#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gsi s GLN 3 N 0.00 -0.01 -0.16 5.55 -0.21 -0.72 -5.02 119.66 119.09 2gsi s GLN 3 Ca 0.00 0.10 -0.13 0.00 0.02 0.00 0.00 55.36 55.35 2gsi s GLN 3 Cb 0.00 -0.13 -0.05 0.00 1.00 0.00 0.00 33.01 33.84 2gsi s GLN 3 CO 0.00 -0.09 0.27 -0.51 -2.12 0.00 0.00 175.29 172.84 2gsi s LEU 4 N 0.56 4.26 -0.18 2.90 1.43 -1.26 -0.61 118.68 125.77 2gsi s LEU 4 Ca -0.05 0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2gsi s LEU 4 Cb -0.07 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.83 2gsi s LEU 4 CO -0.02 0.14 -0.15 -1.10 0.23 0.00 0.00 176.35 175.45 2gsi s GLN 5 N 0.30 3.14 0.34 1.70 -0.21 0.10 -4.09 119.66 120.94 2gsi s GLN 5 Ca 0.16 -0.76 0.01 0.00 0.02 0.00 0.00 55.36 54.78 2gsi s GLN 5 Cb -0.13 -2.67 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 2gsi s GLN 5 CO 0.04 -0.13 0.54 -0.65 -2.12 0.00 0.00 175.29 172.96 2gsi s GLN 6 N 1.16 3.47 1.16 2.91 -0.21 -1.26 0.32 119.66 127.21 2gsi s GLN 6 Ca 0.01 -0.37 -0.18 0.00 0.02 0.00 0.00 55.36 54.84 2gsi s GLN 6 Cb -0.14 -2.68 0.27 0.00 1.00 0.00 0.00 33.01 31.46 2gsi s GLN 6 CO -0.06 0.16 1.11 -1.54 -2.12 0.00 0.00 175.29 172.84 2gsi s SER 7 N -4.04 1.31 1.01 5.90 1.04 -0.54 -4.92 113.70 113.47 2gsi s SER 7 Ca 0.40 0.72 -0.15 0.00 0.48 0.00 0.00 55.95 57.39 2gsi s SER 7 Cb -0.10 -1.03 0.20 0.00 0.10 0.00 0.00 66.02 65.19 2gsi s SER 7 CO 0.36 -3.89 1.19 -0.83 0.98 0.00 0.00 173.24 171.04 2gsi s GLY 8 N -3.85 1.64 0.43 7.32 0.00 -1.26 -4.63 107.32 106.97 2gsi s GLY 8 Ca 0.70 -0.86 -0.26 0.00 0.00 0.00 0.00 44.72 44.30 2gsi s GLY 8 CO 0.56 -0.14 1.41 0.00 0.00 0.00 0.00 173.10 174.93 2gsi s ALA 9 N -3.39 3.27 -0.13 3.20 0.00 -1.26 -4.70 121.76 118.75 2gsi s ALA 9 Ca 0.69 1.43 0.02 0.00 0.00 0.00 0.00 51.96 54.10 2gsi s ALA 9 Cb -0.10 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 2gsi s ALA 9 CO 0.54 -1.11 -0.19 -1.21 0.00 0.00 0.00 175.76 173.79 2gsi s GLU 10 N -2.38 3.16 -0.14 0.00 0.41 -0.33 -5.00 118.70 114.42 2gsi s GLU 10 Ca 0.59 -0.80 -0.03 0.00 -0.41 0.00 0.00 54.97 54.32 2gsi s GLU 10 Cb -0.43 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.42 2gsi s GLU 10 CO 0.55 0.11 -0.05 -1.17 -0.49 0.00 0.00 175.26 174.22 2gsi s LEU 11 N 0.54 3.19 -0.06 1.80 2.96 -1.26 -0.30 118.68 125.55 2gsi s LEU 11 Ca -0.12 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 53.46 2gsi s LEU 11 Cb -0.16 -1.75 0.04 0.00 0.50 0.00 0.00 46.19 44.82 2gsi s LEU 11 CO 0.04 0.20 0.46 0.68 -1.32 0.00 0.00 176.35 176.41 2gsi s VAL 12 N 0.17 0.03 0.39 1.68 -7.23 -0.74 -4.98 120.40 109.72 2gsi s VAL 12 Ca -0.02 -0.23 -0.25 0.00 -1.81 0.00 0.00 61.98 59.67 2gsi s VAL 12 Cb -0.14 -0.74 -0.09 0.00 0.56 0.00 0.00 36.38 35.97 2gsi s VAL 12 CO 0.03 -0.13 1.08 -0.13 -0.31 0.00 0.00 175.10 175.65 2gsi s ARG 13 N -0.96 4.16 -0.53 4.82 0.52 -1.25 -2.41 118.95 123.30 2gsi s ARG 13 Ca -0.10 1.62 -0.30 0.00 -0.52 0.00 0.00 55.73 56.43 2gsi s ARG 13 Cb -0.03 -2.62 -0.11 0.00 0.52 0.00 0.00 34.95 32.71 2gsi s ARG 13 CO 0.05 -0.17 2.40 0.45 0.02 0.00 0.00 175.30 178.05 2gsi n SER 14 N 0.04 1.92 0.00 0.23 2.88 -1.26 -1.07 113.62 116.36 2gsi n SER 14 Ca 0.04 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2gsi n SER 14 Cb 0.48 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 2gsi n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gsi n GLY 15 N 6.25 2.04 3.64 0.46 0.00 0.06 -4.94 105.19 112.71 2gsi n GLY 15 Ca 0.44 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2gsi n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gsi s ALA 16 N -0.31 0.85 0.26 4.61 0.00 -0.23 -3.81 121.76 123.13 2gsi s ALA 16 Ca 0.00 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.17 2gsi s ALA 16 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2gsi s ALA 16 CO 0.00 -3.34 0.00 -1.12 0.00 0.00 0.00 175.76 171.31 2gsi s SER 17 N -3.94 4.59 0.07 0.00 0.01 -1.26 -1.15 113.70 112.02 2gsi s SER 17 Ca 0.70 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 2gsi s SER 17 Cb -0.10 -0.88 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 2gsi s SER 17 CO 0.56 0.01 -0.01 0.54 0.41 0.00 0.00 173.24 174.75 2gsi s VAL 18 N -2.26 0.20 -0.07 3.43 0.11 -0.79 -5.01 120.40 116.01 2gsi s VAL 18 Ca 0.31 -1.84 0.02 0.00 -2.93 0.00 0.00 61.98 57.54 2gsi s VAL 18 Cb -0.07 -1.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.15 2gsi s VAL 18 CO 0.20 -0.87 -0.12 -0.75 -3.33 0.00 0.00 175.10 170.23 2gsi s LYS 19 N -3.95 1.67 -0.11 1.54 2.20 -1.26 -1.52 119.74 118.30 2gsi s LYS 19 Ca 0.11 -0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 55.30 2gsi s LYS 19 Cb 0.08 -1.42 -0.03 0.00 -1.51 0.00 0.00 37.83 34.94 2gsi s LYS 19 CO -0.07 -0.01 0.01 -0.51 -0.36 0.00 0.00 175.35 174.40 2gsi s LEU 20 N 0.80 3.57 0.12 5.43 1.43 0.01 -4.96 118.68 125.08 2gsi s LEU 20 Ca -0.12 0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2gsi s LEU 20 Cb -0.15 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2gsi s LEU 20 CO 0.02 0.31 -0.11 -0.94 0.23 0.00 0.00 176.35 175.86 2gsi s SER 21 N -0.45 4.29 -0.18 2.29 1.04 -1.26 -0.95 113.70 118.47 2gsi s SER 21 Ca 0.08 -0.45 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 2gsi s SER 21 Cb -0.12 -0.77 0.07 0.00 0.10 0.00 0.00 66.02 65.30 2gsi s SER 21 CO 0.02 0.16 0.14 0.00 0.98 0.00 0.00 173.24 174.54 2gsi s THR 23 N 2.20 3.22 0.44 0.00 -1.32 0.15 -0.07 115.64 120.28 2gsi s THR 23 Ca 0.04 -0.58 -0.09 0.00 -1.21 0.00 0.00 61.69 59.84 2gsi s THR 23 Cb -0.16 -2.39 -0.06 0.00 -1.51 0.00 0.00 72.50 68.38 2gsi s THR 23 CO -0.11 0.50 0.80 0.00 -2.21 0.00 0.00 174.62 173.60 2gsi s ALA 24 N 0.65 3.34 -0.12 11.08 0.00 -0.67 -0.73 121.76 135.31 2gsi s ALA 24 Ca -0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 2gsi s ALA 24 Cb -0.15 -2.71 0.05 0.00 0.00 0.00 0.00 23.12 20.31 2gsi s ALA 24 CO 0.02 -0.16 0.28 0.45 0.00 0.00 0.00 175.76 176.35 2gsi s SER 25 N -3.49 -0.24 0.00 0.00 0.15 0.22 -4.88 113.70 105.46 2gsi s SER 25 Ca 0.51 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.76 2gsi s SER 25 Cb -0.10 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2gsi s SER 25 CO 0.37 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2gsi n GLY 26 N 4.38 0.76 3.68 9.45 0.00 -1.26 -1.76 105.19 120.43 2gsi n GLY 26 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 2gsi n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2gsi s PHE 27 N -2.27 -0.31 0.06 1.61 -0.12 -1.26 -4.81 117.98 110.89 2gsi s PHE 27 Ca 0.00 -0.02 0.04 0.00 -0.05 0.00 0.00 56.93 56.90 2gsi s PHE 27 Cb 0.00 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 2gsi s PHE 27 CO 0.00 -1.01 -0.03 0.54 -0.05 0.00 0.00 175.22 174.67 2gsi s ASN 28 N -2.83 4.84 -0.30 1.98 6.03 -1.26 -4.89 114.94 118.51 2gsi s ASN 28 Ca 0.07 -0.19 0.00 0.00 -1.03 0.00 0.00 52.86 51.72 2gsi s ASN 28 Cb -0.03 -1.13 0.28 0.00 -3.03 0.00 0.00 41.25 37.35 2gsi s ASN 28 CO -0.01 0.21 1.78 2.30 -2.03 0.00 0.00 177.10 179.34 2gsi n ILE 29 N 0.89 2.53 -0.49 0.54 -5.35 -1.26 -2.12 119.36 114.10 2gsi n ILE 29 Ca -0.13 -1.41 0.00 0.00 -0.27 0.00 0.00 62.75 60.94 2gsi n ILE 29 Cb 0.52 -1.