#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 2.93 0.22 1.61 0.15 -1.26 -5.12 113.70 112.22 1uit s SER 2 Ca 0.00 -1.76 -0.06 0.00 0.70 0.00 0.00 55.95 54.84 1uit s SER 2 Cb 0.00 -0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.04 1uit s SER 2 CO 0.00 -0.35 0.27 -0.55 1.20 0.00 0.00 173.24 173.80 1uit s SER 3 N 1.52 0.06 0.00 5.45 0.15 -1.26 -5.16 113.70 114.46 1uit s SER 3 Ca 0.14 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1uit s SER 3 Cb -0.20 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1uit s SER 3 CO -0.14 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 173.96 1uit n GLY 4 N -0.31 0.96 3.16 9.45 0.00 -1.26 -5.14 105.19 112.05 1uit n GLY 4 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1uit n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uit s SER 5 N 0.17 -0.36 0.35 1.61 1.04 -1.26 -5.17 113.70 110.08 1uit s SER 5 Ca 0.00 0.66 0.09 0.00 0.48 0.00 0.00 55.95 57.18 1uit s SER 5 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.64 1uit s SER 5 CO 0.00 -0.16 0.03 -0.44 0.98 0.00 0.00 173.24 173.65 1uit s SER 6 N 1.04 4.23 0.21 7.02 0.01 -1.26 -5.14 113.70 119.81 1uit s SER 6 Ca -0.07 -0.99 0.05 0.00 1.31 0.00 0.00 55.95 56.25 1uit s SER 6 Cb -0.08 -0.54 -0.03 0.00 0.21 0.00 0.00 66.02 65.57 1uit s SER 6 CO -0.08 -0.27 0.24 -0.83 0.41 0.00 0.00 173.24 172.72 1uit s GLY 7 N -3.74 1.47 0.00 3.44 0.00 -1.26 -5.00 107.32 102.24 1uit s GLY 7 Ca 0.35 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1uit s GLY 7 CO 0.20 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.63 1uit n GLY 8 N -0.95 1.92 2.73 0.20 0.00 -1.26 -5.14 105.19 102.70 1uit n GLY 8 Ca -0.08 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 1uit n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1uit s GLU 9 N -1.05 0.21 0.29 1.61 4.04 -1.26 -5.14 118.70 117.40 1uit s GLU 9 Ca 0.00 0.23 -0.17 0.00 0.04 0.00 0.00 54.97 55.07 1uit s GLU 9 Cb 0.00 -0.64 0.02 0.00 0.02 0.00 0.00 34.13 33.53 1uit s GLU 9 CO 0.00 -0.28 0.65 1.03 -1.84 0.00 0.00 175.26 174.82 1uit s ARG 10 N 1.85 1.81 0.01 -4.83 0.52 -1.26 -5.14 118.95 111.91 1uit s ARG 10 Ca 0.02 -1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 53.74 1uit s ARG 10 Cb -0.12 0.57 -0.04 0.00 0.52 0.00 0.00 34.95 35.88 1uit s ARG 10 CO -0.03 -0.81 1.03 1.03 0.02 0.00 0.00 175.30 176.54 1uit s ARG 11 N -3.62 4.52 0.01 3.54 0.52 -1.26 -4.60 118.95 118.07 1uit s ARG 11 Ca 0.16 1.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.87 1uit s ARG 11 Cb -0.04 -3.44 0.00 0.00 0.52 0.00 0.00 34.95 31.99 1uit s ARG 11 CO 0.09 -0.11 0.00 1.17 0.02 0.00 0.00 175.30 176.47 1uit n LYS 12 N 3.97 0.00 -3.61 3.54 4.81 -1.26 -5.16 118.16 120.45 1uit n LYS 12 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.50 1uit n LYS 12 Cb 0.50 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.54 1uit n LYS 12 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1uit s ASP 13 N -1.83 -0.08 -0.28 3.14 1.47 -1.26 -5.14 116.67 112.68 1uit s ASP 13 Ca 0.00 -0.09 -0.11 0.00 1.18 0.00 0.00 52.55 53.54 1uit s ASP 13 Cb 0.00 0.15 -0.05 0.00 -0.34 0.00 0.00 42.92 42.69 1uit s ASP 13 CO 0.00 -0.27 0.18 -0.13 0.68 0.00 0.00 175.17 175.62 1uit s ARG 14 N -2.42 3.91 0.33 2.11 3.00 -1.26 -4.95 118.95 119.68 1uit s ARG 14 Ca 0.12 -0.34 0.26 0.00 0.00 0.00 0.00 55.73 55.78 1uit s ARG 14 Cb 0.03 -3.62 0.89 0.00 0.00 0.00 0.00 34.95 32.24 1uit s ARG 14 CO -0.04 -0.18 1.77 -1.00 0.00 0.00 0.00 175.30 175.84 1uit h PRO 15 N 8.36 0.00 0.00 3.54 0.13 -2.01 -3.42 132.00 138.60 1uit h PRO 15 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1uit h PRO 15 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1uit h PRO 15 CO 0.55 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.80 