#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uit s SER 2 N 0.00 3.34 -0.28 1.61 0.01 -1.26 -5.08 113.70 112.04 1uit s SER 2 Ca 0.00 -2.44 -0.20 0.00 1.31 0.00 0.00 55.95 54.62 1uit s SER 2 Cb 0.00 -0.76 0.09 0.00 0.21 0.00 0.00 66.02 65.56 1uit s SER 2 CO 0.00 -0.28 0.78 -0.44 0.41 0.00 0.00 173.24 173.71 1uit s SER 3 N 0.65 -0.76 0.00 2.44 0.01 -1.26 -5.16 113.70 109.63 1uit s SER 3 Ca 0.18 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1uit s SER 3 Cb -0.23 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.32 1uit s SER 3 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1uit n GLY 4 N 3.47 4.59 3.10 3.44 0.00 -1.26 -5.15 105.19 113.38 1uit n GLY 4 Ca -0.17 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 0.01 -0.98 1.61 1.04 -1.26 -5.09 113.70 109.03 1uit s SER 5 Ca 0.00 0.70 -0.17 0.00 0.48 0.00 0.00 55.95 56.96 1uit s SER 5 Cb 0.00 0.79 0.15 0.00 0.10 0.00 0.00 66.02 67.06 1uit s SER 5 CO 0.00 -0.22 1.15 -0.55 0.98 0.00 0.00 173.24 174.60 1uit s SER 6 N 2.13 6.76 0.19 7.02 0.15 -1.26 -5.01 113.70 123.68 1uit s SER 6 Ca -0.03 -2.38 -0.14 0.00 0.70 0.00 0.00 55.95 54.11 1uit s SER 6 Cb -0.11 -2.37 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 1uit s SER 6 CO -0.10 -0.91 0.58 -0.83 1.20 0.00 0.00 173.24 173.18 1uit s GLY 7 N 3.21 2.43 -0.03 9.45 0.00 -1.26 -5.09 107.32 116.03 1uit s GLY 7 Ca 0.33 -0.12 0.04 0.00 0.00 0.00 0.00 44.72 44.98 1uit s GLY 7 CO -0.07 0.14 -0.17 -0.32 0.00 0.00 0.00 173.10 172.67 1uit s GLY 8 N -1.90 0.88 -0.03 0.20 0.00 -1.26 -5.12 107.32 100.09 1uit s GLY 8 Ca 0.42 -0.69 -0.31 0.00 0.00 0.00 0.00 44.72 44.14 1uit s GLY 8 CO 0.20 -0.41 1.31 1.85 0.00 0.00 0.00 173.10 176.04 1uit s GLU 9 N -0.08 0.34 -0.79 2.90 2.12 -1.26 -5.10 118.70 116.84 1uit s GLU 9 Ca -0.01 -0.19 -0.21 0.00 0.36 0.00 0.00 54.97 54.93 1uit s GLU 9 Cb -0.10 0.12 0.10 0.00 0.26 0.00 0.00 34.13 34.51 1uit s GLU 9 CO 0.01 -0.16 1.03 1.03 -0.54 0.00 0.00 175.26 176.64 1uit s ARG 10 N -2.37 3.34 -0.19 4.30 0.52 -1.26 -4.95 118.95 118.35 1uit s ARG 10 Ca 0.14 -1.31 -0.07 0.00 -0.52 0.00 0.00 55.73 53.98 1uit s ARG 10 Cb 0.05 -4.58 0.08 0.00 0.52 0.00 0.00 34.95 31.03 1uit s ARG 10 CO -0.04 -1.79 0.40 1.03 0.02 0.00 0.00 175.30 174.92 1uit s ARG 11 N 3.35 0.30 0.94 3.54 0.52 -1.26 -5.15 118.95 121.19 1uit s ARG 11 Ca 0.27 0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 56.35 1uit s ARG 11 Cb -0.11 0.26 0.15 0.00 0.52 0.00 0.00 34.95 35.77 1uit s ARG 11 CO 0.00 -0.25 1.11 0.15 0.02 0.00 0.00 175.30 176.33 1uit s LYS 12 N 2.50 0.89 -0.38 3.54 3.01 -1.26 -4.95 119.74 123.08 1uit s LYS 12 Ca -0.02 1.26 0.05 0.00 -1.01 0.00 0.00 55.97 56.25 1uit s LYS 12 Cb -0.12 -1.73 0.46 0.00 -1.01 0.00 0.00 37.83 35.43 1uit s LYS 12 CO -0.12 -2.62 1.40 -0.25 0.51 0.00 0.00 175.35 174.27 1uit n ASP 13 N -4.20 5.54 -1.64 2.83 8.00 -1.26 -4.96 116.55 120.86 1uit n ASP 13 Ca 0.09 -3.76 -0.00 0.00 0.71 0.00 0.00 54.79 51.83 1uit n ASP 13 Cb 0.53 -0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1uit n ASP 13 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1uit n ARG 14 N -0.77 -0.45 0.08 -1.24 0.63 -1.26 -4.81 116.66 108.83 1uit n ARG 14 Ca 0.48 0.79 0.12 0.00 -0.92 0.00 0.00 57.85 58.32 1uit n ARG 14 Cb 0.89 -1.52 0.46 0.00 0.45 0.00 0.00 32.46 32.74 1uit n ARG 14 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1uit n PRO 15 N 0.11 0.15 -0.29 -0.14 -0.04 -1.26 -3.35 135.00 130.18 1uit n PRO 15 Ca -0.01 0.25 0.29 0.00 -0.04 0.00 0.00 63.50 63.99 1uit n PRO 15 Cb 0.02 -1.72 0.65 0.00 -0.04 0.00 0.00 33.50 32.41 1uit n PRO 15 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1uit h TYR 16 N 0.00 0.25 -3.83 0.54 3.20 -2.04 -3.40 116.97 111.70 1uit h TYR 16 Ca 0.00 