#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uit n SER 2 N 0.00 -6.09 -3.67 1.61 7.64 -1.26 -5.01 113.62 106.85 1uit n SER 2 Ca 0.00 0.05 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 1uit n SER 2 Cb 0.00 -2.41 -0.08 0.00 -1.01 0.00 0.00 64.21 60.70 1uit n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1uit s SER 3 N -1.64 -0.66 -0.38 6.43 0.15 -1.26 -5.11 113.70 111.23 1uit s SER 3 Ca 0.32 1.19 -0.40 0.00 0.70 0.00 0.00 55.95 57.77 1uit s SER 3 Cb -0.04 1.16 -0.15 0.00 -1.71 0.00 0.00 66.02 65.27 1uit s SER 3 CO 0.79 -0.21 2.00 0.61 1.20 0.00 0.00 173.24 177.63 1uit n GLY 4 N 3.32 0.40 3.36 9.45 0.00 -1.26 -4.85 105.19 115.60 1uit n GLY 4 Ca -0.16 0.99 -0.46 0.00 0.00 0.00 0.00 46.02 46.39 1uit n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uit s SER 5 N 5.48 6.97 -0.07 1.61 0.01 -1.26 -4.97 113.70 121.48 1uit s SER 5 Ca 1.09 -2.95 -0.17 0.00 1.31 0.00 0.00 55.95 55.22 1uit s SER 5 Cb -1.15 -2.25 0.04 0.00 0.21 0.00 0.00 66.02 62.86 1uit s SER 5 CO 0.62 -0.55 0.40 -0.44 0.41 0.00 0.00 173.24 173.68 1uit s SER 6 N 2.12 -0.35 0.33 2.44 0.01 -1.26 -5.14 113.70 111.86 1uit s SER 6 Ca 0.27 0.45 -0.20 0.00 1.31 0.00 0.00 55.95 57.77 1uit s SER 6 Cb -0.09 0.54 -0.14 0.00 0.21 0.00 0.00 66.02 66.54 1uit s SER 6 CO -0.08 -0.37 0.15 0.61 0.41 0.00 0.00 173.24 173.96 1uit n GLY 7 N 1.77 -2.31 0.00 3.44 0.00 -1.26 -4.94 105.19 101.88 1uit n GLY 7 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 2.05 0.19 3.24 -0.02 0.00 -1.26 -5.14 105.19 104.26 1uit n GLY 8 Ca 0.11 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 3.19 0.25 1.61 2.56 -1.26 -5.10 118.70 117.95 1uit s GLU 9 Ca 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 54.97 54.16 1uit s GLU 9 Cb 0.00 -2.66 -0.02 0.00 2.00 0.00 0.00 34.13 33.45 1uit s GLU 9 CO 0.00 -0.05 0.34 1.03 -0.56 0.00 0.00 175.26 176.02 1uit s ARG 10 N 0.97 1.48 0.32 4.30 0.52 -1.26 -5.18 118.95 120.10 1uit s ARG 10 Ca -0.02 -1.49 0.08 0.00 -0.52 0.00 0.00 55.73 53.77 1uit s ARG 10 Cb -0.15 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 1uit s ARG 10 CO -0.03 -0.57 0.18 -0.98 0.02 0.00 0.00 175.30 173.92 1uit s ARG 11 N -3.91 2.55 -0.15 3.54 1.70 -1.26 -5.12 118.95 116.31 1uit s ARG 11 Ca 0.30 -1.38 -0.02 0.00 -0.47 0.00 0.00 55.73 54.17 1uit s ARG 11 Cb 0.02 -2.32 -0.02 0.00 -0.57 0.00 0.00 34.95 32.06 1uit s ARG 11 CO 0.12 0.18 -0.09 0.21 -1.08 0.00 0.00 175.30 174.65 1uit s LYS 12 N -3.87 3.50 0.30 3.89 2.47 -1.26 -5.11 119.74 119.66 1uit s LYS 12 Ca 0.37 -0.61 0.04 0.00 -1.56 0.00 0.00 55.97 54.21 1uit s LYS 12 Cb -0.05 -2.77 0.04 0.00 -1.46 0.00 0.00 37.83 33.59 1uit s LYS 12 CO 0.24 0.19 0.33 -3.47 0.16 0.00 0.00 175.35 172.80 1uit n ASP 13 N 3.62 1.50 -3.98 1.43 -0.08 -1.26 -5.08 116.55 112.71 1uit n ASP 13 Ca -0.18 -1.90 -0.31 0.00 -1.51 0.00 0.00 54.79 50.88 1uit n ASP 13 Cb 0.52 -0.13 -0.11 0.00 2.34 0.00 0.00 41.12 43.75 1uit n ASP 13 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1uit s ARG 14 N -3.30 2.59 0.00 -0.67 0.52 -1.26 -4.81 118.95 112.02 1uit s ARG 14 Ca 0.25 -3.13 0.24 0.00 -0.52 0.00 0.00 55.73 52.57 1uit s ARG 14 Cb -0.02 -3.57 1.42 0.00 0.52 0.00 0.00 34.95 33.30 1uit s ARG 14 CO 0.16 -1.24 1.80 -0.35 0.02 0.00 0.00 175.30 175.69 1uit n PRO 15 N 2.41 0.72 0.01 3.54 -0.04 -1.26 -4.32 135.00 136.07 1uit n PRO 15 Ca 0.16 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1uit n PRO 15 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1uit n PRO 15 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1uit n TYR 16 N -1.02 -1.76 -3.70 0.54 4.11 -1.26 -5.16 117.16 108.90 1uit n TYR 16 Ca 0.18 0.09 -0.02 0.00 -0.00 0.00 0.00 57.90 58.15 1uit n TYR 16 Cb 0.09 0.67 -0.01 0.00 -0.00 0.00 0.00 39.34 40.09 