1uit n TYR 16 N -2.57 -0.65 -3.59 1.56 4.11 -1.26 -5.15 117.16 109.61 1uit n TYR 16 Ca 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.87 1uit n TYR 16 Cb 0.36 0.13 -0.03 0.00 -0.00 0.00 0.00 39.34 39.80 1uit n TYR 16 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1uit s VAL 17 N -1.27 0.00 -0.47 -3.48 0.11 -1.26 -5.03 120.40 109.00 1uit s VAL 17 Ca 0.00 0.00 -0.34 0.00 -2.93 0.00 0.00 61.98 58.71 1uit s VAL 17 Cb 0.00 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.72 1uit s VAL 17 CO 0.00 0.00 2.29 -0.62 -3.33 0.00 0.00 175.10 173.44 1uit n GLU 18 N 0.23 0.84 -1.12 1.54 1.02 -1.26 -4.83 120.64 117.06 1uit n GLU 18 Ca -0.04 0.19 -0.37 0.00 -0.02 0.00 0.00 57.16 56.93 1uit n GLU 18 Cb 0.59 -2.39 0.02 0.00 -0.02 0.00 0.00 31.44 29.64 1uit n GLU 18 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1uit n GLU 19 N 8.30 0.00 -2.53 3.49 0.00 -1.26 -4.39 120.64 124.25 1uit n GLU 19 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 57.16 57.24 1uit n GLU 19 Cb 0.22 -0.96 -0.04 0.00 0.00 0.00 0.00 31.44 30.67 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 -1.27 4.18 0.37 3.44 0.04 -1.26 -4.77 135.00 135.73 1uit s PRO 20 Ca 0.49 1.54 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1uit s PRO 20 Cb -0.38 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.52 1uit s PRO 20 CO 0.69 -0.14 0.05 -0.98 0.04 0.00 0.00 177.00 176.66 1uit s ARG 21 N -2.44 1.82 -0.32 4.56 1.70 -0.61 -5.00 118.95 118.66 1uit s ARG 21 Ca 0.57 -2.04 0.03 0.00 -0.47 0.00 0.00 55.73 53.82 1uit s ARG 21 Cb -0.23 -1.11 0.09 0.00 -0.57 0.00 0.00 34.95 33.14 1uit s ARG 21 CO 0.29 -0.20 0.02 -1.01 -1.08 0.00 0.00 175.30 173.32 1uit s HIS 22 N -3.09 3.54 -0.24 5.89 3.76 -1.26 -2.42 115.29 121.47 1uit s HIS 22 Ca 0.32 -2.78 -0.20 0.00 -0.15 0.00 0.00 55.06 52.24 1uit s HIS 22 Cb 0.08 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 1uit s HIS 22 CO 0.15 -0.93 0.62 0.08 -0.85 0.00 0.00 174.74 173.81 1uit s VAL 23 N 0.99 5.00 0.39 -0.90 1.01 0.19 -4.83 120.40 122.25 1uit s VAL 23 Ca 0.07 1.13 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 1uit s VAL 23 Cb -0.19 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1uit s VAL 23 CO -0.08 0.05 0.85 -0.54 0.00 0.00 0.00 175.10 175.38 1uit s LYS 24 N 2.35 4.06 -0.04 2.72 1.02 -1.26 0.62 119.74 129.22 1uit s LYS 24 Ca 0.26 0.86 0.02 0.00 0.02 0.00 0.00 55.97 57.14 1uit s LYS 24 Cb -0.16 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 34.87 1uit s LYS 24 CO 0.09 0.01 -0.10 0.08 -0.92 0.00 0.00 175.35 174.52 1uit s VAL 25 N -2.17 0.87 -0.91 3.17 1.01 0.22 -4.57 120.40 118.01 1uit s VAL 25 Ca 0.58 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1uit s VAL 25 Cb -0.10 -0.78 0.30 0.00 0.00 0.00 0.00 36.38 35.80 1uit s VAL 25 CO 0.19 0.28 1.28 0.00 0.00 0.00 0.00 175.10 176.84 1uit n GLN 26 N 3.45 3.96 0.00 2.72 6.02 -1.26 -1.87 117.38 130.39 1uit n GLN 26 Ca -0.20 -4.63 0.00 0.00 -0.01 0.00 0.00 57.00 52.16 1uit n GLN 26 Cb 0.53 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 29.38 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 0.88 0.00 0.00 -1.09 3.00 0.31 -4.85 118.16 116.41 1uit n LYS 27 Ca 0.30 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 1uit n LYS 27 Cb 0.35 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.39 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 2.08 1.56 3.14 0.00 0.18 -3.78 105.19 107.77 1uit n GLY 28 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 3.75 -0.74 -4.20 1.61 3.41 -1.26 -4.59 113.62 111.60 1uit n SER 29 Ca 0.00 -1.47 -0.13 0.00 -0.26 0.00 0.00 58.87 57.01 1uit n SER 29 Cb 0.00 0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.04 0.92 0.75 4.33 2.02 -1.25 -5.15 118.70 120.37 1uit s GLU 30 Ca 