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.66 1uit h TYR 16 Cb 0.49 -0.07 -0.25 0.00 1.54 0.00 0.00 36.73 38.43 1uit h TYR 16 CO 0.00 0.02 -0.72 0.54 -1.64 0.00 0.00 178.16 176.37 1uit s VAL 17 N -5.16 0.07 -0.57 1.81 0.11 -1.21 -5.07 120.40 110.38 1uit s VAL 17 Ca -0.06 -0.35 -0.38 0.00 -2.93 0.00 0.00 61.98 58.26 1uit s VAL 17 Cb 0.23 -0.13 -0.17 0.00 -1.53 0.00 0.00 36.38 34.79 1uit s VAL 17 CO 0.80 -0.17 2.29 -0.62 -3.33 0.00 0.00 175.10 174.06 1uit n GLU 18 N 2.53 0.30 -0.99 1.54 1.02 -1.25 -4.79 120.64 119.00 1uit n GLU 18 Ca -0.16 0.07 -0.34 0.00 -0.02 0.00 0.00 57.16 56.70 1uit n GLU 18 Cb 0.58 -1.82 0.03 0.00 -0.02 0.00 0.00 31.44 30.21 1uit n GLU 18 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1uit n GLU 19 N 7.96 0.00 -2.49 3.49 4.71 -1.26 -4.20 120.64 128.84 1uit n GLU 19 Ca 0.53 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 57.28 1uit n GLU 19 Cb 0.07 -0.92 -0.04 0.00 -1.01 0.00 0.00 31.44 29.54 1uit n GLU 19 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1uit s PRO 20 N -1.55 4.60 0.40 3.49 0.04 -1.26 -4.64 135.00 136.08 1uit s PRO 20 Ca 0.42 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.28 1uit s PRO 20 Cb -0.26 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.95 1uit s PRO 20 CO 0.71 0.09 0.03 -0.98 0.04 0.00 0.00 177.00 176.90 1uit s ARG 21 N -0.59 2.00 -0.23 4.56 1.70 0.20 -4.99 118.95 121.61 1uit s ARG 21 Ca 0.49 -2.04 -0.00 0.00 -0.47 0.00 0.00 55.73 53.70 1uit s ARG 21 Cb -0.30 -1.71 0.03 0.00 -0.57 0.00 0.00 34.95 32.39 1uit s ARG 21 CO 0.36 -0.05 -0.11 -1.01 -1.08 0.00 0.00 175.30 173.42 1uit s HIS 22 N -2.68 3.00 -0.25 5.89 3.76 -1.26 -2.00 115.29 121.75 1uit s HIS 22 Ca 0.36 -1.62 -0.06 0.00 -0.15 0.00 0.00 55.06 53.59 1uit s HIS 22 Cb 0.08 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 1uit s HIS 22 CO 0.19 -0.75 0.03 0.08 -0.85 0.00 0.00 174.74 173.44 1uit s VAL 23 N 1.30 3.91 0.58 -0.90 1.01 0.30 -4.91 120.40 121.69 1uit s VAL 23 Ca 0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 1uit s VAL 23 Cb -0.16 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1uit s VAL 23 CO -0.07 0.30 1.02 -0.54 0.00 0.00 0.00 175.10 175.81 1uit s LYS 24 N 1.54 3.67 -0.02 2.72 1.02 -1.26 -0.09 119.74 127.31 1uit s LYS 24 Ca 0.05 0.90 0.02 0.00 0.02 0.00 0.00 55.97 56.96 1uit s LYS 24 Cb -0.15 -2.09 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1uit s LYS 24 CO 0.01 -0.51 -0.06 0.08 -0.92 0.00 0.00 175.35 173.95 1uit s VAL 25 N -2.86 0.56 -0.88 3.17 1.01 0.16 -4.67 120.40 116.89 1uit s VAL 25 Ca 0.58 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.34 1uit s VAL 25 Cb -0.11 -0.53 0.29 0.00 0.00 0.00 0.00 36.38 36.03 1uit s VAL 25 CO 0.43 0.19 1.21 0.00 0.00 0.00 0.00 175.10 176.93 1uit n GLN 26 N 3.46 3.77 0.00 2.72 6.02 -1.26 -1.85 117.38 130.24 1uit n GLN 26 Ca -0.19 -4.63 0.00 0.00 -0.01 0.00 0.00 57.00 52.16 1uit n GLN 26 Cb 0.54 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 29.41 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 0.91 0.00 -2.28 -1.09 3.00 0.51 -4.95 118.16 114.26 1uit n LYS 27 Ca 0.30 0.14 -0.04 0.00 -0.00 0.00 0.00 58.31 58.71 1uit n LYS 27 Cb 0.36 -1.03 0.02 0.00 0.00 0.00 0.00 35.03 34.37 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 -0.63 0.27 2.46 3.14 0.00 0.12 -4.04 105.19 106.50 1uit n GLY 28 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.58 -2.05 -3.90 1.61 7.64 -1.26 -5.01 113.62 109.07 1uit n SER 29 Ca -0.06 -0.37 -0.09 0.00 1.01 0.00 0.00 58.87 59.35 1uit n SER 29 Cb 0.54 -3.28 -0.07 0.00 -1.01 0.00 0.00 64.21 60.39 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 -4.81 0.98 1.01 1.43 0.41 -1.26 -5.16 118.70 111.31 1uit s GLU 30 Ca 0.00 -1.05 -0.15 0.00 -0.41 0.00 0.00 54.97 53.35 1uit