57.00 55.74 1uit n GLN 98 Cb 0.61 -0.35 -0.02 0.00 2.41 0.00 0.00 30.24 32.89 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 2.37 -0.55 -3.75 3.69 4.19 -1.26 -4.42 117.16 117.42 1uit n TYR 99 Ca 0.11 0.81 -0.23 0.00 3.31 0.00 0.00 57.90 61.90 1uit n TYR 99 Cb 0.64 -1.68 -0.18 0.00 0.49 0.00 0.00 39.34 38.62 1uit n TYR 99 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1uit s ASN 100 N -0.86 1.53 -0.53 2.98 0.01 -1.26 -3.91 114.94 112.90 1uit s ASN 100 Ca 0.55 -0.07 -0.06 0.00 -0.71 0.00 0.00 52.86 52.57 1uit s ASN 100 Cb -0.78 -0.39 -0.14 0.00 0.41 0.00 0.00 41.25 40.34 1uit s ASN 100 CO 0.49 -0.20 2.68 -0.81 -1.51 0.00 0.00 177.10 177.74 1uit n PRO 101 N 5.17 2.06 -2.72 -0.60 -0.04 -1.26 -3.81 135.00 133.79 1uit n PRO 101 Ca -0.06 -1.20 -0.08 0.00 -0.04 0.00 0.00 63.50 62.12 1uit n PRO 101 Cb 0.50 -2.19 0.10 0.00 -0.04 0.00 0.00 33.50 31.87 1uit n PRO 101 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1uit n HIS 102 N 3.20 -2.10 -3.29 0.54 8.25 -1.26 -5.08 115.22 115.48 1uit n HIS 102 Ca 0.44 -2.14 0.03 0.00 -0.26 0.00 0.00 57.72 55.79 1uit n HIS 102 Cb 0.46 1.33 -0.03 0.00 1.12 0.00 0.00 29.99 32.88 1uit n HIS 102 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1uit s VAL 103 N -0.23 -0.61 0.27 1.59 0.11 -1.25 -5.05 120.40 115.24 1uit s VAL 103 Ca 0.23 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1uit s VAL 103 Cb 0.38 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1uit s VAL 103 CO -0.07 0.00 0.00 1.57 -3.33 0.00 0.00 175.10 173.27 1uit n HIS 104 N 5.29 -3.66 -0.54 1.54 -0.00 -1.26 -4.96 115.22 111.62 1uit n HIS 104 Ca -0.07 0.94 -0.19 0.00 -0.00 0.00 0.00 57.72 58.40 1uit n HIS 104 Cb 0.52 2.53 0.15 0.00 -0.00 0.00 0.00 29.99 33.18 1uit n HIS 104 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1uit n GLN 105 N -3.13 -2.20 -0.99 1.57 6.02 -1.26 -4.65 117.38 112.74 1uit n GLN 105 Ca 0.00 -0.65 0.12 0.00 -0.01 0.00 0.00 57.00 56.46 1uit n GLN 105 Cb 0.00 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.73 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 -1.20 -0.65 0.00 1.08 4.77 -1.26 -4.69 117.00 115.04 1uit n LEU 106 Ca 0.05 1.51 0.00 0.00 -0.03 0.00 0.00 56.01 57.54 1uit n LEU 106 Cb 0.37 -2.68 0.00 0.00 -2.33 0.00 0.00 43.42 38.78 1uit n LEU 106 CO 0.26 -1.78 0.00 -0.24 -1.33 0.00 0.00 177.39 174.30 1uit n SER 107 N -3.68 0.00 0.00 -1.43 2.88 -1.26 -4.86 113.62 105.27 1uit n SER 107 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1uit n SER 107 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1uit n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uit n SER 108 N 2.07 0.00 -4.25 -3.46 2.88 -1.26 -4.96 113.62 104.63 1uit n SER 108 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1uit n SER 108 Cb 0.00 0.24 -0.15 0.00 -0.75 0.00 0.00 64.21 63.55 1uit n SER 108 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1uit s HIS 109 N -3.17 2.86 -0.84 0.66 2.46 -1.26 -5.03 115.29 110.97 1uit s HIS 109 Ca 0.00 -1.13 -0.27 0.00 0.47 0.00 0.00 55.06 54.13 1uit s HIS 109 Cb 0.00 -1.98 -0.18 0.00 -0.13 0.00 0.00 32.58 30.28 1uit s HIS 109 CO 0.00 -0.57 2.56 0.45 -2.47 0.00 0.00 174.74 174.70 1uit n SER 110 N 4.47 0.80 -4.63 9.88 2.88 -1.26 -4.86 113.62 120.90 1uit n SER 110 Ca -0.19 -0.16 -0.37 0.00 -1.33 0.00 0.00 58.87 56.82 1uit n SER 110 Cb 0.51 -1.12 -0.10 0.00 -0.75 0.00 0.00 64.21 62.75 1uit n SER 110 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1uit s ARG 111 N 8.62 4.02 0.55 -1.46 0.52 -1.26 -5.08 118.95 124.86 1uit s ARG 111 Ca 1.23 -0.29 -0.16 0.00 -0.52 0.00 0.00 55.73 55.98 1uit s ARG 111 Cb -0.85 -3.55 -0.06 0.00 0.52 0.00 0.00 34.95 31.01 1uit s ARG 111 CO 0.41 -0.01 1.02 -1.54 0.02 0.00 0.00 175.30 175.20 1uit s SER 112 N 1.24 6.24 0.00 0.23 1.04 -1.26 -5.04 113.70 116.16 1uit s SER 112 Ca 0.07 1.68 0.00 0.00 0.48 0.00 0.00 55.95 58.18 1uit s SER 112 Cb -0.14 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1uit s SER 112 CO 0.06 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.04 1uit n GLY 113 N -1.34 1.08 3.57 7.32 0.00 -1.26 -4.65 105.19 109.91 1uit n GLY 113 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.11 3.18 0.00 1.61 0.04 -1.26 -4.68 135.00 133.78 1uit s PRO 114 Ca 0.00 -1.20 0.24 0.00 0.04 0.00 0.00 61.00 60.08 1uit s PRO 114 Cb 0.00 -5.31 0.85 0.00 0.04 0.00 0.00 34.50 30.07 1uit s PRO 114 CO 0.00 -2.95 1.61 -1.13 0.04 0.00 0.00 177.00 174.57 1uit n SER 115 N 11.33 1.67 -3.81 6.66 3.41 -1.26 -4.86 113.62 126.76 1uit n SER 115 Ca 0.42 -1.64 -0.12 0.00 -0.26 0.00 0.00 58.87 57.27 1uit n SER 115 Cb 0.48 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 1uit n SER 115 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uit s SER 116 N -1.74 -0.10 0.00 4.04 0.01 -1.26 -5.21 113.70 109.44 1uit s SER 116 Ca 0.35 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1uit s SER 116 Cb 0.19 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1uit s SER 116 CO 0.29 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.16