#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 6.31 0.12 1.61 0.01 -1.26 -5.01 113.70 115.48 1uit s SER 2 Ca 0.00 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 56.71 1uit s SER 2 Cb 0.00 -2.32 0.03 0.00 0.21 0.00 0.00 66.02 63.94 1uit s SER 2 CO 0.00 -0.80 0.36 -0.44 0.41 0.00 0.00 173.24 172.77 1uit s SER 3 N 2.08 -0.16 -0.39 2.44 0.01 -1.26 -5.13 113.70 111.30 1uit s SER 3 Ca 0.22 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.10 1uit s SER 3 Cb -0.15 0.45 0.14 0.00 0.21 0.00 0.00 66.02 66.67 1uit s SER 3 CO 0.18 -0.83 0.24 -0.83 0.41 0.00 0.00 173.24 172.42 1uit s GLY 4 N -2.82 1.15 -0.30 3.44 0.00 -1.26 -5.06 107.32 102.48 1uit s GLY 4 Ca 0.03 -2.17 -0.18 0.00 0.00 0.00 0.00 44.72 42.40 1uit s GLY 4 CO -0.12 1.94 1.24 -0.45 0.00 0.00 0.00 173.10 175.72 1uit s SER 5 N 0.68 -0.12 0.00 1.64 0.15 -1.26 -5.18 113.70 109.61 1uit s SER 5 Ca 0.20 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1uit s SER 5 Cb -0.19 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1uit s SER 5 CO -0.03 -0.02 0.00 -0.24 1.20 0.00 0.00 173.24 174.15 1uit n SER 6 N 4.99 0.00 -3.64 5.45 2.88 -1.26 -5.17 113.62 116.87 1uit n SER 6 Ca -0.08 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.40 1uit n SER 6 Cb 0.55 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.94 1uit n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uit s GLY 7 N 0.00 -0.64 0.00 0.46 0.00 -1.26 -5.17 107.32 100.72 1uit s GLY 7 Ca 0.00 2.44 0.00 0.00 0.00 0.00 0.00 44.72 47.16 1uit s GLY 7 CO 0.00 2.49 0.00 0.61 0.00 0.00 0.00 173.10 176.20 1uit n GLY 8 N 4.43 1.29 3.07 0.20 0.00 -1.26 -5.14 105.19 107.78 1uit n GLY 8 Ca -0.19 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 0.51 -0.04 1.61 2.12 -1.26 -5.14 118.70 114.50 1uit s GLU 9 Ca 0.00 0.59 -0.01 0.00 0.36 0.00 0.00 54.97 55.91 1uit s GLU 9 Cb 0.00 0.14 0.03 0.00 0.26 0.00 0.00 34.13 34.56 1uit s GLU 9 CO 0.00 -0.88 0.09 1.03 -0.54 0.00 0.00 175.26 174.96 1uit s ARG 10 N 2.75 0.03 -0.18 4.30 0.52 -1.26 -5.13 118.95 119.98 1uit s ARG 10 Ca 0.13 0.26 -0.01 0.00 -0.52 0.00 0.00 55.73 55.59 1uit s ARG 10 Cb -0.13 -0.19 0.05 0.00 0.52 0.00 0.00 34.95 35.21 1uit s ARG 10 CO -0.24 -0.15 -0.01 1.03 0.02 0.00 0.00 175.30 175.95 1uit s ARG 11 N 1.01 1.01 0.23 3.54 0.52 -1.26 -5.13 118.95 118.87 1uit s ARG 11 Ca -0.08 -0.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 1uit s ARG 11 Cb -0.11 -2.04 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1uit s ARG 11 CO -0.04 -0.54 0.42 0.15 0.02 0.00 0.00 175.30 175.31 1uit s LYS 12 N 1.74 3.51 -0.32 3.54 1.02 -1.26 -5.05 119.74 122.91 1uit s LYS 12 Ca -0.01 -0.38 -0.28 0.00 0.02 0.00 0.00 55.97 55.33 1uit s LYS 12 Cb -0.16 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.35 1uit s LYS 12 CO -0.07 0.35 1.01 0.16 -0.92 0.00 0.00 175.35 175.88 1uit s ASP 13 N -3.42 6.86 -0.02 2.83 -4.77 -1.26 -5.01 116.67 111.89 1uit s ASP 13 Ca 0.38 0.94 -0.12 0.00 -3.30 0.00 0.00 52.55 50.46 1uit s ASP 13 Cb -0.10 -2.51 0.02 0.00 -1.09 0.00 0.00 42.92 39.23 1uit s ASP 13 CO 0.30 -0.84 0.26 -0.13 0.70 0.00 0.00 175.17 175.46 1uit s ARG 14 N 3.52 0.56 0.48 2.11 0.52 -1.26 -5.03 118.95 119.86 1uit s ARG 14 Ca 0.43 -0.17 0.28 0.00 -0.52 0.00 0.00 55.73 55.75 1uit s ARG 14 Cb -0.12 0.25 0.83 0.00 0.52 0.00 0.00 34.95 36.42 1uit s ARG 14 CO 0.15 -0.14 1.79 -1.00 0.02 0.00 0.00 175.30 176.12 1uit h PRO 15 N 4.26 0.00 -3.53 3.54 0.13 -2.08 -3.49 132.00 130.82 1uit h PRO 15 Ca -0.29 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 1uit h PRO 15 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1uit h PRO 15 CO 0.39 0.04 -0.86 0.66 -0.23 0.00 0.00 178.00 178.00 1uit n TYR 16 N -3.12 -3.71 -3.69 1.56 4.01 -1.26 -5.05 117.16 105.90 1uit n TYR 16 Ca 0.02 2.01 -0.10 0.00 -0.16 0.00 0.00 57.90 59.67 1uit n TYR 16 Cb 0.43 -3.12 -0.05 0.00 -0.31 0.00 0.00 39.34 36.29 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1uit s VAL 17 N -5.19 0.09 -0.43 -0.72 0.11 -1.26 -5.06 120.40 107.94 1uit s VAL 17 Ca 0.00 -0.74 -0.37 0.00 -2.93 0.00 0.00 61.98 57.94 1uit s VAL 17 Cb 0.00 -1.20 -0.14 0.00 -1.53 0.00 0.00 36.38 33.51 1uit s VAL 17 CO 0.00 -0.41 2.21 -0.62 -3.33 0.00 0.00 175.10 172.95 1uit n GLU 18 N -0.15 0.71 -1.08 1.54 -0.58 -1.25 -4.84 120.64 114.99 1uit n GLU 18 Ca -0.16 0.18 -0.36 0.00 -0.42 0.00 0.00 57.16 56.41 1uit n GLU 18 Cb 0.63 -2.17 0.07 0.00 -0.57 0.00 0.00 31.44 29.40 1uit n GLU 18 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1uit n GLU 19 N 8.04 0.04 -2.43 3.49 0.00 -1.26 -4.21 120.64 124.32 1uit n GLU 19 Ca 0.46 0.05 -0.43 0.00 0.00 0.00 0.00 57.16 57.24 1uit n GLU 19 Cb 0.15 -1.56 -0.02 0.00 0.00 0.00 0.00 31.44 30.01 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 1uit s PRO 20 N -2.63 4.30 0.25 3.44 0.04 -1.26 -4.64 135.00 134.50 1uit s PRO 20 Ca 0.57 1.69 0.06 0.00 0.04 0.00 0.00 61.00 63.36 1uit s PRO 20 Cb -0.29 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.57 1uit s PRO 20 CO 0.67 -0.56 0.27 -0.98 0.04 0.00 0.00 177.00 176.44 1uit s ARG 21 N 2.73 3.14 -0.29 4.56 1.70 -0.21 -4.93 118.95 125.66 1uit s ARG 21 Ca 0.56 -0.93 -0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1uit s ARG 21 Cb -0.24 -2.70 0.05 0.00 -0.57 0.00 0.00 34.95 31.49 1uit s ARG 21 CO 0.19 0.41 -0.03 -1.01 -1.08 0.00 0.00 175.30 173.78 1uit s HIS 22 N -2.07 3.26 -0.22 5.89 3.76 -1.26 -1.37 115.29 123.28 1uit s HIS 22 Ca 0.33 -2.01 -0.10 0.00 -0.15 0.00 0.00 55.06 53.14 1uit s HIS 22 Cb -0.08 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.51 1uit s HIS 22 CO 0.27 -0.83 0.14 0.08 -0.85 0.00 0.00 174.74 173.55 1uit s VAL 23 N 1.21 5.24 0.33 -0.90 1.01 0.97 -4.89 120.40 123.37 1uit s VAL 23 Ca -0.06 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1uit s VAL 23 Cb -0.20 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1uit s VAL 23 CO -0.02 0.38 0.74 -0.54 0.00 0.00 0.00 175.10 175.65 1uit s LYS 24 N 0.85 3.96 -0.04 2.72 1.02 -1.26 0.39 119.74 127.38 1uit s LYS 24 Ca 0.07 0.63 0.02 0.00 0.02 0.00 0.00 55.97 56.70 1uit s LYS 24 Cb -0.13 -2.43 0.01 0.00 -0.52 0.00 0.00 37.83 34.77 1uit s LYS 24 CO 0.03 0.13 -0.07 0.08 -0.92 0.00 0.00 175.35 174.59 1uit s VAL 25 N -2.04 0.68 -0.88 3.17 1.01 0.29 -4.67 120.40 117.96 1uit s VAL 25 Ca 0.54 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.26 1uit s VAL 25 Cb -0.10 -0.65 0.26 0.00 0.00 0.00 0.00 36.38 35.89 1uit s VAL 25 CO 0.20 0.24 1.03 0.00 0.00 0.00 0.00 175.10 176.56 1uit n GLN 26 N 3.69 3.28 0.00 2.72 6.02 -1.26 -0.96 117.38 130.87 1uit n GLN 26 Ca -0.22 -4.57 0.00 0.00 -0.01 0.00 0.00 57.00 52.19 1uit n GLN 26 Cb 0.52 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.39 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 1.47 0.00 0.00 -1.09 4.76 0.53 -4.87 118.16 118.95 1uit n LYS 27 Ca 0.26 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.99 1uit n LYS 27 Cb 0.37 -1.18 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 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 -0.75 2.30 1.30 0.72 0.00 0.03 -3.99 105.19 104.80 1uit n GLY 28 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 3.39 -0.91 -3.87 1.61 3.41 -1.26 -4.62 113.62 111.37 1uit n SER 29 Ca 0.00 -1.72 -0.09 0.00 -0.26 0.00 0.00 58.87 56.80 1uit n SER 29 Cb 0.00 0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.77 1.05 4.33 0.41 -1.26 -5.17 118.70 118.86 1uit s GLU 30 Ca 0.02 -0.86 -0.17 0.00 -0.41 0.00 0.00 54.97 53.55 1uit s GLU 30 Cb 0.09 0.31 0.23 0.00 -1.78 0.00 0.00 34.13 32.98 1uit s GLU 30 CO -0.03 -0.23 1.21 -1.25 -0.49 0.00 0.00 