s GLU 30 Cb -0.00 0.36 0.20 0.00 -1.78 0.00 0.00 34.13 32.91 1uit s GLU 30 CO 0.44 -0.34 1.19 -1.25 -0.49 0.00 0.00 175.26 174.81 1uit s PRO 31 N -3.91 0.28 -0.24 0.39 0.04 -1.26 -4.88 135.00 125.42 1uit s PRO 31 Ca 0.10 -0.03 -0.07 0.00 0.04 0.00 0.00 61.00 61.04 1uit s PRO 31 Cb 0.04 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.69 1uit s PRO 31 CO -0.06 -2.71 -0.28 -0.11 0.04 0.00 0.00 177.00 173.88 1uit n LEU 32 N -4.06 2.25 -2.52 -3.56 7.94 -1.26 -3.66 117.00 112.12 1uit n LEU 32 Ca 0.11 0.13 -0.05 0.00 -1.11 0.00 0.00 56.01 55.10 1uit n LEU 32 Cb 0.59 -0.77 0.02 0.00 0.53 0.00 0.00 43.42 43.80 1uit n LEU 32 CO 0.50 0.67 0.12 0.61 -1.11 0.00 0.00 177.39 178.18 1uit n GLY 33 N 1.82 -0.63 3.12 -3.96 0.00 -1.26 -1.76 105.19 102.53 1uit n GLY 33 Ca -0.46 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.12 0.14 0.05 -0.61 -4.36 -1.26 0.18 121.20 112.21 1uit s ILE 34 Ca 0.14 -1.12 0.06 0.00 -0.26 0.00 0.00 60.65 59.47 1uit s ILE 34 Cb -0.02 -0.93 -0.03 0.00 1.25 0.00 0.00 42.46 42.72 1uit s ILE 34 CO 0.46 -0.62 -0.14 -0.55 0.24 0.00 0.00 174.94 174.33 1uit s SER 35 N -2.18 4.10 0.04 4.36 0.15 -0.20 -4.94 113.70 115.04 1uit s SER 35 Ca -0.04 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.25 1uit s SER 35 Cb -0.01 -0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 63.52 1uit s SER 35 CO -0.05 0.24 -0.05 0.27 1.20 0.00 0.00 173.24 174.86 1uit s ILE 36 N -1.00 0.32 0.01 6.45 -5.25 -1.26 0.58 121.20 121.05 1uit s ILE 36 Ca 0.17 -1.30 -0.01 0.00 -0.99 0.00 0.00 60.65 58.51 1uit s ILE 36 Cb -0.11 -0.83 -0.01 0.00 2.95 0.00 0.00 42.46 44.46 1uit s ILE 36 CO 0.08 -0.64 0.01 0.68 -1.79 0.00 0.00 174.94 173.27 1uit s VAL 37 N -2.30 0.09 0.00 8.37 -7.23 -0.21 -4.76 120.40 114.36 1uit s VAL 37 Ca -0.05 -0.79 -0.03 0.00 -1.81 0.00 0.00 61.98 59.30 1uit s VAL 37 Cb -0.04 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 1uit s VAL 37 CO -0.03 -0.43 0.19 -0.55 -0.31 0.00 0.00 175.10 173.97 1uit s SER 38 N -1.31 6.38 -0.84 4.85 0.15 -1.26 -1.61 113.70 120.05 1uit s SER 38 Ca -0.14 0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.87 1uit s SER 38 Cb -0.09 -2.00 0.28 0.00 -1.71 0.00 0.00 66.02 62.50 1uit s SER 38 CO -0.00 0.25 1.08 0.61 1.20 0.00 0.00 173.24 176.37 1uit n GLY 39 N 0.86 4.96 2.88 9.45 0.00 -1.23 -4.87 105.19 117.24 1uit n GLY 39 Ca -0.10 -2.72 -0.08 0.00 0.00 0.00 0.00 46.02 43.12 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 1.10 -2.61 -3.65 1.61 0.00 -1.26 -2.71 120.64 113.11 1uit n GLU 40 Ca 0.28 2.23 -0.24 0.00 0.00 0.00 0.00 57.16 59.42 1uit n GLU 40 Cb 0.37 -5.11 -0.04 0.00 0.00 0.00 0.00 31.44 26.66 1uit n GLU 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1uit n LYS 41 N 0.09 -1.77 0.00 5.31 4.01 -1.26 -4.85 118.16 119.68 1uit n LYS 41 Ca 0.06 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 1uit n LYS 41 Cb 0.34 -4.65 0.00 0.00 -0.51 0.00 0.00 35.03 30.21 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1uit n GLY 42 N -0.83 3.29 0.00 0.72 0.00 -1.10 -4.83 105.19 102.43 1uit n GLY 42 Ca 0.06 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 5.00 -1.75 3.07 -0.02 0.00 -1.26 -3.87 105.19 106.36 1uit n GLY 43 Ca 0.00 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.08 1.10 -0.05 -0.61 -1.09 -1.26 -3.51 121.20 115.70 1uit s ILE 44 Ca 0.00 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.91 1uit s ILE 44 Cb 0.00 -0.96 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 1uit s ILE 44 CO 0.00 0.33 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.58 1uit s TYR 45 N 0.09 1.58 0.19 3.97 1.51 -0.63 -1.60 117.35 122.46 1uit s TYR 45 Ca -0.03 -0.51 -0.32 0.00 -1.01 0.00 0.00 57.07 55.20 1uit s TYR 45 Cb -0.10 -1.10 -0.11 0.00 -0.11 0.00 0.00 41.96 40.54 1uit s TYR 45 CO 0.01 -0.21 1.72 0.08 -1.11 0.00 0.00 175.55 176.04 1uit s VAL 46 N 0.30 2.20 -0.74 0.71 1.01 -1.24 -1.04 120.40 121.60 1uit s VAL 46 Ca -0.09 0.09 0.19 0.00 0.00 0.00 0.00 61.98 62.17 1uit s VAL 46 Cb -0.13 -3.06 -0.22 0.00 0.00 0.00 0.00 36.38 32.98 1uit s VAL 46 CO 0.03 0.01 0.73 -0.24 0.00 0.00 0.00 175.10 175.63 1uit n SER 47 N 4.30 0.84 0.00 3.32 2.88 0.20 -3.33 113.62 121.83 1uit n SER 47 Ca 0.16 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.91 1uit n SER 47 Cb 0.36 1.