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 -2.00 0.00 -0.28 -3.48 0.11 -1.26 -5.05 120.40 108.44 1uit s VAL 17 Ca 0.00 -0.49 -0.28 0.00 -2.93 0.00 0.00 61.98 58.28 1uit s VAL 17 Cb 0.00 -1.98 -0.06 0.00 -1.53 0.00 0.00 36.38 32.81 1uit s VAL 17 CO 0.00 0.00 2.26 -0.62 -3.33 0.00 0.00 175.10 173.41 1uit n GLU 18 N -0.47 1.74 -0.96 1.54 1.02 -1.24 -4.71 120.64 117.56 1uit n GLU 18 Ca -0.07 0.42 -0.32 0.00 -0.02 0.00 0.00 57.16 57.17 1uit n GLU 18 Cb 0.61 -3.23 0.02 0.00 -0.02 0.00 0.00 31.44 28.83 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 8.78 0.00 -2.54 3.49 1.02 -1.26 -4.26 120.64 125.86 1uit n GLU 19 Ca 0.32 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 57.11 1uit n GLU 19 Cb 0.45 -0.85 -0.04 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.25 3.89 0.24 3.49 0.04 -1.26 -4.64 135.00 135.52 1uit s PRO 20 Ca 0.42 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.92 1uit s PRO 20 Cb -0.30 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1uit s PRO 20 CO 0.63 -0.36 -0.05 -0.98 0.04 0.00 0.00 177.00 176.28 1uit s ARG 21 N -3.04 1.41 -0.39 4.56 3.03 -0.09 -4.99 118.95 119.44 1uit s ARG 21 Ca 0.65 -1.70 -0.01 0.00 2.03 0.00 0.00 55.73 56.70 1uit s ARG 21 Cb -0.18 -0.93 0.11 0.00 -1.03 0.00 0.00 34.95 32.92 1uit s ARG 21 CO 0.22 0.01 0.16 -1.01 -1.13 0.00 0.00 175.30 173.56 1uit s HIS 22 N -3.17 3.64 -0.20 5.89 3.76 -1.26 -1.88 115.29 122.07 1uit s HIS 22 Ca 0.27 -2.60 -0.19 0.00 -0.15 0.00 0.00 55.06 52.39 1uit s HIS 22 Cb 0.04 -3.14 -0.03 0.00 1.11 0.00 0.00 32.58 30.56 1uit s HIS 22 CO 0.09 -0.96 0.54 0.08 -0.85 0.00 0.00 174.74 173.64 1uit s VAL 23 N 1.04 5.09 0.36 -0.90 1.01 0.34 -4.86 120.40 122.48 1uit s VAL 23 Ca 0.09 0.99 -0.11 0.00 0.00 0.00 0.00 61.98 62.95 1uit s VAL 23 Cb -0.22 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 1uit s VAL 23 CO -0.05 0.16 0.73 -0.54 0.00 0.00 0.00 175.10 175.40 1uit s LYS 24 N 1.74 3.84 -0.04 2.72 1.02 -1.26 0.15 119.74 127.91 1uit s LYS 24 Ca 0.25 0.49 0.01 0.00 0.02 0.00 0.00 55.97 56.74 1uit s LYS 24 Cb -0.15 -2.44 0.02 0.00 -0.52 0.00 0.00 37.83 34.74 1uit s LYS 24 CO 0.10 0.06 -0.06 0.08 -0.92 0.00 0.00 175.35 174.61 1uit s VAL 25 N -2.20 0.62 -0.90 3.17 1.01 0.18 -4.71 120.40 117.57 1uit s VAL 25 Ca 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.29 1uit s VAL 25 Cb -0.10 -0.61 0.28 0.00 0.00 0.00 0.00 36.38 35.95 1uit s VAL 25 CO 0.26 0.23 1.12 0.00 0.00 0.00 0.00 175.10 176.71 1uit n GLN 26 N 3.80 3.52 0.00 2.72 6.02 -1.26 -1.53 117.38 130.65 1uit n GLN 26 Ca -0.23 -4.59 0.00 0.00 -0.01 0.00 0.00 57.00 52.17 1uit n GLN 26 Cb 0.52 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 29.37 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 1.32 0.00 0.00 -1.09 4.76 0.49 -4.83 118.16 118.82 1uit n LYS 27 Ca 0.27 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1uit n LYS 27 Cb 0.37 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 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 -0.92 1.78 1.52 0.72 0.00 0.24 -3.47 105.19 105.05 1uit n GLY 28 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 3.68 -0.85 -3.83 1.61 7.64 -1.26 -4.62 113.62 115.99 1uit n SER 29 Ca 0.00 -1.61 -0.11 0.00 1.01 0.00 0.00 58.87 58.16 1uit n SER 29 Cb 0.00 0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.04 0.68 1.04 1.43 8.01 -1.23 -5.17 118.70 123.50 1uit s GLU 30 Ca 0.03 -0.53 -0.16 0.00 0.01 0.00 0.00 54.97 54.32 1uit s GLU 30 Cb 0.14 0.29 0.22 0.00 -4.31 0.00 0.00 34.13 30.47 1uit s GLU 30 CO -0.04 -0.19 1.20 -1.25 0.01 0.00 0.00 175.26 174.99 1uit s PRO 31 N -2.25 0.05 -0.09 0.39 0.04 -1.26 -4.68 135.00 127.19 1uit s PRO 31 Ca -0.07 -0.13 -0.19 0.00 0.04 0.00 0.00 61.00 60.64 1uit s PRO 31 Cb -0.02 -1.75 -0.16 