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 2gsi n ILE 29 CO 0.00 0.00 0.00 2.29 -1.76 0.00 0.00 176.55 177.08 2gsi n LYS 30 N -0.03 -0.03 0.00 6.28 2.85 -1.26 -4.20 118.16 121.77 2gsi n LYS 30 Ca 0.32 -0.43 0.12 0.00 -1.05 0.00 0.00 58.31 57.27 2gsi n LYS 30 Cb 0.82 -0.75 0.18 0.00 -0.65 0.00 0.00 35.03 34.63 2gsi n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2gsi n ASP 31 N -0.06 2.32 -3.72 -5.58 8.00 -0.90 -4.80 116.55 111.81 2gsi n ASP 31 Ca 0.00 -1.70 -0.23 0.00 0.71 0.00 0.00 54.79 53.57 2gsi n ASP 31 Cb 0.18 0.12 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 2gsi n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2gsi s TYR 32 N -2.15 1.78 -0.18 1.24 1.51 -1.26 -4.86 117.35 113.43 2gsi s TYR 32 Ca 0.27 -1.49 -0.05 0.00 -1.01 0.00 0.00 57.07 54.79 2gsi s TYR 32 Cb 0.20 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 2gsi s TYR 32 CO 0.39 -0.59 0.00 0.71 -1.11 0.00 0.00 175.55 174.95 2gsi s TYR 33 N -3.28 3.09 -0.20 2.71 2.02 -0.82 -4.43 117.35 116.44 2gsi s TYR 33 Ca 0.30 -0.24 -0.24 0.00 -0.37 0.00 0.00 57.07 56.53 2gsi s TYR 33 Cb 0.02 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 2gsi s TYR 33 CO 0.21 -0.04 0.79 -1.64 -1.57 0.00 0.00 175.55 173.30 2gsi s MET 34 N 0.54 4.24 0.21 -0.62 -1.94 -1.00 -1.81 119.30 118.93 2gsi s MET 34 Ca -0.01 0.91 0.06 0.00 -1.71 0.00 0.00 55.69 54.94 2gsi s MET 34 Cb -0.14 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.07 2gsi s MET 34 CO 0.02 -0.37 0.21 0.71 -0.01 0.00 0.00 175.02 175.58 2gsi s TYR 35 N 2.33 3.21 0.01 -0.03 1.51 0.44 -1.62 117.35 123.20 2gsi s TYR 35 Ca 0.35 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.42 2gsi s TYR 35 Cb -0.16 -1.49 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 2gsi s TYR 35 CO 0.10 0.51 -0.16 -1.58 -1.11 0.00 0.00 175.55 173.31 2gsi s TRP 36 N -1.95 1.44 -0.08 2.71 0.52 -0.90 -1.37 118.94 119.31 2gsi s TRP 36 Ca 0.33 -0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.11 2gsi s TRP 36 Cb -0.09 -0.90 0.04 0.00 -1.15 0.00 0.00 33.47 31.38 2gsi s TRP 36 CO 0.25 0.01 0.14 0.08 0.02 0.00 0.00 176.95 177.46 2gsi s VAL 37 N -0.58 -0.22 -0.16 4.03 1.01 -0.50 -0.98 120.40 123.00 2gsi s VAL 37 Ca 0.05 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 2gsi s VAL 37 Cb -0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 2gsi s VAL 37 CO 0.00 0.15 0.28 -0.75 0.00 0.00 0.00 175.10 174.78 2gsi s LYS 38 N 2.18 4.24 -0.41 2.72 2.20 -0.13 -1.61 119.74 128.93 2gsi s LYS 38 Ca 0.02 0.06 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 2gsi s LYS 38 Cb -0.12 -3.42 0.11 0.00 -1.51 0.00 0.00 37.83 32.89 2gsi s LYS 38 CO -0.05 0.25 0.14 -1.17 -0.36 0.00 0.00 175.35 174.16 2gsi s LEU 39 N 0.43 4.34 0.25 5.43 2.96 -0.13 -1.00 118.68 130.95 2gsi s LEU 39 Ca 0.16 -2.48 -0.30 0.00 -0.22 0.00 0.00 54.13 51.29 2gsi s LEU 39 Cb -0.13 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.92 2gsi s LEU 39 CO 0.03 -0.32 1.08 -0.13 -1.32 0.00 0.00 176.35 175.69 2gsi s ARG 40 N 0.46 4.66 -0.36 1.98 0.52 -1.25 -2.31 118.95 122.66 2gsi s ARG 40 Ca 0.14 1.74 -0.28 0.00 -0.52 0.00 0.00 55.73 56.80 2gsi s ARG 40 Cb -0.22 -3.22 0.02 0.00 0.52 0.00 0.00 34.95 32.05 2gsi s ARG 40 CO -0.06 0.22 1.06 -1.25 0.02 0.00 0.00 175.30 175.29 2gsi s PRO 41 N -1.13 3.96 -0.63 3.54 0.04 -1.26 -0.35 135.00 139.17 2gsi s PRO 41 Ca 0.45 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 2gsi s PRO 41 Cb -0.30 -3.78 -0.02 0.00 0.04 0.00 0.00 34.50 30.44 2gsi s PRO 41 CO 0.38 -1.00 0.54 0.39 0.04 0.00 0.00 177.00 177.35 2gsi n GLU 42 N 7.03 -2.62 -0.75 4.56 1.02 -1.26 -5.08 120.64 123.55 2gsi n GLU 42 Ca 0.11 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.73 2gsi n GLU 42 Cb 0.48 -4.18 0.00 0.00 -0.02 0.00 0.00 31.44 27.72 2gsi n GLU 42 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gsi n GLN 43 N -2.62 0.00 -2.31 3.49 6.02 0.53 -5.19 117.38 117.30 2gsi n GLN 43 Ca -0.11 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.63 2gsi n GLN 43 Cb 0.58 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.92 2gsi n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2gsi s GLY 44 N -0.90 1.73 -0.19 1.08 0.00 -1.26 -4.62 107.32 103.16 2gsi s GLY 44 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 2gsi s GLY 44 CO 0.00 -0.68 1.01 1.08 0.00 0.00 0.00 173.10 174.51 2gsi s LEU 45 N -5.18 4.14 -0.05 0.66 1.43 -1.26 -3.78 118.68 114.64 2gsi s LEU 45 Ca 0.61 1.40 -0.10 0.00 -1.03 0.00 0.00 54.13 55.02 2gsi s LEU 45 Cb -0.10 -3.52 -0.05 0.00 0.03 0.00 0.00 46.19 42.56 2gsi s LEU 45 CO 0.44 -0.59 0.26 -1.61 0.23 0.00 0.00 176.35 175.08 2gsi s GLU 46 N 2.80 3.63 -0.08 1.70 2.02 -0.17 -4.96 118.70 123.63 2gsi s GLU 46 Ca 0.45 0.07 -0.17 0.00 0.02 0.00 0.00 54.97 55.34 2gsi s GLU 46 Cb -0.16 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 2gsi s GLU 46 CO 0.10 0.73 0.44 -0.46 0.02 0.00 0.00 175.26 176.09 2gsi s TRP 47 N -1.10 3.58 -0.21 1.61 -0.11 -1.26 -0.95 118.94 120.50 2gsi s TRP 47 Ca 0.20 0.91 0.14 0.00 1.22 0.00 0.00 56.10 58.57 2gsi s TRP 47 Cb -0.14 -2.45 -0.23 0.00 -1.50 0.00 0.00 33.47 29.15 2gsi s TRP 47 CO 0.09 0.33 0.03 -0.89 -4.62 0.00 0.00 176.95 171.89 2gsi n ILE 48 N 3.05 1.42 0.00 5.86 5.41 -0.15 -4.74 119.36 130.20 2gsi n ILE 48 Ca -0.10 -0.80 0.00 0.00 1.00 0.00 0.00 62.75 62.86 2gsi n ILE 48 Cb 0.52 -0.68 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 2gsi n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2gsi n GLY 49 N 1.85 0.88 3.33 7.39 0.00 -1.24 -1.01 105.19 116.39 2gsi n GLY 49 Ca -0.35 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 2gsi n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2gsi s TRP 50 N -3.32 0.54 -0.06 1.61 1.48 -0.54 -2.11 118.94 116.53 2gsi s TRP 50 Ca 0.00 -0.88 0.01 0.00 -1.06 0.00 0.00 56.10 54.17 2gsi s TRP 50 Cb 0.00 -0.14 0.02 0.00 -1.16 0.00 0.00 33.47 32.19 2gsi s TRP 50 CO 0.00 -0.72 -0.07 -1.50 -4.06 0.00 0.00 