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 1uit n SER 47 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1uit n LYS 48 N -1.55 -1.29 -3.23 -1.46 4.81 -1.20 -4.87 118.16 109.37 1uit n LYS 48 Ca 0.02 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.44 1uit n LYS 48 Cb 0.32 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.34 1uit n LYS 48 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1uit s VAL 49 N -2.00 -0.81 0.52 3.15 0.11 -1.26 -1.03 120.40 119.08 1uit s VAL 49 Ca 0.00 -0.15 -0.18 0.00 -2.93 0.00 0.00 61.98 58.72 1uit s VAL 49 Cb 0.00 -0.99 -0.14 0.00 -1.53 0.00 0.00 36.38 33.72 1uit s VAL 49 CO 0.00 -0.14 0.02 0.41 -3.33 0.00 0.00 175.10 172.06 1uit n THR 50 N 5.39 0.52 -3.77 5.04 -1.04 0.48 -4.79 114.28 116.11 1uit n THR 50 Ca 0.03 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.17 1uit n THR 50 Cb 0.52 -0.16 -0.06 0.00 -1.82 0.00 0.00 70.33 68.81 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 -1.94 5.40 0.00 12.58 0.11 -1.26 -3.67 120.40 131.62 1uit s VAL 51 Ca 0.60 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1uit s VAL 51 Cb -0.48 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 30.89 1uit s VAL 51 CO 0.63 0.58 0.00 0.61 -3.33 0.00 0.00 175.10 173.59 1uit n GLY 52 N 2.21 3.18 3.83 6.54 0.00 -1.26 -5.01 105.19 114.68 1uit n GLY 52 Ca -0.18 0.00 -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 -0.45 0.00 0.00 0.00 173.32 172.87 1uit s SER 53 N -0.95 5.01 0.18 1.61 0.15 -1.26 -4.78 113.70 113.66 1uit s SER 53 Ca 0.00 1.31 -0.26 0.00 0.70 0.00 0.00 55.95 57.70 1uit s SER 53 Cb 0.00 -2.11 0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1uit s SER 53 CO 0.00 -1.64 1.54 0.40 1.20 0.00 0.00 173.24 174.74 1uit h ILE 54 N -0.86 0.00 -0.16 6.45 1.08 -1.64 -0.01 117.51 122.37 1uit h ILE 54 Ca -0.46 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.03 1uit h ILE 54 Cb 1.25 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1uit h ILE 54 CO 0.60 0.00 -0.10 0.00 -0.69 0.00 0.00 178.15 177.97 1uit n ALA 55 N -3.32 -0.10 -0.35 1.87 0.00 -0.72 0.56 120.51 118.45 1uit n ALA 55 Ca 0.05 0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.66 1uit n ALA 55 Cb 0.31 0.36 0.10 0.00 0.00 0.00 0.00 19.45 20.22 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 -3.32 0.23 -0.19 0.00 -0.00 -0.10 0.19 115.22 112.03 1uit n HIS 56 Ca 0.00 1.16 -0.02 0.00 -0.00 0.00 0.00 57.72 58.86 1uit n HIS 56 Cb 0.04 -0.98 0.08 0.00 -0.00 0.00 0.00 29.99 29.13 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 0.48 -0.44 1.57 4.20 0.10 0.30 115.11 121.31 1uit h GLN 57 Ca 0.41 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.10 1uit h GLN 57 Cb 0.65 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1uit h GLN 57 CO -0.96 0.32 0.29 0.00 -0.67 0.00 0.00 178.83 177.80 1uit h ALA 58 N 1.33 1.67 -0.07 3.87 0.00 0.65 -3.46 119.26 123.25 1uit h ALA 58 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uit h ALA 58 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uit h ALA 58 CO -0.21 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1uit n GLY 59 N -1.45 0.83 3.85 0.00 0.00 0.90 -4.83 105.19 104.50 1uit n GLY 59 Ca 0.04 