0.00 0.04 0.00 0.00 34.50 32.61 1uit s PRO 31 CO -0.02 -2.85 0.64 1.25 0.04 0.00 0.00 177.00 176.05 1uit h LEU 32 N -1.96 -0.07 -2.87 -3.56 5.85 -1.91 -3.28 115.31 107.51 1uit h LEU 32 Ca -0.46 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 57.70 1uit h LEU 32 Cb 1.28 0.02 0.04 0.00 0.37 0.00 0.00 40.66 42.36 1uit h LEU 32 CO 0.42 0.64 -0.16 0.61 -0.34 0.00 0.00 178.44 179.61 1uit n GLY 33 N 1.24 0.53 2.90 3.75 0.00 -1.26 -1.15 105.19 111.20 1uit n GLY 33 Ca -0.07 -0.13 -0.12 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 -3.07 -0.00 0.06 -0.61 -4.36 -1.26 0.61 121.20 112.56 1uit s ILE 34 Ca 0.08 0.01 -0.12 0.00 -0.26 0.00 0.00 60.65 60.36 1uit s ILE 34 Cb -0.01 -0.06 -0.06 0.00 1.25 0.00 0.00 42.46 43.58 1uit s ILE 34 CO 0.14 0.00 0.42 -0.55 0.24 0.00 0.00 174.94 175.19 1uit s SER 35 N 0.07 6.72 0.03 4.36 0.15 0.18 -4.95 113.70 120.25 1uit s SER 35 Ca -0.00 0.88 0.02 0.00 0.70 0.00 0.00 55.95 57.55 1uit s SER 35 Cb -0.01 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 62.07 1uit s SER 35 CO -0.00 0.21 -0.07 0.27 1.20 0.00 0.00 173.24 174.86 1uit s ILE 36 N -1.30 0.47 0.09 6.45 -5.25 -1.26 0.86 121.20 121.26 1uit s ILE 36 Ca 0.30 -0.80 0.08 0.00 -0.99 0.00 0.00 60.65 59.25 1uit s ILE 36 Cb -0.15 -0.50 -0.03 0.00 2.95 0.00 0.00 42.46 44.72 1uit s ILE 36 CO 0.17 -0.23 -0.21 0.68 -1.79 0.00 0.00 174.94 173.55 1uit s VAL 37 N -0.98 1.75 0.01 8.37 -7.23 0.23 -4.78 120.40 117.77 1uit s VAL 37 Ca -0.07 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1uit s VAL 37 Cb -0.07 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1uit s VAL 37 CO 0.00 -0.00 0.16 -0.55 -0.31 0.00 0.00 175.10 174.41 1uit s SER 38 N -1.79 6.20 0.00 4.85 0.15 -1.26 -1.29 113.70 120.55 1uit s SER 38 Ca 0.07 0.27 0.21 0.00 0.70 0.00 0.00 55.95 57.21 1uit s SER 38 Cb -0.10 -1.90 -0.06 0.00 -1.71 0.00 0.00 66.02 62.26 1uit s SER 38 CO 0.04 0.24 1.00 0.61 1.20 0.00 0.00 173.24 176.33 1uit n GLY 39 N 0.82 -0.18 4.12 9.45 0.00 -1.18 -4.97 105.19 113.25 1uit n GLY 39 Ca -0.10 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.35 -3.86 0.00 1.61 2.13 -1.26 -4.29 120.64 114.61 1uit n GLU 40 Ca 0.08 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1uit n GLU 40 Cb 0.41 -5.17 0.00 0.00 0.27 0.00 0.00 31.44 26.95 1uit n GLU 40 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1uit n LYS 41 N -4.47 0.00 0.00 5.31 0.00 -1.26 -5.11 118.16 112.63 1uit n LYS 41 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1uit n LYS 41 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 1uit n LYS 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uit n GLY 42 N -0.56 0.45 0.00 3.14 0.00 -1.26 -5.16 105.19 101.80 1uit n GLY 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 5.30 3.69 -0.02 0.00 -1.26 -4.82 105.19 113.09 1uit n GLY 43 Ca 0.00 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.27 1uit n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uit s ILE 44 N 1.89 4.29 -0.02 -0.61 -1.09 -1.26 -3.10 121.20 121.30 1uit s ILE 44 Ca 0.00 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 1uit s ILE 44 Cb 0.00 -2.86 -0.00 0.00 -1.58 0.00 0.00 42.46 38.02 1uit s ILE 44 CO 0.00 0.48 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.80 1uit s TYR 45 N -1.00 0.84 0.22 3.97 1.51 -0.41 -2.67 117.35 119.80 1uit s TYR 45 Ca 0.17 -0.18 -0.31 0.00 -1.01 0.00 0.00 57.07 55.74 1uit s TYR 45 Cb -0.11 -0.58 -0.10 0.00 -0.11 0.00 0.00 41.96 41.06 1uit s TYR 45 CO 0.07 -0.06 1.49 0.08 -1.11 0.00 0.00 175.55 176.02 1uit s VAL 46 N 0.02 2.64 -0.03 0.71 1.01 -1.22 0.75 120.40 124.27 1uit s VAL 46 Ca -0.00 0.50 0.15 0.00 0.00 0.00 0.00 61.98 62.63 1uit s VAL 46 Cb -0.06 -3.32 -0.23 0.00 0.00 0.00 0.00 36.38 32.77 1uit s VAL 46 CO -0.00 0.06 0.30 -1.54 0.00 0.00 0.00 175.10 173.93 1uit n SER 47 N 2.95 1.61 -3.59 3.32 3.41 0.25 -3.27 113.62 118.30 1uit n SER 47 Ca 0.09 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.73 1uit n SER 47 Cb 0.40 1.61 -0.00 0.00 -0.26 0.00 0.00 64.21 65.95 1uit n SER 47 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1uit s LYS 48 N -2.98 0.23 -0.14 4.33 2.47 -1.14 -4.92 119.74 117.60 1uit s LYS 48 Ca -0.06 -0.13 -0.05 0.00 -1.56 0.00 0.00 55.97 54.18 1uit s LYS 48 Cb 0.09 0.08 0.07 0.00 -1.46 0.00 0.00 37.83 36.61 1uit s LYS 48 CO 0.61 -0.11 0.27 0.54 0.16 0.00 0.00 175.35 176.83 1uit s VAL 49 N -2.25 -0.43 0.27 4.02 0.11 -1.26 0.49 120.40 121.34 1uit s VAL 49 Ca 0.14 0.26 -0.31 0.00 -2.93 0.00 0.00 61.98 59.15 1uit s VAL 49 Cb 0.06 -0.46 -0.13 0.00 -1.53 0.00 0.00 36.38 34.32 1uit s VAL 49 CO -0.05 0.11 1.49 0.41 -3.33 0.00 0.00 175.10 173.73 1uit n THR 50 N 5.35 1.02 -2.88 5.04 -1.04 0.20 -4.90 114.28 117.07 1uit n THR 50 Ca -0.06 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 1uit n THR 50 Cb 0.50 -1.71 -0.04 0.00 -1.82 0.00 0.00 70.33 67.26 1uit n THR 50 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1uit s VAL 51 N -0.06 4.95 0.00 12.58 1.01 -1.26 -3.34 120.40 134.28 1uit s VAL 51 Ca 0.66 1.74 0.00 0.00 0.00 0.00 0.00 61.98 64.38 1uit s VAL 51 Cb -0.57 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 31.63 1uit s VAL 51 CO 0.49 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1uit n GLY 52 N 3.05 3.18 3.72 4.51 0.00 -1.26 -5.02 105.19 113.38 1uit n GLY 52 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1uit n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uit s SER 53 N -0.36 3.35 0.21 1.61 1.04 -1.21 -4.73 113.70 113.61 1uit s SER 53 Ca 0.00 1.39 -0.21 0.00 0.48 0.00 0.00 55.95 57.61 1uit s SER 53 Cb 0.00 -2.07 0.15 0.00 0.10 0.00 0.00 66.02 64.20 1uit s SER 53 CO 0.00 -2.70 1.55 0.40 0.98 0.00 0.00 173.24 173.47 1uit h ILE 54 N -1.59 0.02 -0.30 -1.02 1.08 -1.61 0.35 117.51 114.43 1uit h ILE 54 Ca -0.50 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.99 1uit h ILE 54 Cb 1.29 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.02 1uit h ILE 54 CO 0.56 0.00 -0.19 0.00 -0.69 0.00 0.00 178.15 177.83 1uit h ALA 55 N 1.11 -0.21 -1.00 1.87 0.00 -1.38 1.70 119.26 121.36 1uit h ALA 55 Ca 0.29 0.03 0.36 0.00 0.00 0.00 0.00 54.91 55.60 1uit h ALA 55 Cb 0.55 1.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.26 1uit h ALA 55 CO -0.94 -0.34 0.37 1.25 0.00 0.00 0.00 179.25 179.59 1uit h HIS 56 N -0.01 0.54 -0.21 0.00 -0.00 -1.04 1.71 115.15 116.14 1uit h HIS 56 Ca 0.05 0.05 -0.14 0.00 -0.00 0.00 0.00 60.37 60.33 1uit h HIS 56 Cb 0.14 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 1uit h HIS 56 CO -0.93 -0.44 -0.41 1.96 -0.00 0.00 0.00 177.93 178.10 1uit h GLN 57 N 0.02 0.65 -0.77 5.26 4.20 0.18 -3.07 115.11 121.60 1uit h GLN 57 Ca 0.76 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 59.05 1uit h GLN 57 Cb 1.87 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.67 1uit h GLN 57 CO -0.81 1.03 0.47 0.00 -0.67 0.00 0.00 178.83 178.86 1uit h ALA 58 N 0.61 1.40 0.00 3.87 0.00 1.33 -3.47 119.26 123.00 1uit h ALA 58 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1uit h ALA 58 Cb 1.