0.03 -1.33 -0.11 0.00 0.02 0.00 0.00 54.97 53.57 1uit s GLU 30 Cb 0.14 -0.45 0.04 0.00 0.10 0.00 0.00 34.13 33.97 1uit s GLU 30 CO -0.04 0.04 1.08 -1.25 0.02 0.00 0.00 175.26 175.11 1uit s PRO 31 N -3.54 2.46 -0.03 0.39 0.04 -1.26 -4.87 135.00 128.19 1uit s PRO 31 Ca 0.12 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 1uit s PRO 31 Cb 0.02 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1uit s PRO 31 CO -0.01 -1.39 0.62 1.25 0.04 0.00 0.00 177.00 177.51 1uit h LEU 32 N -0.92 -0.45 -2.87 -3.56 5.85 -1.96 -3.28 115.31 108.13 1uit h LEU 32 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1uit h LEU 32 Cb 1.24 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1uit h LEU 32 CO 0.58 -0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.26 1uit n GLY 33 N 0.40 0.89 3.09 3.75 0.00 -1.26 -2.00 105.19 110.06 1uit n GLY 33 Ca -0.07 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.97 0.02 -0.04 -0.61 -5.25 -1.26 -0.12 121.20 110.97 1uit s ILE 34 Ca 0.00 -0.17 -0.04 0.00 -0.99 0.00 0.00 60.65 59.45 1uit s ILE 34 Cb 0.00 -0.32 -0.04 0.00 2.95 0.00 0.00 42.46 45.05 1uit s ILE 34 CO 0.00 -0.09 0.18 -0.55 -1.79 0.00 0.00 174.94 172.69 1uit s SER 35 N -0.27 6.39 0.08 4.36 0.15 0.16 -4.96 113.70 119.61 1uit s SER 35 Ca -0.04 0.41 0.03 0.00 0.70 0.00 0.00 55.95 57.05 1uit s SER 35 Cb -0.03 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.22 1uit s SER 35 CO 0.01 0.30 -0.09 0.27 1.20 0.00 0.00 173.24 174.93 1uit s ILE 36 N -1.24 0.77 0.01 6.45 -5.25 -1.26 0.21 121.20 120.88 1uit s ILE 36 Ca 0.24 -1.52 -0.02 0.00 -0.99 0.00 0.00 60.65 58.36 1uit s ILE 36 Cb -0.13 -1.19 -0.01 0.00 2.95 0.00 0.00 42.46 44.09 1uit s ILE 36 CO 0.14 -0.56 0.03 0.68 -1.79 0.00 0.00 174.94 173.44 1uit s VAL 37 N -2.33 0.09 0.02 8.37 -7.23 0.35 -4.75 120.40 114.92 1uit s VAL 37 Ca 0.02 -0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.47 1uit s VAL 37 Cb -0.04 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 1uit s VAL 37 CO -0.01 -0.39 0.14 -0.55 -0.31 0.00 0.00 175.10 173.98 1uit s SER 38 N -1.21 6.01 -0.08 4.85 0.15 -1.26 -1.05 113.70 121.10 1uit s SER 38 Ca -0.13 0.21 0.10 0.00 0.70 0.00 0.00 55.95 56.83 1uit s SER 38 Cb -0.08 -1.79 0.43 0.00 -1.71 0.00 0.00 66.02 62.87 1uit s SER 38 CO -0.00 0.24 1.26 0.61 1.20 0.00 0.00 173.24 176.54 1uit n GLY 39 N 0.86 1.81 5.00 9.45 0.00 -1.16 -4.94 105.19 116.21 1uit n GLY 39 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.52 0.00 -0.18 1.61 4.07 -1.26 -4.18 120.64 121.21 1uit n GLU 40 Ca 0.15 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.22 1uit n GLU 40 Cb 0.62 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 32.07 1uit n GLU 40 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1uit h LYS 41 N 0.00 0.46 0.00 5.31 1.57 -2.00 -3.47 116.57 118.44 1uit h LYS 41 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1uit h LYS 41 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1uit h LYS 41 CO 0.00 0.31 0.00 0.41 -0.57 0.00 0.00 179.45 179.60 1uit n GLY 42 N -1.27 3.48 0.00 3.86 0.00 -1.26 -5.01 105.19 105.00 1uit n GLY 42 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.05 2.59 3.20 -0.02 0.00 -1.26 -4.41 105.19 104.24 1uit n GLY 43 Ca 0.00 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.08 1.69 -0.03 -0.61 -1.09 -1.26 -3.01 121.20 114.80 1uit s ILE 44 Ca 0.00 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.58 1uit s ILE 44 Cb 0.00 -1.43 0.00 0.00 -1.58 0.00 0.00 42.46 39.45 1uit s ILE 44 CO 0.00 0.48 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.77 1uit s TYR 45 N -0.11 1.12 0.07 3.97 1.51 -0.22 -3.13 117.35 120.55 1uit s TYR 45 Ca -0.02 -0.29 -0.31 0.00 -1.01 0.00 0.00 57.07 55.44 1uit s TYR 45 Cb -0.12 -0.78 -0.08 0.00 -0.11 0.00 