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.07 4.05 0.18 0.99 1.43 -1.18 -5.02 118.68 119.05 1uit s LEU 60 Ca 0.00 1.23 -0.07 0.00 -1.03 0.00 0.00 54.13 54.26 1uit s LEU 60 Cb 0.00 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 1uit s LEU 60 CO 0.00 -0.22 0.25 -1.83 0.23 0.00 0.00 176.35 174.79 1uit s GLU 61 N -3.07 1.18 0.54 1.70 -1.05 -1.26 -4.76 118.70 111.98 1uit s GLU 61 Ca 0.53 -1.29 -0.16 0.00 -0.15 0.00 0.00 54.97 53.90 1uit s GLU 61 Cb -0.10 0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 33.88 1uit s GLU 61 CO 0.19 -0.42 1.01 -0.47 0.95 0.00 0.00 175.26 176.52 1uit s TYR 62 N -4.01 3.27 0.00 4.83 6.14 -1.26 -3.54 117.35 122.77 1uit s TYR 62 Ca 0.22 1.49 0.00 0.00 0.64 0.00 0.00 57.07 59.41 1uit s TYR 62 Cb 0.04 -2.88 0.00 0.00 0.42 0.00 0.00 41.96 39.54 1uit s TYR 62 CO 0.03 -0.66 0.00 0.41 0.64 0.00 0.00 175.55 175.97 1uit n GLY 63 N -1.33 3.14 3.55 8.97 0.00 -1.21 -4.96 105.19 113.34 1uit n GLY 63 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.80 5.44 -0.01 1.61 1.11 -1.23 -3.41 116.67 119.38 1uit s ASP 64 Ca 0.00 -0.01 -0.30 0.00 0.18 0.00 0.00 52.55 52.42 1uit s ASP 64 Cb 0.00 -2.54 -0.07 0.00 1.07 0.00 0.00 42.92 41.38 1uit s ASP 64 CO 0.00 -2.31 1.68 -1.58 1.18 0.00 0.00 175.17 174.14 1uit s GLN 65 N 6.75 4.19 -0.03 8.23 0.74 -1.25 -3.71 119.66 134.57 1uit s GLN 65 Ca 0.62 2.26 -0.30 0.00 0.05 0.00 0.00 55.36 57.99 1uit s GLN 65 Cb -0.10 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.09 1uit s GLN 65 CO 0.15 -0.82 1.01 -0.51 -0.55 0.00 0.00 175.29 174.58 1uit s LEU 66 N 3.66 4.32 -0.15 3.68 1.43 -0.63 -1.44 118.68 129.56 1uit s LEU 66 Ca 0.75 1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 55.34 1uit s LEU 66 Cb -0.36 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.24 1uit s LEU 66 CO 0.31 -0.35 -0.31 0.18 0.23 0.00 0.00 176.35 176.41 1uit n LEU 67 N 4.33 1.78 -4.08 1.79 4.77 -0.40 -4.20 117.00 120.99 1uit n LEU 67 Ca 0.07 0.30 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 1uit n LEU 67 Cb 0.50 -0.70 -0.13 0.00 -2.33 0.00 0.00 43.42 40.75 1uit n LEU 67 CO 0.52 -0.31 -0.44 -1.61 -1.33 0.00 0.00 177.39 174.22 1uit s GLU 68 N -2.75 0.76 -0.26 3.23 2.02 -1.09 -0.38 118.70 120.24 1uit s GLU 68 Ca -0.26 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 54.15 1uit s GLU 68 Cb 0.04 -0.71 0.06 0.00 0.10 0.00 0.00 34.13 33.61 1uit s GLU 68 CO 0.38 0.18 -0.09 0.12 0.02 0.00 0.00 175.26 175.87 1uit s PHE 69 N -0.74 3.25 -0.95 1.61 2.19 0.40 -0.08 117.98 123.66 1uit s PHE 69 Ca -0.00 -2.21 0.00 0.00 0.33 0.00 0.00 56.93 55.05 1uit s PHE 69 Cb -0.07 -1.96 0.00 0.00 -1.31 0.00 0.00 43.02 39.68 1uit s PHE 69 CO 0.01 -0.86 0.00 -1.71 1.83 0.00 0.00 175.22 174.48 1uit n ASN 70 N 4.48 -2.80 0.00 6.13 2.85 0.20 0.17 115.26 126.28 1uit n ASN 70 Ca -0.14 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 1uit n ASN 70 Cb 0.43 -2.62 0.00 0.00 1.24 0.00 0.00 39.78 38.83 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 -0.39 1.79 3.64 8.20 0.00 -1.26 -4.91 105.19 112.25 1uit n GLY 71 Ca -0.10 -0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.07 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 0.60 -2.22 -0.61 5.41 0.44 -4.85 119.36 118.13 1uit n ILE 72 Ca 0.00 -0.23 -0.34 0.00 1.00 0.00 0.00 62.75 63.18 1uit n ILE 72 Cb 0.00 -2.29 -0.04 0.00 -0.71 0.00 0.00 39.64 36.60 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 5.63 5.59 0.26 4.38 3.84 -1.26 0.15 114.94 133.52 1uit s ASN 73 Ca 0.94 -0.60 -0.04 0.00 0.21 0.00 0.00 52.86 53.37 1uit s ASN 73 Cb -0.47 -2.56 0.36 0.00 -0.55 0.00 0.00 41.25 38.03 1uit s ASN 73 CO 0.42 -2.29 1.89 -0.07 -2.79 0.00 0.00 177.10 174.26 1uit h LEU 74 N 15.88 1.04 -9.03 3.21 3.38 -1.03 -3.40 115.31 125.36 1uit h LEU 74 Ca -0.00 