175.26 174.47 1uit s PRO 31 N -3.38 -0.05 -0.06 0.39 0.04 -1.26 -4.73 135.00 125.94 1uit s PRO 31 Ca 0.01 -0.16 -0.20 0.00 0.04 0.00 0.00 61.00 60.69 1uit s PRO 31 Cb 0.03 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.67 1uit s PRO 31 CO -0.08 -2.92 0.80 1.25 0.04 0.00 0.00 177.00 176.09 1uit h LEU 32 N -2.01 -0.15 -2.63 -3.56 5.85 -1.93 -3.35 115.31 107.53 1uit h LEU 32 Ca -0.45 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1uit h LEU 32 Cb 1.27 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1uit h LEU 32 CO 0.40 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.56 1uit n GLY 33 N 0.79 0.60 3.17 3.75 0.00 -1.26 -1.05 105.19 111.19 1uit n GLY 33 Ca -0.07 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1uit n GLY 33 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uit s ILE 34 N -2.88 0.02 0.12 -0.61 -4.36 -1.26 -0.13 121.20 112.11 1uit s ILE 34 Ca 0.00 -0.19 -0.10 0.00 -0.26 0.00 0.00 60.65 60.10 1uit s ILE 34 Cb 0.00 -0.45 -0.06 0.00 1.25 0.00 0.00 42.46 43.20 1uit s ILE 34 CO 0.00 -0.10 0.45 -0.55 0.24 0.00 0.00 174.94 174.98 1uit s SER 35 N -0.35 6.65 0.10 4.36 0.15 0.24 -4.95 113.70 119.90 1uit s SER 35 Ca -0.05 0.84 0.02 0.00 0.70 0.00 0.00 55.95 57.46 1uit s SER 35 Cb -0.03 -2.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.04 1uit s SER 35 CO 0.01 0.10 -0.07 0.27 1.20 0.00 0.00 173.24 174.76 1uit s ILE 36 N -1.51 0.70 -0.00 6.45 -5.25 -1.26 -0.00 121.20 120.32 1uit s ILE 36 Ca 0.37 -1.87 -0.08 0.00 -0.99 0.00 0.00 60.65 58.08 1uit s ILE 36 Cb -0.13 -1.60 0.01 0.00 2.95 0.00 0.00 42.46 43.68 1uit s ILE 36 CO 0.20 -0.83 0.16 0.68 -1.79 0.00 0.00 174.94 173.36 1uit s VAL 37 N -3.42 0.07 0.05 8.37 -7.23 0.28 -4.73 120.40 113.80 1uit s VAL 37 Ca 0.10 -0.61 -0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1uit s VAL 37 Cb 0.04 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 1uit s VAL 37 CO -0.04 -0.34 0.19 -0.55 -0.31 0.00 0.00 175.10 174.05 1uit s SER 38 N -1.27 6.24 0.22 4.85 0.15 -1.26 -1.11 113.70 121.52 1uit s SER 38 Ca -0.13 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1uit s SER 38 Cb -0.07 -1.90 -0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1uit s SER 38 CO 0.02 0.19 0.01 0.61 1.20 0.00 0.00 173.24 175.26 1uit n GLY 39 N 0.43 3.90 2.99 9.45 0.00 -1.19 -5.00 105.19 115.77 1uit n GLY 39 Ca -0.07 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.28 1uit n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uit n GLU 40 N -0.54 2.07 -3.35 1.61 -0.58 -1.26 -4.00 120.64 114.59 1uit n GLU 40 Ca -0.09 -2.20 -0.18 0.00 -0.42 0.00 0.00 57.16 54.28 1uit n GLU 40 Cb 0.28 -3.11 0.07 0.00 -0.57 0.00 0.00 31.44 28.12 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1uit n LYS 41 N 6.75 -6.34 0.00 3.49 4.81 -1.26 -4.90 118.16 120.71 1uit n LYS 41 Ca 0.50 0.72 0.01 0.00 -0.87 0.00 0.00 58.31 58.68 1uit n LYS 41 Cb 0.40 -5.42 0.01 0.00 0.02 0.00 0.00 35.03 30.04 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 -1.48 -1.26 1.20 3.14 0.00 -1.26 -5.12 105.19 100.41 1uit n GLY 42 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.13 -1.75 3.85 -0.02 0.00 -1.26 -4.94 105.19 101.19 1uit n GLY 43 Ca 0.01 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 1uit n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uit s ILE 44 N 0.00 5.37 -0.02 -0.61 -1.09 -1.26 -3.18 121.20 120.41 1uit s ILE 44 Ca 0.00 0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.85 1uit s ILE 44 Cb 0.00 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.38 1uit s ILE 44 CO 0.00 0.58 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.82 1uit s TYR 45 N -0.87 1.50 0.11 3.97 1.51 -0.27 -2.31 117.35 121.00 1uit s TYR 45 Ca 0.17 -0.33 -0.31 0.00 -1.01 0.00 0.00 57.07 55.59 1uit s TYR 45 Cb -0.13 -0.98 -0.09 0.00 -0.11 0.00 0.00 41.96 40.65 1uit s TYR 45 CO 0.06 -0.07 1.57 0.08 -1.11 0.00 0.00 175.55 176.08 1uit s VAL 46 N -0.23 2.91 -0.10 0.71 1.01 -1.26 -0.56 120.40 122.88 1uit s VAL 46 Ca 0.03 0.55 0.20 0.00 0.00 0.00 0.00 61.98 62.77 1uit s VAL 46 Cb -0.08 -3.35 -0.30 0.00 0.00 0.00 0.00 36.38 32.65 1uit s VAL 46 CO 0.00 0.02 0.33 -0.24 0.00 0.00 0.00 175.10 175.22 1uit n SER 47 N 4.64 0.03 -3.58 3.32 2.88 1.00 -3.15 113.62 118.76 1uit n SER 47 Ca 0.14 0.01 0.02 0.00 -1.33 0.00 0.00 58.87 57.72 1uit n SER 47 Cb 0.40 1.55 -0.00 0.00 -0.75 0.00 0.00 64.21 65.40 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 -3.10 0.14 -0.08 -1.46 2.20 -1.18 -4.92 119.74 111.34 1uit s LYS 48 Ca -0.09 -0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1uit s LYS 48 Cb 0.11 0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.52 1uit s LYS 48 CO 0.87 -0.06 0.16 0.54 -0.36 0.00 0.00 175.35 176.50 1uit s VAL 49 N -2.15 -0.15 0.09 4.02 0.11 -1.26 0.81 120.40 121.87 1uit s VAL 49 Ca 0.14 0.25 -0.31 0.00 -2.93 0.00 0.00 61.98 59.14 1uit s VAL 49 Cb 0.06 -0.28 -0.09 0.00 -1.53 0.00 0.00 36.38 34.54 1uit s VAL 49 CO -0.06 0.11 1.70 -0.89 -3.33 0.00 0.00 175.10 172.63 1uit s THR 50 N 1.68 2.88 -0.06 5.04 2.01 0.82 -4.94 115.64 123.08 1uit s THR 50 Ca -0.04 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 1uit s THR 50 Cb -0.12 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1uit s THR 50 CO -0.06 -0.00 1.20 -0.69 -0.69 0.00 0.00 174.62 174.38 1uit s VAL 51 N 2.63 4.25 0.00 3.82 1.01 -1.26 -2.38 120.40 128.46 1uit s VAL 51 Ca 0.76 1.57 0.00 0.00 0.00 0.00 0.00 61.98 64.31 1uit s VAL 51 Cb -0.42 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 31.95 1uit s VAL 51 CO 0.33 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1uit n GLY 52 N 3.37 0.70 3.92 4.51 0.00 -1.26 -5.06 105.19 111.37 1uit n GLY 52 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1uit n GLY 52 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uit s SER 53 N -2.76 5.71 0.09 1.61 0.15 -1.00 -4.83 113.70 112.67 1uit s SER 53 Ca 0.00 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.20 1uit s SER 53 Cb 0.00 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1uit s SER 53 CO 0.00 -0.97 1.22 -0.38 1.20 0.00 0.00 173.24 174.31 1uit n ILE 54 N -2.51 -0.39 -0.17 6.45 2.08 -1.14 -0.67 119.36 123.02 1uit n ILE 54 Ca 0.04 1.89 -0.04 0.00 0.56 0.00 0.00 62.75 65.19 1uit n ILE 54 Cb 0.57 -2.38 -0.04 0.00 -0.75 0.00 0.00 39.64 37.04 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 -3.17 -0.25 -0.33 -1.39 0.00 -0.22 0.44 120.51 115.59 1uit n ALA 55 Ca 0.01 0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.80 1uit n ALA 55 Cb 0.15 0.23 0.07 0.00 0.00 0.00 0.00 19.45 19.90 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 -3.88 0.15 -0.15 0.00 -0.00 0.15 0.19 115.22 111.69 1uit n HIS 56 Ca 0.01 1.09 -0.04 0.00 -0.00 0.00 0.00 57.72 58.78 1uit n HIS 56 Cb 0.10 -0.91 0.05 0.00 -0.00 0.00 0.00 29.99 29.24 1uit n HIS 56 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1uit h GLN 57 N 0.00 0.29 -0.68 1.57 4.20 0.14 -1.15 115.11 119.49 1uit h GLN 57 Ca 0.36 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 59.07 1uit h GLN 57 Cb 0.58 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1uit h GLN 57 CO -0.89 0.19 0.44 0.00 -0.67 0.00 0.00 178.83 177.90 1uit h ALA 58 N 1.33 0.87 0.00 3.87 0.00 0.48 -3.47 119.26 122.34 1uit h ALA 58 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1uit h ALA 58 Cb 0.