176.95 170.60 2gsi s ILE 51 N -4.01 0.76 -0.65 0.66 2.07 -0.64 -1.39 121.20 118.00 2gsi s ILE 51 Ca 0.21 -0.23 -0.19 0.00 -1.41 0.00 0.00 60.65 59.03 2gsi s ILE 51 Cb 0.04 -0.75 0.12 0.00 0.13 0.00 0.00 42.46 41.99 2gsi s ILE 51 CO 0.03 0.28 0.77 -0.62 -1.91 0.00 0.00 174.94 173.48 2gsi s ASP 52 N 0.98 6.28 -0.70 4.50 2.15 0.76 -2.37 116.67 128.28 2gsi s ASP 52 Ca -0.10 -1.60 -0.06 0.00 0.43 0.00 0.00 52.55 51.23 2gsi s ASP 52 Cb -0.14 -2.31 -0.11 0.00 -0.30 0.00 0.00 42.92 40.06 2gsi s ASP 52 CO 0.00 -1.08 2.47 -2.65 -0.17 0.00 0.00 175.17 173.75 2gsi n PRO 52 N 6.20 2.11 0.00 4.34 -0.02 -1.26 -0.15 135.00 146.22 2gsi n PRO 52 Ca -0.04 -1.30 0.00 0.00 -2.02 0.00 0.00 63.50 60.14 2gsi n PRO 52 Cb 0.44 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2gsi n PRO 52 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2gsi n GLU 53 N 3.50 2.14 0.00 -0.52 2.13 -1.26 -4.23 120.64 122.40 2gsi n GLU 53 Ca 0.45 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2gsi n GLU 53 Cb 0.34 -0.18 0.00 0.00 0.27 0.00 0.00 31.44 31.87 2gsi n GLU 53 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2gsi n ASN 54 N 0.00 0.00 -2.19 4.31 0.23 -0.80 -5.00 115.26 111.81 2gsi n ASN 54 Ca 0.00 -0.92 -0.19 0.00 -0.53 0.00 0.00 54.58 52.95 2gsi n ASN 54 Cb 0.00 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2gsi n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gsi n GLY 55 N 0.00 -0.39 3.75 4.83 0.00 0.79 -4.97 105.19 109.20 2gsi n GLY 55 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2gsi n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gsi s ASP 56 N -2.25 7.33 0.04 1.61 1.01 -1.16 -4.88 116.67 118.37 2gsi s ASP 56 Ca 0.04 2.16 0.06 0.00 0.71 0.00 0.00 52.55 55.52 2gsi s ASP 56 Cb -0.02 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2gsi s ASP 56 CO 0.05 -0.12 -0.17 0.42 0.21 0.00 0.00 175.17 175.55 2gsi s THR 57 N -0.83 1.39 -0.09 -1.27 -4.23 -1.26 -0.17 115.64 109.18 2gsi s THR 57 Ca 0.46 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.86 2gsi s THR 57 Cb -0.30 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.34 2gsi s THR 57 CO 0.37 0.11 0.00 -1.61 -0.54 0.00 0.00 174.62 172.96 2gsi s GLU 58 N -1.14 0.65 0.11 3.99 2.02 -0.49 -4.99 118.70 118.85 2gsi s GLU 58 Ca 0.05 0.01 -0.02 0.00 0.02 0.00 0.00 54.97 55.02 2gsi s GLU 58 Cb -0.08 -1.18 -0.05 0.00 0.10 0.00 0.00 34.13 32.92 2gsi s GLU 58 CO 0.01 -0.36 0.31 0.71 0.02 0.00 0.00 175.26 175.96 2gsi s TYR 59 N 1.95 3.49 0.32 1.61 4.12 -1.26 -1.47 117.35 126.10 2gsi s TYR 59 Ca 0.04 0.41 -0.28 0.00 0.02 0.00 0.00 57.07 57.27 2gsi s TYR 59 Cb -0.13 -1.89 -0.09 0.00 -1.52 0.00 0.00 41.96 38.33 2gsi s TYR 59 CO -0.06 0.49 1.07 0.08 0.02 0.00 0.00 175.55 177.15 2gsi s VAL 60 N -1.62 3.61 0.55 0.71 1.01 -0.18 -4.86 120.40 119.61 2gsi s VAL 60 Ca 0.38 1.48 0.33 0.00 0.00 0.00 0.00 61.98 64.17 2gsi s VAL 60 Cb -0.12 -3.89 0.49 0.00 0.00 0.00 0.00 36.38 32.85 2gsi s VAL 60 CO 0.26 0.26 1.86 -0.65 0.00 0.00 0.00 175.10 176.83 2gsi h PRO 61 N 3.41 0.00 0.00 2.72 0.11 -1.95 0.55 132.00 136.84 2gsi h PRO 61 Ca -0.47 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 2gsi h PRO 61 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2gsi h PRO 61 CO 0.65 0.00 -0.20 1.15 -0.21 0.00 0.00 178.00 179.39 2gsi h THR 62 N 0.00 0.58 -0.02 -1.15 2.02 -1.96 -3.27 112.91 109.12 2gsi h THR 62 Ca 0.44 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2gsi h THR 62 Cb 1.82 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 2gsi h THR 62 CO -0.00 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.57 2gsi n PHE 63 N -3.49 0.01 -1.87 3.16 3.01 0.19 -4.90 117.46 113.57 2gsi n PHE 63 Ca -0.01 -0.01 -0.39 0.00 1.01 0.00 0.00 57.45 58.06 2gsi n PHE 63 Cb 0.37 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.86 2gsi n PHE 63 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2gsi s GLN 64 N -0.83 3.51 0.00 -1.08 -0.21 -1.10 -1.41 119.66 118.54 2gsi s GLN 64 Ca 0.12 2.25 0.00 0.00 0.02 0.00 0.00 55.36 57.75 2gsi s GLN 64 Cb 0.08 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.60 2gsi s GLN 64 CO 0.12 -0.90 0.00 0.41 -2.12 0.00 0.00 175.29 172.80 2gsi n GLY 65 N 0.64 0.00 0.00 3.09 0.00 -1.26 -4.68 105.19 102.98 2gsi n GLY 65 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 2gsi n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gsi n LYS 66 N 0.27 2.54 -3.88 1.61 3.00 -0.50 -5.02 118.16 116.18 2gsi n LYS 66 Ca 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.14 2gsi n LYS 66 Cb 0.36 -1.04 -0.15 0.00 0.00 0.00 0.00 35.03 34.21 2gsi n LYS 66 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2gsi s VAL 67 N -2.15 0.04 -0.13 3.15 1.01 -0.97 -4.52 120.40 116.83 2gsi s VAL 67 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 2gsi s VAL 67 Cb 0.06 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.41 2gsi s VAL 67 CO 0.36 0.04 0.03 -0.89 0.00 0.00 0.00 175.10 174.64 2gsi s THR 68 N 0.29 0.37 -0.16 3.92 2.01 0.33 -4.93 115.64 117.47 2gsi s THR 68 Ca -0.02 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2gsi s THR 68 Cb -0.04 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2gsi s THR 68 CO -0.01 0.01 0.13 -0.04 -0.69 0.00 0.00 174.62 174.02 2gsi s MET 69 N 1.95 3.77 0.22 4.92 -1.94 -1.26 0.29 119.30 127.25 2gsi s MET 69 Ca 0.02 -0.18 -0.02 0.00 -1.71 0.00 0.00 55.69 53.81 2gsi s MET 69 Cb -0.15 -3.28 -0.03 0.00 2.01 0.00 0.00 34.83 33.38 2gsi s MET 69 CO -0.07 0.56 0.20 0.95 -0.01 0.00 0.00 175.02 176.66 2gsi s THR 70 N -0.40 0.00 -0.18 2.05 -4.23 -0.81 -5.00 115.64 107.06 2gsi s THR 70 Ca 0.12 -1.90 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 2gsi s THR 70 Cb -0.12 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.31 2gsi s THR 70 CO 0.01 0.00 0.49 0.00 -0.54 0.00 0.00 174.62 174.58 2gsi s ALA 71 N -4.05 -1.21 -0.74 3.99 0.00 -1.26 0.04 121.76 118.53 2gsi s ALA 71 Ca 0.37 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.71 2gsi s ALA 71 Cb 0.05 -0.80 0.18 0.00 0.00 0.00 0.00 23.12 22.55 2gsi s ALA 71 CO 0.13 -0.23 0.57 0.34 0.00 0.00 0.00 175.76 176.57 2gsi s ASP 72 N 0.27 5.32 0.00 0.00 -1.08 0.19 -4.95 116.67 116.42 2gsi s ASP 72 Ca -0.00 -3.48 0.03 0.00 -0.52 0.00 0.00 52.55 48.58 2gsi s ASP 72 Cb -0.03 -1.80 0.17 0.00 -1.46 0.00 0.00 42.92 39.80 2gsi s ASP 72 CO 0.00 -0.21 0.49 0.35 0.52 0.00 0.00 175.17 176.32 2gsi n THR 73 N 2.59 0.00 -0.01 1.71 -2.24 -1.26 -0.44 114.28 114.64 2gsi n THR 73 Ca 0.16 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.92 