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1uit h ALA 58 CO 0.09 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1uit n GLY 59 N -1.33 0.79 3.88 0.00 0.00 0.27 -4.80 105.19 103.99 1uit n GLY 59 Ca 0.08 0.00 -0.32 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 4.26 0.27 0.99 1.43 -1.17 -5.04 118.68 119.43 1uit s LEU 60 Ca 0.00 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.86 1uit s LEU 60 Cb 0.00 -3.34 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1uit s LEU 60 CO 0.00 0.05 0.15 -1.83 0.23 0.00 0.00 176.35 174.95 1uit s GLU 61 N -2.50 1.48 0.48 1.70 -1.05 -1.26 -4.75 118.70 112.80 1uit s GLU 61 Ca 0.41 -1.82 -0.13 0.00 -0.15 0.00 0.00 54.97 53.28 1uit s GLU 61 Cb -0.12 -0.02 -0.07 0.00 -0.44 0.00 0.00 34.13 33.48 1uit s GLU 61 CO 0.22 -0.42 0.90 -0.47 0.95 0.00 0.00 175.26 176.44 1uit s TYR 62 N -3.75 3.49 0.00 4.83 6.14 -1.26 -3.72 117.35 123.07 1uit s TYR 62 Ca 0.37 1.24 0.00 0.00 0.64 0.00 0.00 57.07 59.32 1uit s TYR 62 Cb 0.06 -2.62 0.00 0.00 0.42 0.00 0.00 41.96 39.82 1uit s TYR 62 CO 0.16 -0.31 0.00 0.41 0.64 0.00 0.00 175.55 176.46 1uit n GLY 63 N -1.68 2.42 3.59 8.97 0.00 -1.20 -4.98 105.19 112.31 1uit n GLY 63 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 6.54 -0.05 1.61 1.11 -1.24 -3.40 116.67 117.72 1uit s ASP 64 Ca 0.00 0.28 -0.30 0.00 0.18 0.00 0.00 52.55 52.71 1uit s ASP 64 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1uit s ASP 64 CO 0.00 -1.33 1.22 -1.58 1.18 0.00 0.00 175.17 174.66 1uit s GLN 65 N 4.60 4.35 -0.33 8.23 0.74 -1.25 -3.43 119.66 132.57 1uit s GLN 65 Ca 0.45 1.70 -0.25 0.00 0.05 0.00 0.00 55.36 57.31 1uit s GLN 65 Cb -0.08 -3.55 0.01 0.00 1.10 0.00 0.00 33.01 30.49 1uit s GLN 65 CO 0.29 -0.45 0.86 -0.51 -0.55 0.00 0.00 175.29 174.93 1uit s LEU 66 N 2.20 4.05 -0.18 3.68 1.43 -1.09 -1.23 118.68 127.55 1uit s LEU 66 Ca 0.57 0.68 -0.21 0.00 -1.03 0.00 0.00 54.13 54.14 1uit s LEU 66 Cb -0.25 -3.18 -0.18 0.00 0.03 0.00 0.00 46.19 42.61 1uit s LEU 66 CO 0.22 -0.72 0.26 -0.07 0.23 0.00 0.00 176.35 176.28 1uit h LEU 67 N 9.71 0.00 -8.14 1.79 3.38 -0.73 -3.38 115.31 117.93 1uit h LEU 67 Ca -0.23 -0.52 -0.20 0.00 0.09 0.00 0.00 57.88 57.02 1uit h LEU 67 Cb 1.09 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.64 1uit h LEU 67 CO 0.93 1.26 -0.71 -1.61 0.09 0.00 0.00 178.44 178.40 1uit s GLU 68 N -2.28 0.49 -0.38 1.13 2.02 -1.10 -1.05 118.70 117.53 1uit s GLU 68 Ca -0.24 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 53.92 1uit s GLU 68 Cb 0.03 -0.02 0.11 0.00 0.10 0.00 0.00 34.13 34.35 1uit s GLU 68 CO 0.54 -0.03 0.14 0.12 0.02 0.00 0.00 175.26 176.05 1uit s PHE 69 N -2.16 2.52 -0.14 1.61 5.36 0.19 0.44 117.98 125.79 1uit s PHE 69 Ca -0.07 -2.44 0.00 0.00 -0.96 0.00 0.00 56.93 53.46 1uit s PHE 69 Cb -0.05 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1uit s PHE 69 CO -0.03 -0.86 0.00 -1.71 -1.46 0.00 0.00 175.22 171.17 1uit n ASN 70 N 4.13 -4.71 0.00 6.13 2.85 0.21 -1.74 115.26 122.13 1uit n ASN 70 Ca 0.03 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1uit n ASN 70 Cb 0.39 -2.33 0.00 0.00 1.24 0.00 0.00 39.78 39.07 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 -0.76 0.94 3.77 8.20 0.00 -1.26 -4.90 105.19 111.18 1uit n GLY 71 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.06 2.06 -0.69 -0.61 1.01 -0.71 -4.91 121.20 116.30 1uit s ILE 72 Ca 0.00 0.06 -0.24 0.00 0.00 0.00 0.00 60.65 60.46 1uit s ILE 72 Cb 0.00 -3.04 0.05 0.00 0.01 0.00 0.00 42.46 39.49 1uit s ILE 72 CO 0.00 0.01 1.09 0.21 0.00 0.00 0.00 174.94 176.26 1uit s ASN 73 N -0.29 6.17 0.25 3.58 3.84 -1.26 -0.64 114.94 126.60 1uit s ASN 73 Ca 0.56 -0.74 0.16 0.00 0.21 0.00 0.00 52.86 53.05 1uit s ASN 73 Cb -0.45 -2.48 0.05 0.00 -0.55 0.00 0.00 41.25 37.82 1uit s ASN 73 CO 0.60 -1.60 1.34 -0.07 -2.79 0.00 0.00 177.10 174.59 1uit h LEU 74 N 12.03 0.00 -1.71 3.21 3.38 -1.37 -3.27 115.31 127.58 1uit h LEU 74 Ca -0.28 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.01 1uit h LEU 74 Cb 1.06 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 1uit h LEU 74 CO 1.22 0.45 0.97 0.03 0.09 0.00 0.00 178.44 181.20 1uit h ARG 75 N 0.00 0.00 -2.13 1.13 3.08 -1.55 -0.14 114.38 114.77 1uit h ARG 75 Ca -0.03 