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uit h ALA 58 CO -0.25 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1uit n GLY 59 N -1.28 0.76 3.89 0.00 0.00 0.15 -4.87 105.19 103.84 1uit n GLY 59 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1uit n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uit s LEU 60 N 0.00 4.10 0.23 0.99 1.43 -1.19 -5.02 118.68 119.23 1uit s LEU 60 Ca 0.00 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 53.89 1uit s LEU 60 Cb 0.00 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 1uit s LEU 60 CO 0.00 -0.14 0.21 -1.83 0.23 0.00 0.00 176.35 174.82 1uit s GLU 61 N -3.22 1.37 0.43 1.70 -1.05 -1.26 -4.77 118.70 111.89 1uit s GLU 61 Ca 0.45 -1.67 -0.14 0.00 -0.15 0.00 0.00 54.97 53.47 1uit s GLU 61 Cb -0.11 0.31 -0.08 0.00 -0.44 0.00 0.00 34.13 33.81 1uit s GLU 61 CO 0.26 -0.48 0.85 -0.47 0.95 0.00 0.00 175.26 176.37 1uit s TYR 62 N -3.97 3.44 0.00 4.83 6.14 -1.26 -3.72 117.35 122.81 1uit s TYR 62 Ca 0.37 1.26 0.00 0.00 0.64 0.00 0.00 57.07 59.34 1uit s TYR 62 Cb 0.05 -2.60 0.00 0.00 0.42 0.00 0.00 41.96 39.83 1uit s TYR 62 CO 0.15 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 176.59 1uit n GLY 63 N -1.19 2.50 3.56 8.97 0.00 -1.19 -4.95 105.19 112.89 1uit n GLY 63 Ca 0.04 0.00 -0.36 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 -2.85 6.05 -0.13 1.61 1.01 -1.24 -4.25 116.67 116.88 1uit s ASP 64 Ca 0.00 -1.41 -0.34 0.00 0.71 0.00 0.00 52.55 51.51 1uit s ASP 64 Cb 0.00 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 1uit s ASP 64 CO 0.00 -1.93 1.91 1.67 0.21 0.00 0.00 175.17 177.02 1uit n GLN 65 N 8.75 2.03 -2.47 8.23 7.27 -1.26 -4.20 117.38 135.74 1uit n GLN 65 Ca 0.38 0.73 -0.43 0.00 0.07 0.00 0.00 57.00 57.76 1uit n GLN 65 Cb 0.49 -2.62 -0.02 0.00 2.41 0.00 0.00 30.24 30.50 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 4.44 3.79 -0.15 1.69 1.43 -0.98 -2.57 118.68 126.33 1uit s LEU 66 Ca 0.95 0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.85 1uit s LEU 66 Cb -0.72 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 41.81 1uit s LEU 66 CO 0.52 -1.15 0.34 -0.07 0.23 0.00 0.00 176.35 176.23 1uit h LEU 67 N 11.07 0.00 -7.69 1.79 3.38 -0.63 -3.38 115.31 119.84 1uit h LEU 67 Ca -0.25 -0.53 -0.18 0.00 0.09 0.00 0.00 57.88 57.01 1uit h LEU 67 Cb 1.09 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.59 1uit h LEU 67 CO 1.06 0.98 -0.56 -1.61 0.09 0.00 0.00 178.44 178.40 1uit s GLU 68 N -2.11 0.27 -0.54 1.13 2.02 -1.06 0.64 118.70 119.04 1uit s GLU 68 Ca -0.17 -0.09 0.01 0.00 0.02 0.00 0.00 54.97 54.75 1uit s GLU 68 Cb 0.00 0.12 0.14 0.00 0.10 0.00 0.00 34.13 34.49 1uit s GLU 68 CO 0.45 -0.05 0.31 0.12 0.02 0.00 0.00 175.26 176.11 1uit s PHE 69 N -0.55 3.33 0.00 1.61 5.36 0.83 0.58 117.98 129.15 1uit s PHE 69 Ca -0.06 -2.96 0.00 0.00 -0.96 0.00 0.00 56.93 52.94 1uit s PHE 69 Cb -0.04 -2.99 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 1uit s PHE 69 CO 0.00 -0.80 0.00 -1.71 -1.46 0.00 0.00 175.22 171.25 1uit n ASN 70 N 3.39 -4.06 0.00 6.13 2.85 -0.32 -2.55 115.26 120.71 1uit n ASN 70 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 1uit n ASN 70 Cb 0.35 -1.99 0.00 0.00 1.24 0.00 0.00 39.78 39.38 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 -1.02 4.08 3.67 8.20 0.00 -1.26 -4.94 105.19 113.92 1uit n GLY 71 Ca 0.00 -0.84 -0.51 0.00 0.00 0.00 0.00 46.02 44.68 1uit n GLY 71 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1uit n ILE 72 N 0.00 0.29 -2.33 -0.61 5.41 -1.06 -4.86 119.36 116.21 1uit n ILE 72 Ca 0.00 -0.05 -0.43 0.00 1.00 0.00 0.00 62.75 63.27 1uit n ILE 72 Cb 0.00 -1.47 -0.02 0.00 -0.71 0.00 0.00 39.64 37.44 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 2.65 6.58 0.21 4.38 2.47 -1.26 -0.12 114.94 129.85 1uit s ASN 73 Ca 0.90 1.33 0.11 0.00 0.42 0.00 0.00 52.86 55.61 1uit s ASN 73 Cb -0.83 -2.54 0.05 0.00 -1.45 0.00 0.00 41.25 36.49 1uit s ASN 73 CO 0.51 -1.14 1.43 -0.07 -3.72 0.00 0.00 177.10 174.11 1uit h LEU 74 N 11.15 0.00 -1.62 3.21 -0.00 -0.01 -2.14 115.31 