2gsi n THR 73 Cb 0.36 -0.57 -0.12 0.00 -2.10 0.00 0.00 70.33 67.91 2gsi n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2gsi n SER 74 N -0.68 0.55 -0.12 3.42 3.41 -1.26 -4.18 113.62 114.76 2gsi n SER 74 Ca 0.02 0.25 0.03 0.00 -0.26 0.00 0.00 58.87 58.91 2gsi n SER 74 Cb 0.01 0.57 0.04 0.00 -0.26 0.00 0.00 64.21 64.57 2gsi n SER 74 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2gsi n SER 75 N -2.79 1.25 -3.57 4.04 3.41 -0.69 -5.02 113.62 110.24 2gsi n SER 75 Ca -0.15 -2.08 -0.21 0.00 -0.26 0.00 0.00 58.87 56.18 2gsi n SER 75 Cb 0.90 -0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.76 2gsi n SER 75 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2gsi n ASN 76 N -0.55 -2.95 -4.18 4.04 5.15 0.42 -4.79 115.26 112.40 2gsi n ASN 76 Ca 0.04 -0.67 -0.23 0.00 -0.60 0.00 0.00 54.58 53.12 2gsi n ASN 76 Cb 0.50 -4.74 -0.14 0.00 -0.53 0.00 0.00 39.78 34.87 2gsi n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2gsi s THR 77 N -3.42 1.37 -0.02 -0.44 2.01 -0.95 -1.67 115.64 112.52 2gsi s THR 77 Ca 0.18 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.27 2gsi s THR 77 Cb -0.08 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 2gsi s THR 77 CO 0.76 0.19 -0.23 0.00 -0.69 0.00 0.00 174.62 174.65 2gsi s ALA 78 N -0.68 2.29 0.07 7.40 0.00 0.91 0.56 121.76 132.29 2gsi s ALA 78 Ca 0.05 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 51.00 2gsi s ALA 78 Cb -0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.38 2gsi s ALA 78 CO 0.01 0.54 -0.26 0.71 0.00 0.00 0.00 175.76 176.76 2gsi s TYR 79 N -0.67 2.26 -0.25 0.00 1.51 0.11 -0.38 117.35 119.92 2gsi s TYR 79 Ca 0.11 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.73 2gsi s TYR 79 Cb -0.10 -1.32 0.08 0.00 -0.11 0.00 0.00 41.96 40.51 2gsi s TYR 79 CO -0.00 0.18 0.09 -1.17 -1.11 0.00 0.00 175.55 173.53 2gsi s LEU 80 N -1.45 1.14 -0.12 -1.29 2.96 -0.13 -1.93 118.68 117.87 2gsi s LEU 80 Ca 0.12 -1.16 -0.17 0.00 -0.22 0.00 0.00 54.13 52.70 2gsi s LEU 80 Cb -0.10 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 2gsi s LEU 80 CO 0.03 -0.38 0.41 -1.58 -1.32 0.00 0.00 176.35 173.51 2gsi s GLN 81 N 1.91 4.28 0.48 1.98 0.74 0.14 -0.81 119.66 128.38 2gsi s GLN 81 Ca 0.05 0.33 0.07 0.00 0.05 0.00 0.00 55.36 55.87 2gsi s GLN 81 Cb -0.17 -3.42 0.01 0.00 1.10 0.00 0.00 33.01 30.53 2gsi s GLN 81 CO -0.22 0.22 0.39 -0.51 -0.55 0.00 0.00 175.29 174.62 2gsi s LEU 82 N 0.45 3.06 0.00 3.68 1.43 -0.58 -0.51 118.68 126.21 2gsi s LEU 82 Ca 0.23 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 2gsi s LEU 82 Cb -0.15 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.47 2gsi s LEU 82 CO 0.08 -0.86 0.00 -1.54 0.23 0.00 0.00 176.35 174.26 2gsi n SER 82 N -1.64 0.00 -4.78 2.29 3.41 -1.14 -1.89 113.62 109.87 2gsi n SER 82 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.27 2gsi n SER 82 Cb 0.63 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2gsi n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2gsi s LEU 82 N 0.00 3.82 0.29 1.04 1.43 -0.30 -4.76 118.68 120.20 2gsi s LEU 82 Ca 0.00 2.17 0.03 0.00 -1.03 0.00 0.00 54.13 55.30 2gsi s LEU 82 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 2gsi s LEU 82 CO 0.00 -1.10 0.17 0.28 0.23 0.00 0.00 176.35 175.92 2gsi s THR 83 N -1.75 0.26 0.52 5.49 -1.32 -1.26 -0.76 115.64 116.82 2gsi s THR 83 Ca 0.70 -2.00 0.32 0.00 -1.21 0.00 0.00 61.69 59.50 2gsi s THR 83 Cb -0.24 -2.51 0.35 0.00 -1.51 0.00 0.00 72.50 68.59 2gsi s THR 83 CO 0.28 0.00 2.20 0.28 -2.21 0.00 0.00 174.62 175.17 2gsi h SER 84 N 2.26 0.00 0.31 8.08 0.02 -1.97 -1.32 113.55 120.93 2gsi h SER 84 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2gsi h SER 84 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2gsi h SER 84 CO 0.51 0.04 0.00 1.21 -1.14 0.00 0.00 176.83 177.45 2gsi n GLU 85 N -3.58 0.44 0.00 3.45 4.07 -1.26 -2.61 120.64 121.15 2gsi n GLU 85 Ca -0.02 0.05 0.08 0.00 -0.06 0.00 0.00 57.16 57.21 2gsi n GLU 85 Cb 0.15 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 29.98 2gsi n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2gsi n ASP 86 N -1.21 1.26 -4.51 4.31 8.00 -0.50 -4.85 116.55 119.06 2gsi n ASP 86 Ca 0.13 -1.13 -0.44 0.00 0.71 0.00 0.00 54.79 54.05 2gsi n ASP 86 Cb 0.15 0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 41.90 2gsi n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2gsi n THR 87 N -0.69 0.13 -3.87 -3.53 -1.04 -1.07 -4.82 114.28 99.39 2gsi n THR 87 Ca 0.05 -0.41 -0.04 0.00 -2.04 0.00 0.00 64.05 61.61 2gsi n THR 87 Cb 0.31 -2.00 0.02 0.00 -1.82 0.00 0.00 70.33 66.84 2gsi n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2gsi s ALA 88 N 8.96 -1.48 -0.14 2.41 0.00 -0.78 -4.73 121.76 126.00 2gsi s ALA 88 Ca 1.08 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 52.60 2gsi s ALA 88 Cb -0.62 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2gsi s ALA 88 CO 0.40 -1.05 0.05 0.08 0.00 0.00 0.00 175.76 175.24 2gsi s VAL 89 N -2.21 4.73 -0.18 0.00 1.01 -0.98 -0.30 120.40 122.48 2gsi s VAL 89 Ca 0.21 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.13 2gsi s VAL 89 Cb -0.03 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.30 2gsi s VAL 89 CO 0.06 0.54 -0.19 -0.31 0.00 0.00 0.00 175.10 175.20 2gsi s TYR 90 N -0.34 2.79 -0.00 5.22 1.51 0.19 -0.96 117.35 125.76 2gsi s TYR 90 Ca 0.09 -1.58 0.01 0.00 -1.01 0.00 0.00 57.07 54.58 2gsi s TYR 90 Cb -0.12 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 2gsi s TYR 90 CO 0.02 -0.78 0.01 0.71 -1.11 0.00 0.00 175.55 174.40 2gsi s TYR 91 N 1.27 3.09 -0.00 2.71 1.51 -0.63 -0.25 117.35 125.05 2gsi s TYR 91 Ca 0.04 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 2gsi s TYR 91 Cb -0.13 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 2gsi s TYR 91 CO -0.12 0.47 0.02 0.00 -1.11 0.00 0.00 175.55 174.81 2gsi s ASN 93 N -1.58 2.88 -0.29 0.00 3.04 -0.48 -0.51 114.94 118.01 2gsi s ASN 93 Ca 0.20 -0.73 -0.28 0.00 0.04 0.00 0.00 52.86 52.08 2gsi s ASN 93 Cb -0.12 -0.79 0.01 0.00 -1.54 0.00 0.00 41.25 38.81 2gsi s ASN 93 CO 0.11 -0.23 1.03 0.00 -3.04 0.00 0.00 177.10 174.97 2gsi s ALA 94 N 1.71 3.56 -0.18 1.71 0.00 -0.56 -0.42 121.76 127.58 2gsi s ALA 94 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 2gsi s ALA 94 Cb -0.16 -3.59 0.05 0.00 0.00 0.00 0.00 23.12 19.42 2gsi s ALA 94 CO -0.07 -1.31 0.47 0.20 0.00 0.00 0.00 175.76 175.05 2gsi s GLY 95 N 1.50 -0.37 -0.28 0.00 0.00 -0.75 -1.04 107.32 106.38 2gsi s GLY 95 Ca 0.44 1.44 -0.17 0.00 0.00 0.00 0.00 44.72 46.42 2gsi