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.47 1uit h ARG 75 Cb 1.37 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.01 1uit h ARG 75 CO 0.05 0.00 -0.90 -1.13 -1.07 0.00 0.00 179.97 176.93 1uit n SER 76 N -3.75 2.52 -4.19 7.04 3.41 -1.23 -4.46 113.62 112.96 1uit n SER 76 Ca 0.24 -3.28 -0.15 0.00 -0.26 0.00 0.00 58.87 55.41 1uit n SER 76 Cb 1.32 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 64.56 1uit n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uit s ALA 77 N -2.67 1.22 0.07 7.33 0.00 -0.06 -5.03 121.76 122.61 1uit s ALA 77 Ca 0.43 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1uit s ALA 77 Cb 0.27 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 1uit s ALA 77 CO -0.10 0.00 0.30 0.95 0.00 0.00 0.00 175.76 176.92 1uit s THR 78 N -2.35 5.26 0.33 0.00 -4.23 -1.26 -4.75 115.64 108.63 1uit s THR 78 Ca 0.06 0.04 0.11 0.00 -1.18 0.00 0.00 61.69 60.72 1uit s THR 78 Cb -0.03 -3.60 0.32 0.00 1.34 0.00 0.00 72.50 70.53 1uit s THR 78 CO 0.01 0.21 1.66 1.05 -0.54 0.00 0.00 174.62 177.01 1uit h GLU 79 N 3.42 0.30 -0.71 3.99 4.11 -1.93 1.39 114.58 125.15 1uit h GLU 79 Ca -0.48 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 58.87 1uit h GLU 79 Cb 1.18 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 1uit h GLU 79 CO 0.70 0.20 0.19 -0.56 0.07 0.00 0.00 179.01 179.61 1uit h GLN 80 N 0.31 1.12 -0.02 1.06 3.07 -1.95 -0.94 115.11 117.76 1uit h GLN 80 Ca 0.68 -0.26 -0.05 0.00 0.09 0.00 0.00 58.65 59.11 1uit h GLN 80 Cb 1.49 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.90 1uit h GLN 80 CO -0.61 0.98 -0.20 1.96 0.09 0.00 0.00 178.83 181.05 1uit h GLN 81 N 1.07 0.17 -0.13 0.06 4.20 0.68 -3.10 115.11 118.06 1uit h GLN 81 Ca 0.23 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.83 1uit h GLN 81 Cb 0.35 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 1uit h GLN 81 CO -0.00 0.84 -0.37 0.00 -0.67 0.00 0.00 178.83 178.63 1uit h ALA 82 N 0.33 -0.48 -0.66 3.87 0.00 0.14 1.51 119.26 123.97 1uit h ALA 82 Ca -0.02 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1uit h ALA 82 Cb 0.90 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1uit h ALA 82 CO 0.04 -0.86 0.60 0.00 0.00 0.00 0.00 179.25 179.03 1uit h ARG 83 N -0.45 0.00 0.00 0.00 3.08 -1.26 0.50 114.38 116.26 1uit h ARG 83 Ca 0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1uit h ARG 83 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1uit h ARG 83 CO -0.38 0.00 -0.44 -0.07 -1.07 0.00 0.00 179.97 178.01 1uit h LEU 84 N 0.00 0.00 -0.93 3.04 3.38 0.01 -0.25 115.31 120.56 1uit h LEU 84 Ca 0.31 -0.28 0.23 0.00 0.09 0.00 0.00 57.88 58.23 1uit h LEU 84 Cb 1.51 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.14 1uit h LEU 84 CO -0.00 0.89 0.46 0.40 0.09 0.00 0.00 178.44 180.28 1uit h ILE 85 N -1.00 0.50 0.13 1.22 2.04 0.30 0.52 117.51 121.22 1uit h ILE 85 Ca -0.08 -0.16 -0.28 0.00 1.00 0.00 0.00 64.86 65.35 1uit h ILE 85 Cb 0.62 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1uit h ILE 85 CO -0.05 0.08 -1.24 0.16 0.00 0.00 0.00 178.15 177.11 1uit h ILE 86 N 0.46 1.49 -0.51 -0.67 3.07 -0.19 -3.24 117.51 117.91 1uit h ILE 86 Ca 0.59 -3.03 -0.31 0.00 1.55 0.00 0.00 64.86 63.66 1uit h ILE 86 Cb 1.12 2.94 -0.15 0.00 -0.27 0.00 0.00 36.82 40.45 1uit h ILE 86 CO -0.51 0.89 0.40 0.61 -1.05 0.00 0.00 178.15 178.49 1uit n GLY 87 N 1.52 3.84 1.58 0.16 0.00 0.15 -4.38 105.19 108.05 1uit n GLY 87 Ca -0.09 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 0.02 0.72 -4.09 1.61 6.02 0.69 -4.83 117.38 117.53 1uit n GLN 88 Ca 0.31 -1.22 -0.34 0.00 -0.01 0.00 0.00 57.00 55.74 1uit n GLN 88 Cb 0.79 -0.14 -0.07 0.00 1.02 0.00 0.00 30.24 31.84 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 -3.16 3.16 0.00 -1.09 0.00 -1.26 -4.90 119.66 112.41 1uit s GLN 89 Ca 0.25 -0.39 0.00 0.00 -0.00 0.00 0.00 55.36 55.22 1uit s GLN 89 Cb -0.02 -2.93 0.00 0.00 0.00 0.00 0.00 33.01 30.06 1uit s GLN 89 CO 0.16 0.69 0.00 0.00 0.00 0.00 0.00 175.29 176.14 1uit h ASP 91 N 0.00 -0.45 -3.38 0.00 5.19 -1.95 -3.37 116.42 112.46 1uit h ASP 91 Ca 0.00 0.26 -0.46 0.00 -0.62 0.00 0.00 57.03 56.21 1uit h ASP 91 Cb 0.00 0.45 -0.35 0.00 0.18 0.00 0.00 39.33 39.61 1uit h ASP 91 CO 0.00 -0.30 -0.79 -0.89 -3.12 0.00 0.00 179.24 174.14 1uit s THR 92 N -6.04 0.77 0.02 0.35 2.01 -1.26 0.79 115.64 112.27 1uit s THR 92 Ca -0.13 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1uit s THR 92 Cb 0.27 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 1uit s THR 92 CO 0.77 0.29 -0.03 -0.51 -0.69 0.00 0.00 174.62 174.45 1uit s ILE 93 N 1.09 0.17 0.21 1.82 -1.16 -0.58 -4.99 121.20 117.77 1uit s ILE 93 Ca -0.08 -0.63 0.07 0.00 -0.51 0.00 0.00 60.65 59.50 1uit s ILE 93 Cb -0.14 -0.25 -0.04 0.00 0.61 0.00 0.00 42.46 42.64 1uit s ILE 93 CO -0.01 -0.29 0.14 -0.89 -2.81 0.00 0.00 174.94 171.08 1uit s THR 94 N -0.93 4.31 -0.01 4.00 2.01 -1.26 0.51 115.64 124.27 1uit s THR 94 Ca -0.09 -1.33 0.03 0.00 0.31 0.00 0.00 61.69 60.61 1uit s THR 94 Cb -0.07 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 1uit s THR 94 CO -0.00 -0.24 -0.10 -0.63 -0.69 0.00 0.00 174.62 172.96 1uit s ILE 95 N -1.96 0.77 -0.81 1.82 1.01 0.40 0.66 121.20 123.08 1uit s ILE 95 Ca 0.31 -0.44 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 1uit s ILE 95 Cb -0.09 -0.65 0.20 0.00 0.01 0.00 0.00 42.46 41.93 1uit s ILE 95 CO 0.23 0.20 0.68 -0.22 0.00 0.00 0.00 174.94 175.83 1uit s LEU 96 N -0.28 5.46 0.79 2.97 2.96 0.17 0.13 118.68 130.88 1uit s LEU 96 Ca 0.03 -3.48 -0.07 0.00 -0.22 0.00 0.00 54.13 50.39 1uit s LEU 96 Cb -0.04 -1.89 0.13 0.00 0.50 0.00 0.00 46.19 44.90 1uit s LEU 96 CO -0.00 -0.24 1.10 0.00 -1.32 0.00 0.00 176.35 175.89 1uit s ALA 97 N -0.99 3.12 -0.40 5.97 0.00 -0.79 -0.00 121.76 128.67 1uit s ALA 97 Ca 0.24 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1uit s ALA 97 Cb -0.11 -2.39 0.20 0.00 0.00 0.00 0.00 23.12 20.83 1uit s ALA 97 CO -0.10 -1.72 0.93 -1.14 0.00 0.00 0.00 175.76 173.73 1uit s GLN 98 N -5.39 0.53 -0.12 0.00 0.74 -0.36 -0.91 119.66 114.15 1uit s GLN 98 Ca 0.67 -0.46 -0.37 0.00 0.05 0.00 0.00 55.36 55.26 1uit s GLN 98 Cb -0.06 -0.01 -0.18 0.00 1.10 0.00 0.00 33.01 33.87 1uit s GLN 98 CO 0.47 -0.68 1.06 0.98 -0.55 0.00 0.00 175.29 176.57 1uit n TYR 99 N 3.05 0.83 -3.79 1.67 4.19 -1.26 -3.78 117.16 118.07 1uit n TYR 99 Ca 0.13 0.95 -0.24 0.00 3.31 0.00 0.00 57.90 62.04 1uit n TYR 99 Cb 0.61 -1.86 -0.17 0.00 0.49 0.00 0.00 39.34 38.40 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 0.71 1.85 0.00 2.98 2.47 -1.22 -3.67 114.94 118.06 1uit s ASN 100 Ca 0.83 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.90 1uit s ASN 100 Cb -1.17 -0.52 0.00 0.00 -1.45 0.00 0.00 41.25 38.11 1uit s ASN 100 CO 0.56 -0.20 0.00 -0.81 -3.72 0.00 0.00 177.10 172.93 1uit n PRO 101 N 5.10 2.36 -2.17 0.43 -0.04 -1.26 -4.38 135.00 135.04 1uit n PRO 101 Ca -0.08 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 1uit n PRO 101 Cb 0.50 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.06 -1.30 -4.78 0.54 -0.00 -1.26 -4.90 115.22 103.47 1uit n HIS 102 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 1uit n HIS 102 Cb 0.00 -2.33 -0.16 0.00 -0.00 0.00 0.00 29.99 27.50 1uit n HIS 102 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1uit s VAL 103 N -2.33 1.32 -0.25 3.57 1.01 -1.26 -5.13 120.40 117.34 1uit s VAL 103 Ca 0.00 -0.69 -0.32 0.00 0.00 0.00 0.00 61.98 60.97 1uit s VAL 103 Cb 0.00 -1.12 0.17 0.00 0.00 0.00 0.00 36.38 35.43 1uit s VAL 103 CO 