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.18 1uit h LEU 74 Cb 1.05 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 41.62 1uit h LEU 74 CO 1.27 0.69 0.21 0.54 0.09 0.00 0.00 178.44 181.23 1uit n ARG 75 N -4.49 0.12 0.00 1.13 5.12 -0.90 0.15 116.66 117.79 1uit n ARG 75 Ca 0.14 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 1uit n ARG 75 Cb 0.14 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 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 2.05 0.00 -3.83 0.55 2.88 -1.25 -4.99 113.62 109.02 1uit n SER 76 Ca 0.22 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.53 1uit n SER 76 Cb 0.07 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.66 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uit n ALA 77 N 0.00 -1.94 -2.87 -1.46 0.00 0.40 -4.62 120.51 110.02 1uit n ALA 77 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1uit n ALA 77 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1uit n ALA 77 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1uit n THR 78 N -4.25 0.00 0.03 0.00 -2.24 -1.26 -4.55 114.28 102.02 1uit n THR 78 Ca 0.03 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.61 1uit n THR 78 Cb 0.45 -0.25 -0.14 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.29 -0.69 -0.78 4.11 -1.91 -2.90 114.58 112.70 1uit h GLU 79 Ca 0.00 -0.50 -0.08 0.00 0.07 0.00 0.00 59.36 58.86 1uit h GLU 79 Cb 0.00 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1uit h GLU 79 CO 0.00 1.19 0.14 -0.56 0.07 0.00 0.00 179.01 179.85 1uit h GLN 80 N 0.08 1.13 -0.28 1.06 3.07 -1.97 0.35 115.11 118.56 1uit h GLN 80 Ca -0.37 -0.29 -0.16 0.00 0.09 0.00 0.00 58.65 57.92 1uit h GLN 80 Cb 2.06 -0.14 -0.00 0.00 0.08 0.00 0.00 27.48 29.48 1uit h GLN 80 CO 0.13 1.01 -0.47 1.96 0.09 0.00 0.00 178.83 181.55 1uit h GLN 81 N 1.06 0.80 -0.54 0.06 7.50 -1.98 -2.89 115.11 119.12 1uit h GLN 81 Ca 0.21 -0.50 -0.10 0.00 0.50 0.00 0.00 58.65 58.77 1uit h GLN 81 Cb 0.41 0.05 -0.02 0.00 0.05 0.00 0.00 27.48 27.98 1uit h GLN 81 CO 0.01 1.13 -0.06 0.00 -1.50 0.00 0.00 178.83 178.41 1uit h ALA 82 N 0.67 0.87 0.00 3.87 0.00 -1.29 0.11 119.26 123.48 1uit h ALA 82 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uit h ALA 82 Cb 1.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1uit h ALA 82 CO 0.11 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.55 1uit n ARG 83 N -4.16 0.00 -0.11 0.00 1.74 0.12 -1.39 116.66 112.86 1uit n ARG 83 Ca 0.02 0.35 -0.19 0.00 -0.77 0.00 0.00 57.85 57.26 1uit n ARG 83 Cb 0.37 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.49 1.89 -0.21 0.55 -0.00 -0.54 -3.40 117.00 113.80 1uit n LEU 84 Ca 0.02 0.32 0.02 0.00 -0.00 0.00 0.00 56.01 56.37 1uit n LEU 84 Cb 0.10 -0.75 0.12 0.00 -0.00 0.00 0.00 43.42 42.88 1uit n LEU 84 CO 0.08 0.13 0.85 0.40 -0.00 0.00 0.00 177.39 178.85 1uit h ILE 85 N -0.96 0.49 -0.15 1.47 2.04 -0.69 0.51 117.51 120.22 1uit h ILE 85 Ca -0.33 -0.05 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 1uit h ILE 85 Cb 1.27 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1uit h ILE 85 CO -0.20 0.03 -0.39 0.16 0.00 0.00 0.00 178.15 177.74 1uit h ILE 86 N 0.14 1.30 -0.61 -0.67 3.07 -1.46 -2.88 117.51 116.41 1uit h ILE 86 Ca 0.34 -1.50 -0.39 0.00 1.55 0.00 0.00 64.86 64.85 1uit h ILE 86 Cb 0.56 1.62 -0.16 0.00 -0.27 0.00 0.00 36.82 38.56 1uit h ILE 86 CO -0.53 0.46 0.49 0.61 -1.05 0.00 0.00 178.15 178.13 1uit n GLY 87 N -0.17 4.40 1.34 0.16 0.00 0.17 -4.74 105.19 106.35 1uit n GLY 87 Ca -0.01 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.57 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 1.07 -4.22 1.61 6.02 -0.59 -4.87 117.38 116.61 1uit n GLN 88 Ca 0.37 -1.16 -0.32 0.00 -0.01 0.00 0.00 57.00 55.88 1uit n GLN 88 Cb 0.58 0.04 -0.08 0.00 1.02 0.00 0.00 30.24 31.81 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 -2.84 2.74 0.00 -1.09 1.03 -1.26 -5.03 119.66 113.21 1uit s GLN 89 Ca 0.15 -0.67 0.00 0.00 0.04 0.00 0.00 55.36 54.88 1uit s GLN 89 Cb -0.01 -2.65 0.00 0.00 0.03 0.00 0.00 33.01 30.38 1uit s GLN 89 CO 0.10 0.60 0.00 0.00 -2.54 0.00 0.00 175.29 173.44 1uit h ASP 91 N 0.00 -0.66 -3.31 0.00 3.32 -1.95 -3.36 116.42 110.46 1uit h ASP 91 Ca 0.00 0.28 -0.46 0.00 0.02 0.00 0.00 57.03 56.87 1uit h ASP 91 Cb 0.00 0.53 -0.36 0.00 0.22 0.00 0.00 39.33 39.72 1uit h ASP 91 CO 0.00 -0.33 -0.78 -0.89 -1.72 0.00 0.00 179.24 175.52 1uit s THR 92 N -6.13 0.66 0.05 0.35 2.01 -1.26 0.14 115.64 111.46 1uit s THR 92 Ca -0.14 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.81 1uit s THR 92 Cb 0.27 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1uit s THR 92 CO 0.78 0.29 -0.15 -0.51 -0.69 0.00 0.00 174.62 174.33 1uit s ILE 93 N 1.47 1.21 0.23 1.82 -1.16 -0.77 -4.96 121.20 119.04 1uit s ILE 93 Ca -0.02 -1.10 0.06 0.00 -0.51 0.00 0.00 60.65 59.08 1uit s ILE 93 Cb -0.13 -1.10 -0.03 0.00 0.61 0.00 0.00 42.46 41.80 1uit s ILE 93 CO -0.04 -0.01 0.26 -0.89 -2.81 0.00 0.00 174.94 171.46 1uit s THR 94 N -0.92 4.84 -0.00 4.00 2.01 -1.26 0.36 115.64 124.67 1uit s THR 94 Ca 0.02 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1uit s THR 94 Cb -0.08 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 1uit s THR 94 CO 0.02 -0.29 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.01 1uit s ILE 95 N -2.00 0.10 -0.63 1.82 1.01 0.87 0.59 121.20 122.96 1uit s ILE 95 Ca 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 1uit s ILE 95 Cb -0.09 -0.10 0.16 0.00 0.01 0.00 0.00 42.46 42.45 1uit s ILE 95 CO 0.27 0.03 0.43 -0.22 0.00 0.00 0.00 174.94 175.45 1uit s LEU 96 N -0.00 5.01 0.44 2.97 2.96 0.88 0.11 118.68 131.05 1uit s LEU 96 Ca 0.00 -3.04 0.04 0.00 -0.22 0.00 0.00 54.13 50.91 1uit s LEU 96 Cb -0.01 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1uit s LEU 96 CO -0.00 -0.30 0.63 0.00 -1.32 0.00 0.00 176.35 175.36 1uit s ALA 97 N -0.33 4.09 -0.40 5.97 0.00 -0.85 -1.28 121.76 128.96 1uit s ALA 97 Ca 0.18 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1uit s ALA 97 Cb -0.20 -1.89 0.17 0.00 0.00 0.00 0.00 23.12 21.20 1uit s ALA 97 CO -0.04 -0.37 0.48 -1.14 0.00 0.00 0.00 175.76 174.69 1uit s GLN 98 N -4.47 0.77 -0.43 0.00 0.74 -0.52 -0.63 119.66 115.12 1uit s GLN 98 Ca 0.51 -0.87 -0.38 0.00 0.05 0.00 0.00 55.36 54.67 1uit s GLN 98 Cb -0.10 -0.51 -0.16 0.00 1.10 0.00 0.00 33.01 33.34 1uit s GLN 98 CO 0.35 -1.23 1.76 0.98 -0.55 0.00 0.00 175.29 176.60 1uit n TYR 99 N 3.98 1.06 -4.07 1.67 4.19 -1.26 -3.77 117.16 118.96 1uit n TYR 99 Ca 0.14 0.70 -0.32 0.00 3.31 0.00 0.00 57.90 61.73 1uit n TYR 99 Cb 0.49 -1.95 -0.15 0.00 0.49 0.00 0.00 39.34 38.23 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 4.77 4.26 0.00 2.98 3.84 -1.22 -3.83 114.94 125.73 1uit s ASN 100 Ca 1.01 -1.26 0.00 0.00 0.21 0.00 0.00 52.86 52.81 1uit s ASN 100 Cb -1.28 -1.55 0.00 0.00 -0.55 0.00 0.00 41.25 37.87 1uit s ASN 100 CO 0.58 -0.16 0.00 -0.81 -2.79 0.00 0.00 177.10 173.92 1uit n PRO 101 N 4.47 2.34 -1.86 0.43 -0.04 -1.26 -4.39 135.00 134.69 1uit n PRO 101 Ca -0.15 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 1uit n PRO 101 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.06 -0.85 -3.99 0.54 8.25 -1.26 -4.90 115.22 112.96 1uit n HIS 102 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1uit n HIS 102 Cb 0.00 -2.67 -0.16 0.00 1.12 0.00 0.00 29.99 28.28 1uit n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uit s VAL 103 N -2.34 1.61 0.28 1.59 1.01 -1.26 -5.10 120.40 116.18 1uit s VAL 103 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 