s GLY 95 CO 0.12 1.34 0.71 0.54 0.00 0.00 0.00 173.10 175.80 2gsi s VAL 96 N 0.57 0.00 -0.33 1.40 0.11 -1.26 -1.94 120.40 118.95 2gsi s VAL 96 Ca -0.03 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 2gsi s VAL 96 Cb -0.04 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 2gsi s VAL 96 CO -0.03 0.00 0.65 -0.63 -3.33 0.00 0.00 175.10 171.76 2gsi s ILE 97 N 1.42 4.89 0.55 7.04 -1.09 -1.26 -3.90 121.20 128.85 2gsi s ILE 97 Ca -0.08 0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 59.05 2gsi s ILE 97 Cb -0.05 -4.06 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 2gsi s ILE 97 CO -0.16 -0.24 0.86 0.42 -1.23 0.00 0.00 174.94 174.58 2gsi s THR 98 N 2.71 4.28 -0.55 2.92 -4.23 -1.26 -5.00 115.64 114.50 2gsi s THR 98 Ca 0.26 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.94 2gsi s THR 98 Cb -0.15 -3.66 0.44 0.00 1.34 0.00 0.00 72.50 70.47 2gsi s THR 98 CO 0.13 -0.68 1.69 0.23 -0.54 0.00 0.00 174.62 175.45 2gsi n MET 99 N -2.46 3.06 -2.49 3.99 2.81 -1.26 -5.17 117.12 115.60 2gsi n MET 99 Ca 0.03 -3.71 -0.05 0.00 -1.81 0.00 0.00 57.70 52.17 2gsi n MET 99 Cb 0.56 -2.28 -0.02 0.00 -0.71 0.00 0.00 33.22 30.77 2gsi n MET 99 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2gsi n ALA 100 N -0.76 0.15 0.00 3.04 0.00 -1.26 -5.39 120.51 116.29 2gsi n ALA 100 Ca 0.54 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2gsi n ALA 100 Cb 0.70 0.34 0.00 0.00 0.00 0.00 0.00 19.45 20.48 2gsi n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gsi n MET 100 N -0.15 0.00 -3.66 0.00 0.00 -1.25 -5.10 117.12 106.96 2gsi n MET 100 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.58 2gsi n MET 100 Cb 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.27 2gsi n MET 100 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2gsi s ASP 101 N 0.00 -0.68 0.11 3.17 -1.08 -1.26 -4.12 116.67 112.82 2gsi s ASP 101 Ca 0.00 1.29 0.08 0.00 -0.52 0.00 0.00 52.55 53.40 2gsi s ASP 101 Cb 0.00 1.29 -0.04 0.00 -1.46 0.00 0.00 42.92 42.72 2gsi s ASP 101 CO 0.00 -0.22 -0.21 -0.31 0.52 0.00 0.00 175.17 174.95 2gsi s TYR 102 N 0.46 1.84 -0.01 -5.34 1.51 -0.21 -5.03 117.35 110.57 2gsi s TYR 102 Ca -0.01 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 2gsi s TYR 102 Cb -0.05 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2gsi s TYR 102 CO -0.01 0.24 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.98 2gsi s TRP 103 N -1.30 1.01 0.63 2.71 0.52 -1.26 -1.49 118.94 119.76 2gsi s TRP 103 Ca 0.09 -0.19 -0.12 0.00 0.02 0.00 0.00 56.10 55.89 2gsi s TRP 103 Cb -0.09 -0.65 -0.02 0.00 -1.15 0.00 0.00 33.47 31.55 2gsi s TRP 103 CO 0.05 -0.02 1.04 0.20 0.02 0.00 0.00 176.95 178.24 2gsi s GLY 104 N -0.27 1.78 0.00 0.98 0.00 0.33 -4.37 107.32 105.76 2gsi s GLY 104 Ca 0.04 0.08 0.19 0.00 0.00 0.00 0.00 44.72 45.03 2gsi s GLY 104 CO -0.00 0.37 1.56 0.61 0.00 0.00 0.00 173.10 175.63 2gsi n GLN 105 N -2.66 0.32 0.00 2.90 0.00 -1.26 -4.65 117.38 112.03 2gsi n GLN 105 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 57.00 57.16 2gsi n GLN 105 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.28 2gsi n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gsi n GLY 106 N 0.26 -0.23 3.06 2.61 0.00 -1.26 -5.00 105.19 104.64 2gsi n GLY 106 Ca 0.10 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2gsi n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gsi s THR 107 N -3.00 1.49 -0.37 2.61 2.01 0.66 -4.84 115.64 114.20 2gsi s THR 107 Ca 0.00 -0.65 -0.24 0.00 0.31 0.00 0.00 61.69 61.11 2gsi s THR 107 Cb 0.00 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 71.17 2gsi s THR 107 CO 0.00 0.44 0.83 0.28 -0.69 0.00 0.00 174.62 175.48 2gsi s THR 108 N 0.91 4.68 -0.20 -0.82 -1.32 -1.26 0.56 115.64 118.19 2gsi s THR 108 Ca -0.08 0.96 -0.11 0.00 -1.21 0.00 0.00 61.69 61.25 2gsi s THR 108 Cb -0.15 -4.25 -0.05 0.00 -1.51 0.00 0.00 72.50 66.53 2gsi s THR 108 CO -0.00 -0.48 0.17 -0.69 -2.21 0.00 0.00 174.62 171.40 2gsi s VAL 109 N 3.23 5.38 -0.21 5.08 1.01 0.59 -1.19 120.40 134.29 2gsi s VAL 109 Ca 0.33 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2gsi s VAL 109 Cb -0.13 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.78 2gsi s VAL 109 CO 0.18 0.41 -0.16 -0.89 0.00 0.00 0.00 175.10 174.64 2gsi s THR 110 N 0.53 2.19 -0.51 3.92 2.01 0.59 -1.87 115.64 122.50 2gsi s THR 110 Ca 0.09 -1.17 -0.17 0.00 0.31 0.00 0.00 61.69 60.75 2gsi s THR 110 Cb -0.12 -2.06 0.09 0.00 0.01 0.00 0.00 72.50 70.42 2gsi s THR 110 CO 0.00 0.32 0.49 -0.89 -0.69 0.00 0.00 174.62 173.86 2gsi s THR 111 N 1.23 5.13 0.01 -0.82 2.01 -1.26 -1.79 115.64 120.15 2gsi s THR 111 Ca -0.00 -1.08 -0.13 0.00 0.31 0.00 0.00 61.69 60.79 2gsi s THR 111 Cb -0.16 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.12 2gsi s THR 111 CO -0.09 -0.75 0.28 -0.55 -0.69 0.00 0.00 174.62 172.81 2gsi s SER 112 N 2.99 -0.12 0.00 3.53 0.15 -1.01 -4.79 113.70 114.44 2gsi s SER 112 Ca 0.06 -0.08 0.22 0.00 0.70 0.00 0.00 55.95 56.86 2gsi s SER 112 Cb -0.25 0.31 0.45 0.00 -1.71 0.00 0.00 66.02 64.82 2gsi s SER 112 CO 0.06 -0.50 1.40 -0.24 1.20 0.00 0.00 173.24 175.17 2gsi n SER 113 N 1.02 3.51 -4.05 5.45 2.88 -1.26 -3.84 113.62 117.33 2gsi n SER 113 Ca -0.21 -1.98 -0.30 0.00 -1.33 0.00 0.00 58.87 55.06 2gsi n SER 113 Cb 0.57 -0.29 0.21 0.00 -0.75 0.00 0.00 64.21 63.95 2gsi n SER 113 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gsi s ALA 114 N -1.36 1.40 0.05 -1.46 0.00 -1.26 -5.07 121.76 114.06 2gsi s ALA 114 Ca 0.39 -1.01 0.09 0.00 0.00 0.00 0.00 51.96 51.43 2gsi s ALA 114 Cb 0.22 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2gsi s ALA 114 CO 0.31 -2.98 -0.24 0.15 0.00 0.00 0.00 175.76 173.00 2gsi s LYS 115 N -5.59 1.63 -0.03 0.00 1.02 -1.26 -5.04 119.74 110.46 2gsi s LYS 115 Ca 0.71 -1.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.34 2gsi s LYS 115 Cb -0.08 -1.79 -0.10 0.00 -0.52 0.00 0.00 37.83 35.35 2gsi s LYS 115 CO 0.54 0.46 1.97 2.41 -0.92 0.00 0.00 175.35 179.82 2gsi n THR 116 N 1.78 0.67 -4.19 2.17 -1.04 -1.26 -4.69 114.28 107.72 2gsi n THR 116 Ca -0.17 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.05 61.42 2gsi n THR 116 Cb 0.52 -2.18 -0.17 0.00 -1.82 0.00 0.00 70.33 66.69 2gsi n THR 116 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2gsi s THR 117 N 4.73 1.12 0.68 12.58 2.01 0.13 -4.94 115.64 131.95 2gsi s THR 117 Ca 0.92 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.41 2gsi s THR 117 Cb -0.52 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 70.91 2gsi s THR 117 CO 0.45 0.37 1.06 -2.16 -0.69 0.00 0.00 174.62 173.65 2gsi s PRO 118 N 1.27 3.03 0.76 4.92 0.04 -1.26 0.08 135.00 143.84 2gsi s PRO 118 Ca -0.03 0.88 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 2gsi s PRO 118 Cb -0.14 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2gsi s PRO 118 CO -0.04 -1.01 1.09 -1.25 0.04 0.00 0.00 177.00 175.84 2gsi s PRO 119 N -5.09 2.37 -0.21 0.56 0.04 -1.26 -4.22 135.00 127.19 2gsi s PRO 119 Ca 0.57 0.