0.00 41.96 40.87 1uit s TYR 45 CO 0.02 -0.11 1.65 0.08 -1.11 0.00 0.00 175.55 176.07 1uit s VAL 46 N 0.16 3.06 -0.14 0.71 1.01 -1.25 -0.49 120.40 123.47 1uit s VAL 46 Ca -0.03 0.51 0.20 0.00 0.00 0.00 0.00 61.98 62.66 1uit s VAL 46 Cb -0.09 -3.33 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 1uit s VAL 46 CO 0.01 -0.00 0.70 -0.24 0.00 0.00 0.00 175.10 175.57 1uit n SER 47 N 5.61 0.50 -3.59 3.32 2.88 0.13 -3.10 113.62 119.37 1uit n SER 47 Ca 0.16 0.21 0.02 0.00 -1.33 0.00 0.00 58.87 57.93 1uit n SER 47 Cb 0.41 0.90 -0.00 0.00 -0.75 0.00 0.00 64.21 64.76 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 -3.19 0.25 -0.19 -1.46 2.20 -1.19 -4.93 119.74 111.23 1uit s LYS 48 Ca -0.05 -0.14 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1uit s LYS 48 Cb 0.10 0.09 0.09 0.00 -1.51 0.00 0.00 37.83 36.60 1uit s LYS 48 CO 0.84 -0.11 0.37 0.54 -0.36 0.00 0.00 175.35 176.62 1uit s VAL 49 N -2.27 -0.58 1.13 4.02 0.11 -1.26 0.37 120.40 121.93 1uit s VAL 49 Ca 0.14 0.16 -0.18 0.00 -2.93 0.00 0.00 61.98 59.17 1uit s VAL 49 Cb 0.06 -0.63 0.14 0.00 -1.53 0.00 0.00 36.38 34.41 1uit s VAL 49 CO -0.05 0.05 0.17 0.41 -3.33 0.00 0.00 175.10 172.35 1uit n THR 50 N 5.38 0.00 -4.40 5.04 -1.04 0.83 -4.93 114.28 115.15 1uit n THR 50 Ca -0.07 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.05 61.29 1uit n THR 50 Cb 0.50 -0.67 -0.10 0.00 -1.82 0.00 0.00 70.33 68.24 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 -2.26 3.75 -0.62 12.58 0.11 -1.26 -4.28 120.40 128.42 1uit s VAL 51 Ca 0.58 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1uit s VAL 51 Cb -0.14 -2.65 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 1uit s VAL 51 CO 0.66 0.37 0.00 0.61 -3.33 0.00 0.00 175.10 173.41 1uit n GLY 52 N 1.46 0.72 3.91 6.54 0.00 -1.26 -4.98 105.19 111.58 1uit n GLY 52 Ca -0.15 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.38 5.82 0.06 1.61 0.01 -1.26 -4.91 113.70 112.65 1uit s SER 53 Ca 0.00 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.95 1uit s SER 53 Cb 0.00 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.77 1uit s SER 53 CO 0.00 -0.18 1.15 -0.38 0.41 0.00 0.00 173.24 174.23 1uit n ILE 54 N -1.38 -0.27 -0.13 1.44 2.08 -1.22 -0.09 119.36 119.79 1uit n ILE 54 Ca -0.06 1.76 -0.04 0.00 0.56 0.00 0.00 62.75 64.98 1uit n ILE 54 Cb 0.58 -2.26 -0.03 0.00 -0.75 0.00 0.00 39.64 37.18 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 -3.09 -0.20 -0.33 -1.39 0.00 -0.85 0.90 120.51 115.55 1uit n ALA 55 Ca 0.01 0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.85 1uit n ALA 55 Cb 0.11 0.29 0.27 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.05 -0.71 0.00 -0.00 -1.23 1.51 115.15 114.66 1uit h HIS 56 Ca 0.05 0.07 -0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1uit h HIS 56 Cb 0.13 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.69 1uit h HIS 56 CO -0.95 -0.40 0.44 1.96 -0.00 0.00 0.00 177.93 178.98 1uit h GLN 57 N 0.03 0.96 -0.53 5.26 4.20 0.41 -1.43 115.11 124.00 1uit h GLN 57 Ca 0.57 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 59.21 1uit h GLN 57 Cb 1.14 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 1uit h GLN 57 CO -0.89 0.67 0.35 0.00 -0.67 0.00 0.00 178.83 178.30 1uit h ALA 58 N 1.24 1.63 0.00 3.87 0.00 0.73 -3.47 119.26 123.26 1uit h ALA 58 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uit h ALA 58 Cb -0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.52 1uit h ALA 58 CO -0.05 0.34 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1uit n GLY 59 N -1.46 0.72 3.97 0.00 0.00 0.29 -4.72 105.19 103.98 1uit n GLY 59 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 3.01 0.28 0.99 1.43 -1.20 -5.04 118.68 118.15 1uit s LEU 60 Ca 0.00 