125.91 1uit h LEU 74 Ca -0.28 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.72 1uit h LEU 74 Cb 1.11 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.73 1uit h LEU 74 CO 1.02 0.75 0.46 0.03 -0.00 0.00 0.00 178.44 180.70 1uit h ARG 75 N 0.00 0.39 0.00 1.13 3.08 -1.72 0.89 114.38 118.14 1uit h ARG 75 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1uit h ARG 75 Cb 1.47 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1uit h ARG 75 CO 0.10 0.26 -1.25 0.43 -1.07 0.00 0.00 179.97 178.44 1uit n SER 76 N -4.47 0.75 -4.81 7.04 7.64 -1.19 -4.55 113.62 114.03 1uit n SER 76 Ca 0.12 -0.75 -0.31 0.00 1.01 0.00 0.00 58.87 58.94 1uit n SER 76 Cb 0.47 1.25 0.04 0.00 -1.01 0.00 0.00 64.21 64.96 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uit s ALA 77 N -3.12 2.66 0.08 -0.43 0.00 0.31 -5.07 121.76 116.18 1uit s ALA 77 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1uit s ALA 77 Cb 0.15 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 20.09 1uit s ALA 77 CO 0.88 -1.17 0.07 0.25 0.00 0.00 0.00 175.76 175.79 1uit n THR 78 N -2.92 0.00 0.06 0.00 -2.24 -1.26 -4.69 114.28 103.24 1uit n THR 78 Ca 0.08 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 1uit n THR 78 Cb 0.53 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 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 0.43 -0.00 -0.78 4.11 -1.96 -0.15 114.58 116.23 1uit h GLU 79 Ca -0.05 -0.45 -0.16 0.00 0.07 0.00 0.00 59.36 58.78 1uit h GLU 79 Cb 0.18 0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1uit h GLU 79 CO 0.07 1.11 -0.60 -0.56 0.07 0.00 0.00 179.01 179.10 1uit h GLN 80 N 0.24 0.41 -0.35 1.06 3.07 -1.97 -2.41 115.11 115.17 1uit h GLN 80 Ca -0.08 -0.44 -0.06 0.00 0.09 0.00 0.00 58.65 58.16 1uit h GLN 80 Cb 1.57 0.12 -0.01 0.00 0.08 0.00 0.00 27.48 29.24 1uit h GLN 80 CO 0.16 1.11 -0.02 1.96 0.09 0.00 0.00 178.83 182.12 1uit h GLN 81 N -0.10 0.63 -0.83 0.06 4.20 -1.96 -2.54 115.11 114.58 1uit h GLN 81 Ca -0.07 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.44 1uit h GLN 81 Cb 1.32 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 1uit h GLN 81 CO 0.12 0.76 0.55 0.00 -0.67 0.00 0.00 178.83 179.59 1uit h ALA 82 N 0.85 1.46 0.00 3.87 0.00 -1.10 1.26 119.26 125.59 1uit h ALA 82 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1uit h ALA 82 Cb 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1uit h ALA 82 CO 0.02 0.48 0.00 0.54 0.00 0.00 0.00 179.25 180.29 1uit n ARG 83 N -4.43 0.16 -0.11 0.00 1.74 -0.91 -1.96 116.66 111.15 1uit n ARG 83 Ca 0.10 0.41 -0.19 0.00 -0.77 0.00 0.00 57.85 57.40 1uit n ARG 83 Cb 0.07 -1.81 -0.06 0.00 -1.02 0.00 0.00 32.46 29.64 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 -2.11 1.87 -0.27 0.55 -0.00 0.88 -3.48 117.00 114.44 1uit n LEU 84 Ca 0.02 0.32 0.05 0.00 -0.00 0.00 0.00 56.01 56.40 1uit n LEU 84 Cb 0.21 -0.75 0.14 0.00 -0.00 0.00 0.00 43.42 43.02 1uit n LEU 84 CO 0.18 0.15 0.77 0.40 -0.00 0.00 0.00 177.39 178.89 1uit h ILE 85 N -0.95 0.26 0.00 1.47 2.04 0.14 1.51 117.51 121.98 1uit h ILE 85 Ca -0.36 -0.02 -0.11 0.00 1.00 0.00 0.00 64.86 65.38 1uit h ILE 85 Cb 1.28 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1uit h ILE 85 CO -0.22 0.01 -0.52 0.16 0.00 0.00 0.00 178.15 177.59 1uit h ILE 86 N 0.05 1.34 -0.47 -0.67 3.07 -1.61 -2.77 117.51 116.45 1uit h ILE 86 Ca 0.41 -1.79 -0.26 0.00 1.55 0.00 0.00 64.86 64.76 1uit h ILE 86 Cb 0.71 1.98 -0.14 0.00 -0.27 0.00 0.00 36.82 39.09 1uit h ILE 86 CO -0.74 0.51 0.34 0.61 -1.05 0.00 0.00 178.15 177.81 1uit n GLY 87 N 0.01 3.41 1.65 0.16 0.00 0.50 -4.33 105.19 106.59 1uit n GLY 87 Ca -0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.13 0.35 -4.61 1.61 6.02 -0.31 -4.91 117.38 115.41 1uit n GLN 88 Ca 0.29 -1.17 -0.33 0.00 -0.01 0.00 0.00 