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.17 2gsi s PRO 119 Cb -0.13 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2gsi s PRO 119 CO 0.55 -1.41 0.01 -1.12 0.04 0.00 0.00 177.00 175.06 2gsi s SER 120 N -4.03 4.86 -0.27 6.66 0.01 0.23 -4.92 113.70 116.23 2gsi s SER 120 Ca 0.60 -0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.54 2gsi s SER 120 Cb -0.13 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 2gsi s SER 120 CO 0.54 0.05 0.18 -0.69 0.41 0.00 0.00 173.24 173.73 2gsi s VAL 121 N 1.09 5.33 -0.06 3.43 1.01 -1.26 -1.07 120.40 128.87 2gsi s VAL 121 Ca 0.03 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2gsi s VAL 121 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2gsi s VAL 121 CO 0.02 0.28 -0.25 -0.31 0.00 0.00 0.00 175.10 174.84 2gsi s TYR 122 N 1.54 2.44 0.47 5.22 2.02 0.62 -4.95 117.35 124.71 2gsi s TYR 122 Ca 0.07 -0.71 -0.19 0.00 -0.37 0.00 0.00 57.07 55.87 2gsi s TYR 122 Cb -0.15 -1.60 -0.10 0.00 -0.40 0.00 0.00 41.96 39.71 2gsi s TYR 122 CO 0.09 -0.21 0.97 -1.25 -1.57 0.00 0.00 175.55 173.58 2gsi s PRO 123 N -0.18 4.09 -0.33 -1.71 0.04 -1.26 0.46 135.00 136.11 2gsi s PRO 123 Ca -0.03 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.08 2gsi s PRO 123 Cb -0.14 -2.16 0.11 0.00 0.04 0.00 0.00 34.50 32.35 2gsi s PRO 123 CO 0.04 -0.16 0.12 -0.51 0.04 0.00 0.00 177.00 176.53 2gsi s LEU 124 N -3.54 2.41 -0.06 -3.56 1.43 0.43 -4.80 118.68 110.99 2gsi s LEU 124 Ca 0.61 -1.82 0.05 0.00 -1.03 0.00 0.00 54.13 51.94 2gsi s LEU 124 Cb -0.10 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2gsi s LEU 124 CO 0.20 -0.39 -0.20 0.00 0.23 0.00 0.00 176.35 176.20 2gsi s ALA 125 N 1.38 2.40 0.00 4.21 0.00 -1.26 -1.81 121.76 126.68 2gsi s ALA 125 Ca 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2gsi s ALA 125 Cb -0.19 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.11 2gsi s ALA 125 CO -0.20 0.47 0.00 -0.35 0.00 0.00 0.00 175.76 175.68 2gsi n PRO 126 N 2.67 0.00 0.00 0.00 -0.04 -1.26 -4.87 135.00 131.49 2gsi n PRO 126 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 2gsi n PRO 126 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2gsi n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gsi n SER 136 N 0.00 0.00 -4.50 3.54 2.88 -1.26 -4.74 113.62 109.54 2gsi n SER 136 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 2gsi n SER 136 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2gsi n SER 136 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2gsi s MET 137 N 0.00 1.73 -0.01 -1.46 1.00 -1.26 -1.00 119.30 118.29 2gsi s MET 137 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 55.69 53.63 2gsi s MET 137 Cb 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 34.83 33.63 2gsi s MET 137 CO 0.00 -0.07 0.24 0.54 0.00 0.00 0.00 175.02 175.73 2gsi s VAL 138 N -3.02 0.06 -0.11 -6.03 0.11 0.18 -4.70 120.40 106.90 2gsi s VAL 138 Ca 0.34 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 2gsi s VAL 138 Cb 0.07 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2gsi s VAL 138 CO 0.15 -0.28 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.64 2gsi s THR 139 N -1.23 3.31 0.16 5.04 2.01 -1.26 -0.19 115.64 123.49 2gsi s THR 139 Ca -0.13 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.35 2gsi s THR 139 Cb -0.06 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 2gsi s THR 139 CO 0.03 0.54 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.61 2gsi s LEU 140 N -0.06 2.50 0.35 4.42 1.43 0.10 -4.57 118.68 122.86 2gsi s LEU 140 Ca -0.01 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.01 2gsi s LEU 140 Cb -0.14 -0.56 0.03 0.00 0.03 0.00 0.00 46.19 45.55 2gsi s LEU 140 CO 0.03 -0.20 0.66 -0.83 0.23 0.00 0.00 176.35 176.24 2gsi s GLY 141 N -3.02 0.70 0.08 -3.19 0.00 -0.75 0.34 107.32 101.49 2gsi s GLY 141 Ca 0.17 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2gsi s GLY 141 CO 0.04 -0.54 -0.09 0.00 0.00 0.00 0.00 173.10 172.51 2gsi s LEU 143 N -2.21 3.25 -0.31 0.00 2.96 0.17 -1.95 118.68 120.59 2gsi s LEU 143 Ca 0.01 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2gsi s LEU 143 Cb -0.04 -1.76 0.07 0.00 0.50 0.00 0.00 46.19 44.96 2gsi s LEU 143 CO -0.01 0.22 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.55 2gsi s VAL 144 N 0.04 2.53 -0.04 1.68 1.01 -0.64 -0.28 120.40 124.70 2gsi s VAL 144 Ca 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 61.98 60.25 2gsi s VAL 144 Cb -0.13 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2gsi s VAL 144 CO 0.03 -0.26 -0.21 -0.75 0.00 0.00 0.00 175.10 173.91 2gsi s LYS 145 N 1.10 2.36 -1.09 2.72 2.20 -0.24 -1.33 119.74 125.46 2gsi s LYS 145 Ca -0.01 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 2gsi s LYS 145 Cb -0.20 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 2gsi s LYS 145 CO -0.05 0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.90 2gsi n GLY 146 N 2.49 -0.05 3.97 5.54 0.00 0.79 -0.60 105.19 117.33 2gsi n GLY 146 Ca -0.17 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 2gsi n GLY 146 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2gsi s TYR 147 N -2.62 2.52 -0.28 1.61 1.13 -1.17 -4.64 117.35 113.91 2gsi s TYR 147 Ca 0.00 0.02 -0.26 0.00 -1.41 0.00 0.00 57.07 55.43 2gsi s TYR 147 Cb 0.00 -2.94 0.15 0.00 -1.10 0.00 0.00 41.96 38.07 2gsi s TYR 147 CO 0.00 -1.24 1.20 0.12 -2.51 0.00 0.00 175.55 173.11 2gsi s PHE 148 N -2.99 -0.29 0.47 -3.49 5.36 0.11 -1.47 117.98 115.68 2gsi s PHE 148 Ca 0.61 0.67 -0.07 0.00 -0.96 0.00 0.00 56.93 57.18 2gsi s PHE 148 Cb -0.09 0.42 0.11 0.00 -0.34 0.00 0.00 43.02 43.12 2gsi s PHE 148 CO 0.42 -0.16 0.64 -0.35 -1.46 0.00 0.00 175.22 174.31 2gsi n PRO 149 N 1.74 -0.56 -1.76 10.12 -0.04 -1.26 0.20 135.00 143.44 2gsi n PRO 149 Ca -0.11 -1.04 -0.31 0.00 -0.04 0.00 0.00 63.50 62.00 2gsi n PRO 149 Cb 0.57 -0.64 0.03 0.00 -0.04 0.00 0.00 33.50 33.41 2gsi n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2gsi s GLU 150 N -4.37 3.31 0.63 0.54 0.41 -1.26 -4.76 118.70 113.19 2gsi s GLU 150 Ca 0.37 0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 55.75 2gsi s GLU 150 Cb -0.01 -2.04 0.04 0.00 -1.78 0.00 0.00 34.13 30.34 2gsi s GLU 150 CO 0.26 -0.80 0.92 -1.25 -0.49 0.00 0.00 175.26 173.89 2gsi s PRO 151 N -5.04 2.50 0.26 0.39 0.04 -1.26 -4.91 135.00 126.97 2gsi s PRO 151 Ca 0.57 -0.32 0.12 0.00 0.04 0.00 0.00 61.00 61.41 2gsi s PRO 151 Cb -0.12 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 2gsi s PRO 151 CO 0.53 -0.94 -0.18 0.14 0.04 0.00 0.00 177.00 176.59 2gsi s VAL 152 N -3.04 2.58 -0.07 -0.36 -7.23 -1.26 -4.55 120.40 106.46 2gsi s VAL 152 Ca 0.57 -2.