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.86 1uit s LEU 60 Cb 0.00 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.77 1uit s LEU 60 CO 0.00 -1.67 0.84 -1.83 0.23 0.00 0.00 176.35 173.92 1uit s GLU 61 N -5.11 1.78 0.30 1.70 -1.05 -1.26 -4.86 118.70 110.21 1uit s GLU 61 Ca 0.63 -1.08 -0.17 0.00 -0.15 0.00 0.00 54.97 54.20 1uit s GLU 61 Cb -0.08 0.54 -0.09 0.00 -0.44 0.00 0.00 34.13 34.07 1uit s GLU 61 CO 0.43 -0.83 0.76 -0.47 0.95 0.00 0.00 175.26 176.10 1uit s TYR 62 N -2.91 3.45 0.00 4.83 6.14 -1.26 -3.75 117.35 123.85 1uit s TYR 62 Ca 0.15 1.31 0.00 0.00 0.64 0.00 0.00 57.07 59.17 1uit s TYR 62 Cb -0.04 -2.59 0.00 0.00 0.42 0.00 0.00 41.96 39.74 1uit s TYR 62 CO 0.08 0.15 0.00 0.41 0.64 0.00 0.00 175.55 176.83 1uit n GLY 63 N -0.05 2.97 3.58 8.97 0.00 -1.18 -4.97 105.19 114.50 1uit n GLY 63 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1uit n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uit s ASP 64 N -1.30 5.77 -0.01 1.61 1.01 -1.25 -4.38 116.67 118.12 1uit s ASP 64 Ca 0.00 0.74 -0.30 0.00 0.71 0.00 0.00 52.55 53.70 1uit s ASP 64 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1uit s ASP 64 CO 0.00 -1.91 1.31 -1.58 0.21 0.00 0.00 175.17 173.20 1uit s GLN 65 N 6.03 4.32 -0.54 8.23 0.74 -1.26 -3.93 119.66 133.25 1uit s GLN 65 Ca 0.69 1.85 -0.28 0.00 0.05 0.00 0.00 55.36 57.66 1uit s GLN 65 Cb -0.16 -3.53 0.03 0.00 1.10 0.00 0.00 33.01 30.45 1uit s GLN 65 CO 0.28 -0.49 1.15 -0.51 -0.55 0.00 0.00 175.29 175.17 1uit s LEU 66 N 2.13 3.56 -0.11 3.68 1.43 -1.18 -3.13 118.68 125.05 1uit s LEU 66 Ca 0.61 0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.63 1uit s LEU 66 Cb -0.29 -3.26 -0.28 0.00 0.03 0.00 0.00 46.19 42.39 1uit s LEU 66 CO 0.25 -1.38 0.78 -0.07 0.23 0.00 0.00 176.35 176.16 1uit h LEU 67 N 11.61 0.16 -7.24 1.79 3.38 -1.10 -3.38 115.31 120.54 1uit h LEU 67 Ca -0.24 -0.96 -0.11 0.00 0.09 0.00 0.00 57.88 56.65 1uit h LEU 67 Cb 1.06 -0.05 -0.25 0.00 0.09 0.00 0.00 40.66 41.50 1uit h LEU 67 CO 1.16 1.17 -0.26 -1.61 0.09 0.00 0.00 178.44 178.98 1uit s GLU 68 N -2.30 0.44 -0.44 1.13 2.02 -1.13 -1.60 118.70 116.81 1uit s GLU 68 Ca -0.18 0.74 -0.11 0.00 0.02 0.00 0.00 54.97 55.44 1uit s GLU 68 Cb -0.01 0.07 0.08 0.00 0.10 0.00 0.00 34.13 34.36 1uit s GLU 68 CO 0.73 -0.13 0.31 0.12 0.02 0.00 0.00 175.26 176.32 1uit s PHE 69 N 1.03 3.30 -1.46 1.61 2.19 -0.63 0.26 117.98 124.28 1uit s PHE 69 Ca -0.06 -1.31 0.00 0.00 0.33 0.00 0.00 56.93 55.89 1uit s PHE 69 Cb -0.07 -3.02 0.00 0.00 -1.31 0.00 0.00 43.02 38.62 1uit s PHE 69 CO -0.09 -0.83 0.00 -1.71 1.83 0.00 0.00 175.22 174.43 1uit n ASN 70 N 5.02 -5.29 0.00 6.13 5.15 -0.07 -1.12 115.26 125.08 1uit n ASN 70 Ca -0.11 0.34 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1uit n ASN 70 Cb 0.43 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 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 0.02 3.44 3.32 8.20 0.00 -1.26 -4.93 105.19 113.99 1uit n GLY 71 Ca -0.14 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 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 0.87 -3.03 -0.61 5.41 -0.28 -4.83 119.36 116.90 1uit n ILE 72 Ca 0.00 -0.50 -0.44 0.00 1.00 0.00 0.00 62.75 62.81 1uit n ILE 72 Cb 0.00 -0.04 -0.04 0.00 -0.71 0.00 0.00 39.64 38.85 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 -1.00 6.19 0.03 4.38 3.84 -1.26 -1.60 114.94 125.53 1uit s ASN 73 Ca 0.60 -1.22 -0.21 0.00 0.21 0.00 0.00 52.86 52.24 1uit s ASN 73 Cb -0.67 -2.34 -0.15 0.00 -0.55 0.00 0.00 41.25 37.54 1uit s ASN 73 CO 0.62 -1.20 1.35 -0.07 -2.79 0.00 0.00 177.10 175.01 1uit h LEU 74 N 10.41 0.32 -8.03 3.21 -0.00 -1.54 -3.43 115.31 116.26 1uit h LEU 74 Ca -0.29 -0.46 -0.77 0.00 -0.00 0.00 0.00 57.88 56.35 1uit h LEU 74 Cb 1.08 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.62 