0.00 0.38 1.28 -2.28 0.00 0.00 0.00 175.10 174.48 1uit s HIS 104 N -0.18 -0.09 -0.06 5.22 2.46 -1.26 -5.10 115.29 116.27 1uit s HIS 104 Ca 0.02 0.12 -0.15 0.00 0.47 0.00 0.00 55.06 55.52 1uit s HIS 104 Cb -0.09 0.50 0.03 0.00 -0.13 0.00 0.00 32.58 32.89 1uit s HIS 104 CO 0.01 -0.11 0.36 -0.65 -2.47 0.00 0.00 174.74 171.87 1uit s GLN 105 N -1.55 0.61 -0.15 2.88 -0.21 -1.26 -5.15 119.66 114.83 1uit s GLN 105 Ca 0.08 0.11 -0.00 0.00 0.02 0.00 0.00 55.36 55.57 1uit s GLN 105 Cb -0.01 0.28 -0.01 0.00 1.00 0.00 0.00 33.01 34.27 1uit s GLN 105 CO -0.05 -0.14 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.33 1uit s LEU 106 N -0.74 2.60 0.39 2.90 1.02 -1.26 -5.12 118.68 118.47 1uit s LEU 106 Ca -0.08 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 53.73 1uit s LEU 106 Cb -0.04 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 1uit s LEU 106 CO 0.03 0.10 0.39 -0.94 0.02 0.00 0.00 176.35 175.96 1uit s SER 107 N 0.70 5.27 0.45 2.29 1.04 -1.26 -5.14 113.70 117.05 1uit s SER 107 Ca -0.06 -0.59 0.06 0.00 0.48 0.00 0.00 55.95 55.83 1uit s SER 107 Cb -0.15 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.19 1uit s SER 107 CO 0.02 -0.57 0.15 -0.44 0.98 0.00 0.00 173.24 173.38 1uit s SER 108 N -4.13 4.31 0.30 7.02 0.01 -1.26 -5.16 113.70 114.80 1uit s SER 108 Ca 0.47 -1.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.44 1uit s SER 108 Cb -0.05 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1uit s SER 108 CO 0.28 -0.66 0.41 -1.00 0.41 0.00 0.00 173.24 172.68 1uit s HIS 109 N -2.69 1.00 0.31 2.43 3.76 -1.26 -5.18 115.29 113.66 1uit s HIS 109 Ca 0.33 -1.23 0.07 0.00 -0.15 0.00 0.00 55.06 54.08 1uit s HIS 109 Cb 0.04 -0.16 -0.06 0.00 1.11 0.00 0.00 32.58 33.51 1uit s HIS 109 CO 0.18 -1.01 -0.04 0.45 -0.85 0.00 0.00 174.74 173.47 1uit s SER 110 N -3.20 2.99 0.31 1.40 0.15 -1.26 -5.16 113.70 108.94 1uit s SER 110 Ca 0.31 -1.24 0.06 0.00 0.70 0.00 0.00 55.95 55.77 1uit s SER 110 Cb 0.01 -0.21 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1uit s SER 110 CO 0.18 -0.37 0.45 0.00 1.20 0.00 0.00 173.24 174.69 1uit s ARG 111 N -3.73 3.23 0.24 5.44 1.04 -1.26 -5.13 118.95 118.79 1uit s ARG 111 Ca 0.32 -0.88 -0.01 0.00 -1.04 0.00 0.00 55.73 54.12 1uit s ARG 111 Cb 0.05 -2.83 -0.03 0.00 -2.04 0.00 0.00 34.95 30.10 1uit s ARG 111 CO 0.14 0.17 0.22 -1.54 -0.04 0.00 0.00 175.30 174.25 1uit s SER 112 N -4.11 0.47 0.22 -2.89 1.04 -1.26 -5.18 113.70 102.00 1uit s SER 112 Ca 0.41 -1.42 0.11 0.00 0.48 0.00 0.00 55.95 55.53 1uit s SER 112 Cb -0.09 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1uit s SER 112 CO 0.31 -0.95 -0.16 -0.83 0.98 0.00 0.00 173.24 172.60 1uit s GLY 113 N -3.19 1.75 0.76 7.32 0.00 -1.26 -5.14 107.32 107.56 1uit s GLY 113 Ca 0.37 -1.65 -0.13 0.00 0.00 0.00 0.00 44.72 43.31 1uit s GLY 113 CO 0.15 -1.70 0.84 -1.55 0.00 0.00 0.00 173.10 170.84 1uit n PRO 114 N -0.18 -1.68 -3.62 2.90 -0.04 -1.26 -5.11 135.00 126.02 1uit n PRO 114 Ca -0.09 -1.31 -0.15 0.00 -0.04 0.00 0.00 63.50 61.91 1uit n PRO 114 Cb 0.57 -1.04 -0.06 0.00 -0.04 0.00 0.00 33.50 32.93 1uit n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uit s SER 115 N -3.96 -0.41 0.29 3.54 0.15 -1.26 -5.17 113.70 106.88 1uit s SER 115 Ca 0.51 0.26 0.07 0.00 0.70 0.00 0.00 55.95 57.49 1uit s SER 115 Cb -0.03 0.45 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1uit s SER 115 CO 0.37 -0.62 0.24 -0.55 1.20 0.00 0.00 173.24 173.88 1uit s SER 116 N -1.63 5.43 0.00 5.45 0.15 -1.26 -5.38 113.70 116.46 1uit s SER 116 Ca -0.09 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1uit s SER 116 Cb -0.02 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1uit s SER 116 CO 0.03 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.89