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2gsi s VAL 152 Cb -0.11 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.51 2gsi s VAL 152 CO 0.43 -0.34 -0.18 0.42 -0.31 0.00 0.00 175.10 175.13 2gsi s THR 153 N -2.32 1.55 -0.24 5.32 -4.23 -0.45 -4.96 115.64 110.31 2gsi s THR 153 Ca 0.28 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 60.02 2gsi s THR 153 Cb -0.06 -1.36 -0.00 0.00 1.34 0.00 0.00 72.50 72.42 2gsi s THR 153 CO 0.15 0.45 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.97 2gsi s VAL 154 N 0.43 3.56 0.45 2.29 1.01 -1.26 -1.30 120.40 125.58 2gsi s VAL 154 Ca -0.14 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2gsi s VAL 154 Cb -0.16 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2gsi s VAL 154 CO 0.05 0.33 0.38 0.42 0.00 0.00 0.00 175.10 176.28 2gsi s THR 156 N 1.49 2.41 -0.09 3.92 -4.23 -1.04 -4.97 115.64 113.13 2gsi s THR 156 Ca 0.05 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2gsi s THR 156 Cb -0.15 -2.80 0.01 0.00 1.34 0.00 0.00 72.50 70.90 2gsi s THR 156 CO -0.01 0.00 -0.14 0.26 -0.54 0.00 0.00 174.62 174.18 2gsi s TRP 157 N -2.55 1.75 -1.48 3.99 0.52 -1.25 -2.03 118.94 117.89 2gsi s TRP 157 Ca 0.45 -0.73 -0.01 0.00 0.02 0.00 0.00 56.10 55.84 2gsi s TRP 157 Cb -0.02 -1.26 0.00 0.00 -1.15 0.00 0.00 33.47 31.04 2gsi s TRP 157 CO 0.26 -0.37 0.24 0.09 0.02 0.00 0.00 176.95 177.20 2gsi n ASN 162 N 3.98 0.19 -3.19 2.95 3.02 0.26 -1.88 115.26 120.60 2gsi n ASN 162 Ca -0.21 -1.13 -0.23 0.00 -0.03 0.00 0.00 54.58 52.99 2gsi n ASN 162 Cb 0.52 -2.40 0.03 0.00 -0.61 0.00 0.00 39.78 37.31 2gsi n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2gsi n SER 163 N -2.94 -5.58 0.00 6.41 7.64 -1.26 -2.26 113.62 115.63 2gsi n SER 163 Ca -0.31 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.22 2gsi n SER 163 Cb 0.69 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 2gsi n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gsi n GLY 164 N -1.50 2.96 0.25 0.23 0.00 -0.79 -4.91 105.19 101.43 2gsi n GLY 164 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 2gsi n GLY 164 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2gsi h SER 165 N 0.12 0.24 -3.24 1.61 0.02 -1.38 -3.38 113.55 107.54 2gsi h SER 165 Ca 0.00 -0.04 -0.61 0.00 -0.84 0.00 0.00 61.79 60.30 2gsi h SER 165 Cb 0.00 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 62.35 2gsi h SER 165 CO 0.00 0.34 -0.51 -0.22 -1.14 0.00 0.00 176.83 175.30 2gsi s LEU 166 N -8.91 4.13 0.00 5.07 2.96 -0.81 -4.85 118.68 116.27 2gsi s LEU 166 Ca -0.06 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2gsi s LEU 166 Cb 0.16 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.79 2gsi s LEU 166 CO 0.73 0.19 0.00 -1.54 -1.32 0.00 0.00 176.35 174.41 2gsi n SER 167 N 3.42 0.00 -4.55 3.68 3.41 -1.26 -3.78 113.62 114.54 2gsi n SER 167 Ca -0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.02 2gsi n SER 167 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 2gsi n SER 167 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2gsi s SER 168 N 0.00 6.43 0.00 4.04 0.15 -1.26 -3.44 113.70 119.62 2gsi s SER 168 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 2gsi s SER 168 Cb 0.00 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2gsi s SER 168 CO 0.00 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2gsi n GLY 169 N 4.85 0.75 3.63 9.45 0.00 -1.26 -4.78 105.19 117.83 2gsi n GLY 169 Ca 0.01 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 2gsi n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gsi s VAL 171 N -2.00 5.05 -0.16 1.61 1.01 -1.22 -0.62 120.40 124.06 2gsi s VAL 171 Ca 0.00 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 2gsi s VAL 171 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2gsi s VAL 171 CO 0.00 0.09 -0.04 -1.00 0.00 0.00 0.00 175.10 174.15 2gsi s HIS 172 N 2.18 3.00 -0.09 5.22 3.76 0.17 -4.96 115.29 124.56 2gsi s HIS 172 Ca 0.24 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.74 2gsi s HIS 172 Cb -0.16 -1.97 0.02 0.00 1.11 0.00 0.00 32.58 31.59 2gsi s HIS 172 CO 0.09 -0.12 -0.05 0.99 -0.85 0.00 0.00 174.74 174.80 2gsi s THR 173 N 0.52 0.80 0.17 1.30 2.01 -1.26 0.72 115.64 119.90 2gsi s THR 173 Ca -0.04 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 2gsi s THR 173 Cb -0.14 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2gsi s THR 173 CO 0.03 0.32 0.39 -0.36 -0.69 0.00 0.00 174.62 174.31 2gsi s PHE 174 N 1.63 3.48 0.21 4.92 0.40 -1.07 -5.04 117.98 122.50 2gsi s PHE 174 Ca 0.02 0.51 -0.32 0.00 -0.60 0.00 0.00 56.93 56.54 2gsi s PHE 174 Cb -0.13 -1.98 -0.13 0.00 0.51 0.00 0.00 43.02 41.29 2gsi s PHE 174 CO -0.06 0.40 1.51 -2.30 0.70 0.00 0.00 175.22 175.47 2gsi n PRO 175 N -0.17 2.16 -1.66 0.24 -0.02 -1.26 -4.61 135.00 129.68 2gsi n PRO 175 Ca -0.03 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 2gsi n PRO 175 Cb 0.52 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 2gsi n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gsi n ALA 176 N 2.68 0.80 -2.54 3.55 0.00 -1.26 -4.82 120.51 118.92 2gsi n ALA 176 Ca 0.14 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.64 2gsi n ALA 176 Cb 0.31 -2.18 -0.11 0.00 0.00 0.00 0.00 19.45 17.46 2gsi n ALA 176 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gsi s VAL 177 N -0.94 3.26 0.01 0.00 -7.23 0.36 -4.92 120.40 110.93 2gsi s VAL 177 Ca 0.58 -1.00 -0.22 0.00 -1.81 0.00 0.00 61.98 59.53 2gsi s VAL 177 Cb -0.62 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 2gsi s VAL 177 CO 0.60 0.34 0.66 -0.22 -0.31 0.00 0.00 175.10 176.17 2gsi s LEU 178 N -1.51 4.42 -0.30 1.32 2.96 -1.26 -0.81 118.68 123.50 2gsi s LEU 178 Ca 0.17 1.26 -0.19 0.00 -0.22 0.00 0.00 54.13 55.15 2gsi s LEU 178 Cb -0.11 -3.03 0.19 0.00 0.50 0.00 0.00 46.19 43.74 2gsi s LEU 178 CO 0.07 0.06 1.26 -1.58 -1.32 0.00 0.00 176.35 174.84 2gsi s GLN 179 N -0.08 0.12 -0.37 1.98 2.00 -0.12 -4.93 119.66 118.26 2gsi s GLN 179 Ca 0.34 0.18 0.00 