1uit h LEU 74 CO 1.11 0.72 1.19 0.54 -0.00 0.00 0.00 178.44 182.00 1uit n ARG 75 N -4.62 0.00 -1.61 1.13 1.74 -1.20 0.15 116.66 112.26 1uit n ARG 75 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1uit n ARG 75 Cb 0.33 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 6.79 -1.02 -4.80 0.55 2.88 -1.26 -4.97 113.62 111.79 1uit n SER 76 Ca 0.50 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.77 1uit n SER 76 Cb -0.04 -0.37 -0.05 0.00 -0.75 0.00 0.00 64.21 63.00 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 -2.28 3.59 0.05 -1.46 0.00 0.40 -4.91 121.76 117.15 1uit s ALA 77 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 1uit s ALA 77 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1uit s ALA 77 CO 0.00 0.53 0.25 0.95 0.00 0.00 0.00 175.76 177.49 1uit s THR 78 N -1.71 5.34 0.32 0.00 -4.23 -1.26 -4.14 115.64 109.96 1uit s THR 78 Ca 0.31 -0.14 0.10 0.00 -1.18 0.00 0.00 61.69 60.78 1uit s THR 78 Cb -0.10 -3.59 0.32 0.00 1.34 0.00 0.00 72.50 70.46 1uit s THR 78 CO 0.23 0.21 1.69 1.05 -0.54 0.00 0.00 174.62 177.26 1uit h GLU 79 N 3.40 0.39 -0.20 3.99 4.11 -1.91 1.40 114.58 125.75 1uit h GLU 79 Ca -0.47 -0.02 -0.06 0.00 0.07 0.00 0.00 59.36 58.88 1uit h GLU 79 Cb 1.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1uit h GLU 79 CO 0.72 0.26 -0.14 -0.56 0.07 0.00 0.00 179.01 179.35 1uit h GLN 80 N 0.40 0.32 0.01 1.06 -0.00 -1.97 -1.23 115.11 113.69 1uit h GLN 80 Ca 0.66 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 59.23 1uit h GLN 80 Cb 1.38 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.82 1uit h GLN 80 CO -0.56 0.47 -0.01 1.96 -0.00 0.00 0.00 178.83 180.69 1uit h GLN 81 N 0.30 -0.01 0.15 0.06 4.20 0.14 -2.99 115.11 116.96 1uit h GLN 81 Ca 0.06 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1uit h GLN 81 Cb 0.43 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1uit h GLN 81 CO 0.03 0.58 -0.37 0.00 -0.67 0.00 0.00 178.83 178.40 1uit h ALA 82 N 0.35 -0.66 -0.25 3.87 0.00 -0.61 1.12 119.26 123.07 1uit h ALA 82 Ca -0.00 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1uit h ALA 82 Cb 0.60 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1uit h ALA 82 CO 0.00 -0.93 0.56 0.00 0.00 0.00 0.00 179.25 178.88 1uit h ARG 83 N -0.62 0.00 0.00 0.00 3.08 -1.31 0.84 114.38 116.37 1uit h ARG 83 Ca 0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 1uit h ARG 83 Cb 0.64 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1uit h ARG 83 CO -0.20 0.00 -1.14 1.28 -1.07 0.00 0.00 179.97 178.84 1uit n LEU 84 N -3.14 1.85 -0.01 3.04 4.77 0.88 -1.96 117.00 122.44 1uit n LEU 84 Ca 0.04 0.47 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 1uit n LEU 84 Cb 0.68 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1uit n LEU 84 CO 0.17 0.11 0.78 0.40 -1.33 0.00 0.00 177.39 177.52 1uit h ILE 85 N -1.00 0.65 -0.43 -0.08 2.04 0.33 -1.39 117.51 117.62 1uit h ILE 85 Ca -0.28 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 1uit h ILE 85 Cb 1.13 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1uit h ILE 85 CO -0.17 0.00 -0.28 0.16 0.00 0.00 0.00 178.15 177.86 1uit h ILE 86 N -0.15 1.27 -0.40 -0.67 3.07 0.40 -2.99 117.51 118.04 1uit h ILE 86 Ca 0.09 -1.45 -0.26 0.00 1.55 0.00 0.00 64.86 64.80 1uit h ILE 86 Cb 0.28 1.23 -0.10 0.00 -0.27 0.00 0.00 36.82 37.96 1uit h ILE 86 CO -0.22 0.49 0.21 0.61 -1.05 0.00 0.00 178.15 178.19 1uit n GLY 87 N -0.04 3.61 1.23 0.16 0.00 -0.71 -4.79 105.19 104.65 1uit n GLY 87 Ca -0.01 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 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 0.98 0.98 -4.23 1.61 6.02 -0.61 -4.79 117.38 117.35 1uit n GLN 88 Ca 0.27 -1.02 -0.33 0.00 -0.01 0.00 0.00 57.00 55.91 1uit n GLN 88 