57.00 55.78 1uit n GLN 88 Cb 0.94 -0.27 -0.13 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 -3.50 3.49 0.00 -1.09 0.00 -1.26 -4.93 119.66 112.37 1uit s GLN 89 Ca 0.28 -0.61 0.00 0.00 -0.00 0.00 0.00 55.36 55.03 1uit s GLN 89 Cb -0.02 -2.76 0.00 0.00 0.00 0.00 0.00 33.01 30.24 1uit s GLN 89 CO 0.18 0.24 0.00 0.00 0.00 0.00 0.00 175.29 175.72 1uit h ASP 91 N 0.00 -0.78 -3.31 0.00 5.19 -1.95 -3.37 116.42 112.20 1uit h ASP 91 Ca 0.00 0.28 -0.50 0.00 -0.62 0.00 0.00 57.03 56.19 1uit h ASP 91 Cb 0.00 0.56 -0.35 0.00 0.18 0.00 0.00 39.33 39.71 1uit h ASP 91 CO 0.00 -0.32 -0.80 -0.89 -3.12 0.00 0.00 179.24 174.11 1uit s THR 92 N -6.20 0.95 0.05 0.35 2.01 -1.26 -0.35 115.64 111.19 1uit s THR 92 Ca -0.14 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1uit s THR 92 Cb 0.26 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1uit s THR 92 CO 0.77 0.33 -0.08 -0.51 -0.69 0.00 0.00 174.62 174.44 1uit s ILE 93 N 1.23 0.63 0.34 1.82 -1.16 -0.13 -4.98 121.20 118.94 1uit s ILE 93 Ca -0.05 -1.19 0.08 0.00 -0.51 0.00 0.00 60.65 58.98 1uit s ILE 93 Cb -0.14 -0.77 -0.03 0.00 0.61 0.00 0.00 42.46 42.13 1uit s ILE 93 CO -0.02 -0.41 0.24 -0.89 -2.81 0.00 0.00 174.94 171.04 1uit s THR 94 N -1.59 3.28 -0.00 4.00 2.01 -1.26 0.11 115.64 122.18 1uit s THR 94 Ca -0.07 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.43 1uit s THR 94 Cb -0.09 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1uit s THR 94 CO 0.00 -0.17 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.13 1uit s ILE 95 N -2.36 0.06 -0.42 1.82 1.01 0.16 -1.17 121.20 120.29 1uit s ILE 95 Ca 0.40 -0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.97 1uit s ILE 95 Cb -0.04 -0.06 0.11 0.00 0.01 0.00 0.00 42.46 42.48 1uit s ILE 95 CO 0.25 0.01 0.23 -0.22 0.00 0.00 0.00 174.94 175.21 1uit s LEU 96 N -0.04 5.33 0.43 2.97 2.96 0.20 -0.02 118.68 130.51 1uit s LEU 96 Ca 0.00 -2.03 0.08 0.00 -0.22 0.00 0.00 54.13 51.96 1uit s LEU 96 Cb -0.00 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.84 1uit s LEU 96 CO -0.00 -0.57 0.57 0.00 -1.32 0.00 0.00 176.35 175.03 1uit s ALA 97 N 1.15 4.51 -0.47 5.97 0.00 -0.47 0.13 121.76 132.58 1uit s ALA 97 Ca 0.08 -1.70 0.04 0.00 0.00 0.00 0.00 51.96 50.37 1uit s ALA 97 Cb -0.23 -1.58 0.21 0.00 0.00 0.00 0.00 23.12 21.51 1uit s ALA 97 CO -0.04 -0.30 0.86 0.94 0.00 0.00 0.00 175.76 177.22 1uit n GLN 98 N -1.85 0.47 -1.46 0.00 7.27 -1.06 -1.04 117.38 119.71 1uit n GLN 98 Ca 0.08 -1.67 -0.54 0.00 0.07 0.00 0.00 57.00 54.94 1uit n GLN 98 Cb 0.59 -1.09 -0.06 0.00 2.41 0.00 0.00 30.24 32.09 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 2.57 0.17 -3.93 3.69 4.19 -1.26 -4.34 117.16 118.24 1uit n TYR 99 Ca 0.14 1.00 -0.29 0.00 3.31 0.00 0.00 57.90 62.06 1uit n TYR 99 Cb 0.60 -2.04 -0.16 0.00 0.49 0.00 0.00 39.34 38.22 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 -0.45 3.20 -0.56 2.98 2.47 -1.26 -3.83 114.94 117.49 1uit s ASN 100 Ca 0.78 -0.83 -0.06 0.00 0.42 0.00 0.00 52.86 53.18 1uit s ASN 100 Cb -1.10 -1.07 -0.14 0.00 -1.45 0.00 0.00 41.25 37.49 1uit s ASN 100 CO 0.56 -0.18 2.69 -0.81 -3.72 0.00 0.00 177.10 175.64 1uit n PRO 101 N 4.78 2.09 -2.71 0.43 -0.04 -1.26 -3.86 135.00 134.43 1uit n PRO 101 Ca -0.13 -1.22 -0.07 0.00 -0.04 0.00 0.00 63.50 62.04 1uit n PRO 101 Cb 0.47 -2.21 0.09 0.00 -0.04 0.00 0.00 33.50 31.81 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 3.22 -2.14 -3.70 0.54 -0.00 -1.26 -5.13 115.22 106.76 1uit n HIS 102 Ca 0.45 -1.66 -0.11 0.00 0.46 0.00 0.00 57.72 56.86 1uit n HIS 102 Cb 0.46 1.49 -0.11 0.00 -0.12 0.00 0.00 29.99 31.70 1uit n HIS 102 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1uit s VAL 103 N 0.23 -0.04 -0.35 3.57 1.01 -1.25 -5.09 120.40 118.48 1uit s VAL 103 Ca 0.22 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 