1uit s VAL 103 Cb 0.00 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1uit s VAL 103 CO 0.00 0.15 0.47 -2.28 0.00 0.00 0.00 175.10 173.44 1uit s HIS 104 N 1.41 0.64 0.49 5.22 2.46 -1.26 -5.02 115.29 119.24 1uit s HIS 104 Ca -0.01 -0.97 0.00 0.00 0.47 0.00 0.00 55.06 54.54 1uit s HIS 104 Cb -0.16 0.07 0.00 0.00 -0.13 0.00 0.00 32.58 32.36 1uit s HIS 104 CO -0.08 -1.04 0.00 0.94 -2.47 0.00 0.00 174.74 172.09 1uit n GLN 105 N -0.44 -4.16 0.03 2.88 7.27 -1.26 -5.05 117.38 116.65 1uit n GLN 105 Ca -0.01 3.12 0.00 0.00 0.07 0.00 0.00 57.00 60.18 1uit n GLN 105 Cb 0.62 -3.56 0.00 0.00 2.41 0.00 0.00 30.24 29.71 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 -1.13 0.04 -3.79 1.69 0.00 -1.26 -5.12 117.00 107.43 1uit n LEU 106 Ca 0.00 0.11 -0.13 0.00 0.00 0.00 0.00 56.01 55.99 1uit n LEU 106 Cb 0.06 0.06 -0.14 0.00 0.00 0.00 0.00 43.42 43.41 1uit n LEU 106 CO 0.00 -0.58 -0.24 -0.55 0.00 0.00 0.00 177.39 176.02 1uit s SER 107 N -4.51 -0.10 0.78 1.96 0.15 -1.26 -5.16 113.70 105.56 1uit s SER 107 Ca 0.00 0.24 -0.12 0.00 0.70 0.00 0.00 55.95 56.77 1uit s SER 107 Cb 0.00 0.18 0.06 0.00 -1.71 0.00 0.00 66.02 64.55 1uit s SER 107 CO 0.00 -0.09 1.11 -0.94 1.20 0.00 0.00 173.24 174.52 1uit s SER 108 N 0.62 4.73 -0.41 5.45 1.04 -1.26 -4.50 113.70 119.37 1uit s SER 108 Ca -0.05 1.15 -0.25 0.00 0.48 0.00 0.00 55.95 57.29 1uit s SER 108 Cb -0.06 -1.87 0.04 0.00 0.10 0.00 0.00 66.02 64.23 1uit s SER 108 CO -0.03 -1.80 0.57 1.57 0.98 0.00 0.00 173.24 174.53 1uit n HIS 109 N -3.31 -3.00 -4.85 5.02 -0.00 -1.26 -4.99 115.22 102.83 1uit n HIS 109 Ca 0.07 1.24 -0.33 0.00 -0.00 0.00 0.00 57.72 58.70 1uit n HIS 109 Cb 0.57 -2.92 -0.13 0.00 -0.00 0.00 0.00 29.99 27.51 1uit n HIS 109 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1uit s SER 110 N -1.98 4.05 0.20 0.26 0.15 -1.26 -5.13 113.70 109.99 1uit s SER 110 Ca 0.28 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.81 1uit s SER 110 Cb -0.05 -0.85 -0.05 0.00 -1.71 0.00 0.00 66.02 63.37 1uit s SER 110 CO 0.78 0.34 -0.15 0.00 1.20 0.00 0.00 173.24 175.41 1uit s ARG 111 N -0.82 1.32 0.33 5.44 1.70 -1.26 -5.15 118.95 120.51 1uit s ARG 111 Ca 0.12 -1.56 -0.18 0.00 -0.47 0.00 0.00 55.73 53.64 1uit s ARG 111 Cb -0.11 -1.17 0.04 0.00 -0.57 0.00 0.00 34.95 33.14 1uit s ARG 111 CO 0.01 0.20 0.74 -1.12 -1.08 0.00 0.00 175.30 174.05 1uit s SER 112 N -3.20 -0.10 0.00 -2.89 0.01 -1.26 -5.18 113.70 101.08 1uit s SER 112 Ca 0.21 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1uit s SER 112 Cb -0.02 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1uit s SER 112 CO 0.07 -1.51 0.00 0.61 0.41 0.00 0.00 173.24 172.82 1uit n GLY 113 N -0.49 1.67 3.57 3.44 0.00 -1.26 -4.93 105.19 107.18 1uit n GLY 113 Ca -0.06 -1.48 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 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 4.60 3.19 0.37 1.61 0.04 -1.26 -4.93 135.00 138.63 1uit s PRO 114 Ca 0.00 -1.21 0.08 0.00 0.04 0.00 0.00 61.00 59.91 1uit s PRO 114 Cb 0.00 -5.32 -0.05 0.00 0.04 0.00 0.00 34.50 29.17 1uit s PRO 114 CO 0.00 -2.96 0.12 0.45 0.04 0.00 0.00 177.00 174.65 1uit s SER 115 N 5.82 4.42 0.25 6.66 0.15 -1.26 -5.13 113.70 124.61 1uit s SER 115 Ca 0.59 -0.97 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 1uit s SER 115 Cb -0.00 -0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 63.66 1uit s SER 115 CO 0.03 -0.38 0.66 -0.55 1.20 0.00 0.00 173.24 174.21 1uit s SER 116 N -3.83 6.83 0.00 5.45 0.15 -1.26 -5.22 113.70 115.82 1uit s SER 116 Ca 0.38 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.24 1uit s SER 116 Cb 0.01 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1uit s SER 116 CO 0.22 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.20