Cb 0.59 -0.02 -0.08 0.00 1.02 0.00 0.00 30.24 31.75 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 -2.80 2.91 0.00 -1.09 1.03 -1.26 -5.03 119.66 113.43 1uit s GLN 89 Ca 0.16 -0.53 0.00 0.00 0.04 0.00 0.00 55.36 55.03 1uit s GLN 89 Cb -0.01 -2.76 0.00 0.00 0.03 0.00 0.00 33.01 30.27 1uit s GLN 89 CO 0.10 0.65 0.00 0.00 -2.54 0.00 0.00 175.29 173.50 1uit h ASP 91 N 0.00 -0.15 -3.30 0.00 5.19 -1.96 -3.38 116.42 112.82 1uit h ASP 91 Ca 0.00 0.17 -0.49 0.00 -0.62 0.00 0.00 57.03 56.09 1uit h ASP 91 Cb 0.00 0.27 -0.36 0.00 0.18 0.00 0.00 39.33 39.42 1uit h ASP 91 CO 0.00 -0.12 -0.80 -0.89 -3.12 0.00 0.00 179.24 174.32 1uit s THR 92 N -6.07 0.90 0.04 0.35 2.01 -1.26 0.52 115.64 112.13 1uit s THR 92 Ca -0.13 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1uit s THR 92 Cb 0.22 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1uit s THR 92 CO 0.76 0.33 -0.09 -0.51 -0.69 0.00 0.00 174.62 174.42 1uit s ILE 93 N 1.32 0.62 0.39 1.82 -1.16 -0.78 -4.98 121.20 118.44 1uit s ILE 93 Ca -0.03 -1.00 0.08 0.00 -0.51 0.00 0.00 60.65 59.18 1uit s ILE 93 Cb -0.14 -0.65 -0.02 0.00 0.61 0.00 0.00 42.46 42.26 1uit s ILE 93 CO -0.03 -0.29 0.34 -0.89 -2.81 0.00 0.00 174.94 171.26 1uit s THR 94 N -1.19 2.91 -0.01 4.00 2.01 -1.26 0.69 115.64 122.78 1uit s THR 94 Ca -0.07 -1.38 -0.01 0.00 0.31 0.00 0.00 61.69 60.55 1uit s THR 94 Cb -0.09 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.38 1uit s THR 94 CO 0.01 -0.06 0.02 -0.63 -0.69 0.00 0.00 174.62 173.27 1uit s ILE 95 N -2.43 -0.01 -0.73 1.82 1.01 0.20 -0.89 121.20 120.17 1uit s ILE 95 Ca 0.45 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 1uit s ILE 95 Cb -0.04 -0.04 0.19 0.00 0.01 0.00 0.00 42.46 42.58 1uit s ILE 95 CO 0.27 0.02 0.60 -0.22 0.00 0.00 0.00 174.94 175.60 1uit s LEU 96 N 0.21 5.73 0.62 2.97 2.96 0.14 0.52 118.68 131.84 1uit s LEU 96 Ca -0.02 -2.96 0.04 0.00 -0.22 0.00 0.00 54.13 50.98 1uit s LEU 96 Cb -0.02 -1.97 0.09 0.00 0.50 0.00 0.00 46.19 44.79 1uit s LEU 96 CO -0.01 -0.40 0.86 0.00 -1.32 0.00 0.00 176.35 175.48 1uit s ALA 97 N -0.22 4.18 -0.34 5.97 0.00 -1.02 -0.47 121.76 129.86 1uit s ALA 97 Ca 0.19 -1.84 -0.07 0.00 0.00 0.00 0.00 51.96 50.24 1uit s ALA 97 Cb -0.15 -1.77 0.21 0.00 0.00 0.00 0.00 23.12 21.40 1uit s ALA 97 CO -0.06 -1.05 1.07 -1.14 0.00 0.00 0.00 175.76 174.58 1uit s GLN 98 N -4.85 0.23 0.25 0.00 0.74 -1.18 -1.57 119.66 113.28 1uit s GLN 98 Ca 0.63 -0.19 -0.22 0.00 0.05 0.00 0.00 55.36 55.62 1uit s GLN 98 Cb -0.06 -0.00 -0.14 0.00 1.10 0.00 0.00 33.01 33.90 1uit s GLN 98 CO 0.41 -0.30 0.30 0.98 -0.55 0.00 0.00 175.29 176.13 1uit n TYR 99 N 2.93 -1.00 -3.64 1.67 4.19 -1.26 -4.39 117.16 115.66 1uit n TYR 99 Ca 0.10 0.73 -0.23 0.00 3.31 0.00 0.00 57.90 61.81 1uit n TYR 99 Cb 0.64 -1.65 -0.17 0.00 0.49 0.00 0.00 39.34 38.64 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 -0.88 1.71 -0.55 2.98 3.84 -1.26 -4.13 114.94 116.65 1uit s ASN 100 Ca 0.54 -0.25 -0.06 0.00 0.21 0.00 0.00 52.86 53.31 1uit s ASN 100 Cb -0.71 -0.18 -0.14 0.00 -0.55 0.00 0.00 41.25 39.66 1uit s ASN 100 CO 0.52 -0.30 2.69 -0.81 -2.79 0.00 0.00 177.10 176.41 1uit n PRO 101 N 5.29 2.08 -2.70 0.43 -0.04 -1.26 -3.70 135.00 135.10 1uit n PRO 101 Ca -0.05 -1.21 -0.07 0.00 -0.04 0.00 0.00 63.50 62.13 1uit n PRO 101 Cb 0.50 -2.20 0.11 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 -2.47 -2.79 0.54 8.25 -1.26 -5.02 115.22 115.68 1uit n HIS 102 Ca 0.45 -1.91 -0.09 0.00 -0.26 0.00 0.00 57.72 55.91 1uit n HIS 102 Cb 0.46 1.60 0.03 0.00 1.12 0.00 0.00 29.99 33.21 1uit n HIS 102 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1uit n VAL 103 N -0.47 -0.06 0.00 1.59 3.14 -1.24 -5.04 118.33 116.25 1uit n VAL 103 Ca -0.02 -1.60 0.00 0.00 -2.96 0.00 0.00 64.34 59.76 