1uit s VAL 103 Cb 0.29 -0.57 0.21 0.00 0.00 0.00 0.00 36.38 36.31 1uit s VAL 103 CO -0.11 0.04 1.08 -2.28 0.00 0.00 0.00 175.10 173.83 1uit s HIS 104 N 1.41 -0.38 0.47 5.22 2.46 -1.26 -5.11 115.29 118.11 1uit s HIS 104 Ca -0.09 -0.10 0.04 0.00 0.47 0.00 0.00 55.06 55.37 1uit s HIS 104 Cb -0.09 0.07 -0.04 0.00 -0.13 0.00 0.00 32.58 32.40 1uit s HIS 104 CO -0.12 -0.29 0.04 -0.65 -2.47 0.00 0.00 174.74 171.25 1uit s GLN 105 N 1.12 2.12 0.48 2.88 -1.52 -1.26 -5.07 119.66 118.41 1uit s GLN 105 Ca 0.22 -2.23 0.00 0.00 -1.95 0.00 0.00 55.36 51.40 1uit s GLN 105 Cb 0.11 -1.64 0.00 0.00 -0.22 0.00 0.00 33.01 31.26 1uit s GLN 105 CO -0.11 -0.25 0.00 1.28 -0.25 0.00 0.00 175.29 175.96 1uit n LEU 106 N -1.19 -0.85 0.12 2.90 4.77 -1.26 -5.00 117.00 116.49 1uit n LEU 106 Ca -0.12 1.96 0.00 0.00 -0.03 0.00 0.00 56.01 57.82 1uit n LEU 106 Cb 0.67 -4.32 0.00 0.00 -2.33 0.00 0.00 43.42 37.44 1uit n LEU 106 CO 0.43 -2.73 0.00 -1.20 -1.33 0.00 0.00 177.39 172.55 1uit n SER 107 N -4.33 -0.22 -3.59 -1.43 7.64 -1.26 -5.16 113.62 105.27 1uit n SER 107 Ca -0.04 0.42 -0.04 0.00 1.01 0.00 0.00 58.87 60.22 1uit n SER 107 Cb 0.67 0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 64.26 1uit n SER 107 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uit s SER 108 N -4.77 -0.16 -0.30 6.43 0.15 -1.26 -5.14 113.70 108.66 1uit s SER 108 Ca 0.00 -0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.49 1uit s SER 108 Cb 0.00 0.18 0.19 0.00 -1.71 0.00 0.00 66.02 64.68 1uit s SER 108 CO 0.00 -0.30 1.16 -1.38 1.20 0.00 0.00 173.24 173.92 1uit s HIS 109 N -2.52 -0.01 0.12 3.44 -3.43 -1.26 -5.18 115.29 106.45 1uit s HIS 109 Ca 0.09 0.00 -0.11 0.00 -0.80 0.00 0.00 55.06 54.24 1uit s HIS 109 Cb -0.00 0.00 0.01 0.00 -1.43 0.00 0.00 32.58 31.16 1uit s HIS 109 CO -0.05 -0.01 0.29 -1.12 -2.00 0.00 0.00 174.74 171.85 1uit s SER 110 N 2.05 -0.02 -0.29 7.38 0.01 -1.26 -5.15 113.70 116.42 1uit s SER 110 Ca 0.15 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.85 1uit s SER 110 Cb 0.05 0.41 0.19 0.00 0.21 0.00 0.00 66.02 66.88 1uit s SER 110 CO -0.17 -0.81 0.63 -0.60 0.41 0.00 0.00 173.24 172.70 1uit s ARG 111 N -3.86 0.54 0.65 12.44 3.52 -1.26 -5.16 118.95 125.82 1uit s ARG 111 Ca 0.06 0.73 -0.10 0.00 -0.13 0.00 0.00 55.73 56.30 1uit s ARG 111 Cb 0.03 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.81 1uit s ARG 111 CO -0.09 -0.81 1.02 -1.12 -0.81 0.00 0.00 175.30 173.49 1uit s SER 112 N 2.85 5.60 -0.49 -2.12 0.01 -1.26 -5.05 113.70 113.24 1uit s SER 112 Ca 0.15 1.03 0.03 0.00 1.31 0.00 0.00 55.95 58.47 1uit s SER 112 Cb -0.12 -1.93 0.14 0.00 0.21 0.00 0.00 66.02 64.32 1uit s SER 112 CO -0.23 -1.18 0.27 -0.83 0.41 0.00 0.00 173.24 171.67 1uit s GLY 113 N -4.32 2.07 -0.53 3.44 0.00 -1.26 -5.07 107.32 101.66 1uit s GLY 113 Ca 0.56 -2.96 -0.28 0.00 0.00 0.00 0.00 44.72 42.04 1uit s GLY 113 CO 0.50 1.31 1.48 2.56 0.00 0.00 0.00 173.10 178.94 1uit s PRO 114 N -0.05 3.29 0.78 2.90 0.04 -1.26 -4.98 135.00 135.72 1uit s PRO 114 Ca 0.18 0.61 -0.14 0.00 0.04 0.00 0.00 61.00 61.69 1uit s PRO 114 Cb -0.23 -4.14 0.05 0.00 0.04 0.00 0.00 34.50 30.22 1uit s PRO 114 CO -0.02 -1.95 1.07 0.45 0.04 0.00 0.00 177.00 176.59 1uit n SER 115 N 9.79 0.64 -4.71 6.66 2.88 -1.26 -4.95 113.62 122.67 1uit n SER 115 Ca 0.14 0.60 -0.31 0.00 -1.33 0.00 0.00 58.87 57.97 1uit n SER 115 Cb 0.49 -1.45 0.13 0.00 -0.75 0.00 0.00 64.21 62.63 1uit n SER 115 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uit s SER 116 N -1.92 3.56 0.00 -3.46 0.01 -1.26 -5.34 113.70 105.29 1uit s SER 116 Ca 0.72 2.08 0.00 0.00 1.31 0.00 0.00 55.95 60.07 1uit s SER 116 Cb -0.31 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.37 1uit s SER 116 CO 0.52 -2.68 0.00 0.61 0.41 0.00 0.00 173.24 172.10