1uit n VAL 103 Cb 0.82 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.77 1uit n VAL 103 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1uit n HIS 104 N 1.86 0.00 -2.84 1.45 8.25 -1.26 -4.94 115.22 117.74 1uit n HIS 104 Ca 0.11 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.57 1uit n HIS 104 Cb 0.61 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 1uit n HIS 104 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1uit n GLN 105 N -1.60 -2.73 0.00 -0.41 7.27 -1.26 -5.02 117.38 113.64 1uit n GLN 105 Ca 0.00 2.30 -0.01 0.00 0.07 0.00 0.00 57.00 59.36 1uit n GLN 105 Cb 0.00 -4.05 -0.00 0.00 2.41 0.00 0.00 30.24 28.60 1uit n GLN 105 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1uit n LEU 106 N 1.05 0.35 -4.26 1.69 0.00 -1.26 -5.06 117.00 109.51 1uit n LEU 106 Ca -0.05 0.05 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 1uit n LEU 106 Cb 0.20 -0.21 0.12 0.00 0.00 0.00 0.00 43.42 43.53 1uit n LEU 106 CO 0.31 -0.54 -0.66 -0.24 0.00 0.00 0.00 177.39 176.26 1uit n SER 107 N -2.83 -2.79 -2.80 1.96 2.88 -1.26 -4.36 113.62 104.43 1uit n SER 107 Ca -0.01 0.09 -0.02 0.00 -1.33 0.00 0.00 58.87 57.60 1uit n SER 107 Cb 0.03 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 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 -0.33 -7.85 -2.75 -3.46 2.88 -1.26 -5.02 113.62 95.83 1uit n SER 108 Ca 0.02 1.20 -0.09 0.00 -1.33 0.00 0.00 58.87 58.68 1uit n SER 108 Cb 0.60 -4.91 0.06 0.00 -0.75 0.00 0.00 64.21 59.21 1uit n SER 108 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1uit n HIS 109 N 0.63 -3.17 0.04 0.66 -0.00 -1.26 -5.00 115.22 107.11 1uit n HIS 109 Ca 0.01 -1.89 -0.01 0.00 -0.00 0.00 0.00 57.72 55.83 1uit n HIS 109 Cb 0.12 1.56 -0.00 0.00 -0.00 0.00 0.00 29.99 31.67 1uit n HIS 109 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1uit n SER 110 N 1.26 1.15 -1.35 0.41 7.64 -1.26 -5.14 113.62 116.33 1uit n SER 110 Ca 0.08 0.15 0.16 0.00 1.01 0.00 0.00 58.87 60.28 1uit n SER 110 Cb 0.65 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.42 1uit n SER 110 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1uit n ARG 111 N -3.57 -2.81 -3.56 1.43 1.74 -1.26 -4.70 116.66 103.94 1uit n ARG 111 Ca -0.01 2.12 -0.41 0.00 -0.77 0.00 0.00 57.85 58.78 1uit n ARG 111 Cb 0.07 -3.41 -0.11 0.00 -1.02 0.00 0.00 32.46 27.99 1uit n ARG 111 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1uit s SER 112 N -6.77 5.84 -0.34 0.55 1.04 -1.26 -5.05 113.70 107.72 1uit s SER 112 Ca 0.00 -0.83 -0.29 0.00 0.48 0.00 0.00 55.95 55.31 1uit s SER 112 Cb 0.00 -2.07 0.01 0.00 0.10 0.00 0.00 66.02 64.06 1uit s SER 112 CO 0.00 -0.35 1.27 -0.83 0.98 0.00 0.00 173.24 174.30 1uit s GLY 113 N 1.62 1.36 0.37 7.32 0.00 -1.26 -5.00 107.32 111.73 1uit s GLY 113 Ca 0.04 -0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.48 1uit s GLY 113 CO 0.08 2.55 1.06 2.56 0.00 0.00 0.00 173.10 179.34 1uit s PRO 114 N 4.23 4.27 0.21 2.90 0.04 -1.26 -4.81 135.00 140.58 1uit s PRO 114 Ca 0.54 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1uit s PRO 114 Cb -0.14 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1uit s PRO 114 CO 0.24 -0.06 0.00 0.43 0.04 0.00 0.00 177.00 177.65 1uit n SER 115 N 0.23 -1.88 0.27 6.66 7.64 -1.26 -4.99 113.62 120.29 1uit n SER 115 Ca 0.04 0.59 -0.17 0.00 1.01 0.00 0.00 58.87 60.33 1uit n SER 115 Cb 0.48 1.98 -0.09 0.00 -1.01 0.00 0.00 64.21 65.57 1uit n SER 115 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1uit h SER 116 N 0.00 -1.19 0.00 6.43 4.64 -2.04 -3.58 113.55 117.80 1uit h SER 116 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1uit h SER 116 Cb 0.00 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1uit h SER 116 CO 0.00 -0.60 0.00 0.61 -0.87 0.00 0.00 176.83 175.97