0.00 -2.00 0.00 0.00 55.36 53.88 2gsi s GLN 179 Cb -0.19 0.03 0.00 0.00 0.80 0.00 0.00 33.01 33.66 2gsi s GLN 179 CO 0.19 -0.02 0.00 0.43 -0.50 0.00 0.00 175.29 175.39 2gsi n SER 180 N 2.75 -3.63 -0.35 6.67 7.64 -1.26 -3.57 113.62 121.87 2gsi n SER 180 Ca -0.15 0.09 -0.05 0.00 1.01 0.00 0.00 58.87 59.77 2gsi n SER 180 Cb 0.57 -1.44 -0.02 0.00 -1.01 0.00 0.00 64.21 62.31 2gsi n SER 180 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2gsi n ASP 183 N 0.76 -4.08 -4.39 6.43 8.00 -1.26 -5.02 116.55 116.99 2gsi n ASP 183 Ca -0.03 0.11 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 2gsi n ASP 183 Cb 0.15 -1.98 -0.10 0.00 -0.02 0.00 0.00 41.12 39.16 2gsi n ASP 183 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gsi s LEU 184 N -1.03 2.08 0.33 0.64 1.43 -1.23 -4.98 118.68 115.91 2gsi s LEU 184 Ca 0.00 -1.33 -0.04 0.00 -1.03 0.00 0.00 54.13 51.73 2gsi s LEU 184 Cb 0.00 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.89 2gsi s LEU 184 CO 0.00 -0.60 0.59 -0.31 0.23 0.00 0.00 176.35 176.26 2gsi s TYR 185 N -3.41 3.49 -0.03 0.29 2.02 -0.54 -0.94 117.35 118.22 2gsi s TYR 185 Ca 0.35 0.63 -0.00 0.00 -0.37 0.00 0.00 57.07 57.67 2gsi s TYR 185 Cb 0.08 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2gsi s TYR 185 CO 0.13 0.09 0.02 0.99 -1.57 0.00 0.00 175.55 175.21 2gsi s THR 186 N -2.22 0.09 0.07 -0.71 2.01 0.01 -0.15 115.64 114.74 2gsi s THR 186 Ca 0.44 0.18 0.01 0.00 0.31 0.00 0.00 61.69 62.63 2gsi s THR 186 Cb -0.10 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.18 2gsi s THR 186 CO 0.33 0.15 0.06 0.00 -0.69 0.00 0.00 174.62 174.47 2gsi n LEU 187 N 4.41 0.00 -3.60 4.42 -0.00 -0.44 -0.49 117.00 121.30 2gsi n LEU 187 Ca -0.22 -0.65 -0.05 0.00 -0.00 0.00 0.00 56.01 55.09 2gsi n LEU 187 Cb 0.50 0.37 -0.02 0.00 -0.00 0.00 0.00 43.42 44.28 2gsi n LEU 187 CO 0.19 -0.11 0.83 -0.94 -0.00 0.00 0.00 177.39 177.35 2gsi s SER 188 N -1.48 -0.22 0.02 1.45 1.04 -1.26 -1.62 113.70 111.63 2gsi s SER 188 Ca 0.08 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.43 2gsi s SER 188 Cb 0.00 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 2gsi s SER 188 CO 0.06 -0.55 -0.11 -0.55 0.98 0.00 0.00 173.24 173.06 2gsi s SER 189 N -2.60 1.33 0.09 7.02 0.15 -0.82 -2.59 113.70 116.28 2gsi s SER 189 Ca 0.09 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.47 2gsi s SER 189 Cb -0.00 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 2gsi s SER 189 CO -0.05 0.05 -0.06 -0.94 1.20 0.00 0.00 173.24 173.45 2gsi s SER 190 N -0.74 4.64 0.00 5.45 1.04 0.22 -2.50 113.70 121.81 2gsi s SER 190 Ca 0.01 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2gsi s SER 190 Cb -0.06 -0.99 -0.00 0.00 0.10 0.00 0.00 66.02 65.07 2gsi s SER 190 CO 0.00 0.19 -0.01 0.54 0.98 0.00 0.00 173.24 174.94 2gsi s VAL 191 N -1.23 0.05 -0.20 5.02 0.11 0.15 0.43 120.40 124.72 2gsi s VAL 191 Ca 0.23 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 2gsi s VAL 191 Cb -0.11 -0.05 0.03 0.00 -1.53 0.00 0.00 36.38 34.72 2gsi s VAL 191 CO 0.15 -0.00 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.86 2gsi s THR 192 N -0.06 2.03 0.27 5.04 2.01 0.21 0.02 115.64 125.16 2gsi s THR 192 Ca -0.00 -1.14 0.10 0.00 0.31 0.00 0.00 61.69 60.96 2gsi s THR 192 Cb -0.01 -1.95 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 2gsi s THR 192 CO -0.00 0.33 -0.15 0.68 -0.69 0.00 0.00 174.62 174.79 2gsi s VAL 193 N 1.25 2.17 0.16 3.82 -7.23 0.74 -4.79 120.40 116.52 2gsi s VAL 193 Ca 0.00 -2.30 -0.30 0.00 -1.81 0.00 0.00 61.98 57.57 2gsi s VAL 193 Cb -0.15 -2.31 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 2gsi s VAL 193 CO -0.10 -0.41 1.28 -2.84 -0.31 0.00 0.00 175.10 172.73 2gsi s PRO 194 N -3.58 4.41 0.00 4.82 0.02 -1.26 0.50 135.00 139.90 2gsi s PRO 194 Ca 0.28 1.98 0.01 0.00 0.02 0.00 0.00 61.00 63.30 2gsi s PRO 194 Cb -0.02 -3.23 0.08 0.00 0.02 0.00 0.00 34.50 31.35 2gsi s PRO 194 CO 0.13 -0.25 0.54 -1.13 -0.33 0.00 0.00 177.00 175.96 2gsi n SER 195 N 2.98 0.00 0.06 2.53 3.41 -0.17 -0.04 113.62 122.39 2gsi n SER 195 Ca 0.07 -0.89 -0.23 0.00 -0.26 0.00 0.00 58.87 57.56 2gsi n SER 195 Cb 0.44 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 2gsi n SER 195 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2gsi h SER 196 N 0.00 0.59 0.37 4.04 4.64 -1.90 -3.38 113.55 117.91 2gsi h SER 196 Ca 0.00 -0.94 -0.02 0.00 -0.47 0.00 0.00 61.79 60.35 2gsi h SER 196 Cb 0.00 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 2gsi h SER 196 CO 0.00 1.81 -0.11 0.71 -0.87 0.00 0.00 176.83 178.37 2gsi h THR 198 N 0.10 0.53 -3.72 2.95 1.35 -0.84 -3.38 112.91 109.91 2gsi h THR 198 Ca -0.36 -0.50 -0.28 0.00 -0.55 0.00 0.00 66.41 64.71 2gsi h THR 198 Cb 2.09 1.33 -0.30 0.00 -1.73 0.00 0.00 68.15 69.55 2gsi h THR 198 CO 0.17 0.11 -0.73 0.86 -0.25 0.00 0.00 175.52 175.67 2gsi s TRP 199 N -4.19 0.19 -1.90 4.73 -0.00 -1.23 -0.31 118.94 116.22 2gsi s TRP 199 Ca -0.03 -0.01 0.08 0.00 -0.00 0.00 0.00 56.10 56.14 2gsi s TRP 199 Cb 0.13 -0.18 0.23 0.00 -0.00 0.00 0.00 33.47 33.65 2gsi s TRP 199 CO 0.58 -0.03 1.17 -0.35 -0.00 0.00 0.00 176.95 178.31 2gsi n PRO 200 N 3.33 1.64 -0.17 5.86 -0.05 -1.26 -4.71 135.00 139.64 2gsi n PRO 200 Ca -0.16 -0.92 0.19 0.00 -0.05 0.00 0.00 63.50 62.56 2gsi n PRO 200 Cb 0.57 -1.24 0.57 0.00 -0.05 0.00 0.00 33.50 33.35 2gsi n PRO 200 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 2gsi h SER 202 N 1.46 0.28 -3.29 3.54 0.02 -1.73 -3.35 113.55 110.48 2gsi h SER 202 Ca 0.00 0.02 -0.55 0.00 -0.84 0.00 0.00 61.79 60.43 2gsi h SER 202 Cb 0.39 -0.03 -0.35 0.00 0.14 0.00 0.00 62.40 62.55 2gsi h SER 202 CO 0.01 0.13 -0.82 -1.10 -1.14 0.00 0.00 176.83 173.91 2gsi s GLN 203 N -5.29 1.85 0.13 3.45 -0.21 0.57 -5.09 119.66 115.07 2gsi s GLN 203 Ca -0.07 -0.42 -0.35 0.00 0.02 0.00 0.00 55.36 54.54 2gsi s GLN 203 Cb 0.21 -1.65 -0.16 0.00 1.00 0.00 0.00 33.01 32.41 2gsi s GLN 203 CO 0.77 -0.10 1.23 0.25 -2.12 0.00 0.00 175.29 175.32 2gsi n THR 204 N 4.31 0.46 -3.95 -0.19 -2.24 -1.26 -4.43 114.28 106.98 2gsi n THR 204 Ca -0.18 -0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.13 2gsi n THR 204 Cb 0.51 -0.79 -0.14 0.00 -2.10 0.00 0.00 70.33 67.81 2gsi n THR 204 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2gsi s VAL 205 N 0.12 3.07 0.00 2.28 1.01 -1.26 -5.02 120.40 120.59 2gsi s VAL 205 Ca 0.79 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2gsi s VAL 205 Cb -0.92 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2gsi s VAL 205 CO 0.50 0.40 -0.24 -0.89 0.00 0.00 0.00 175.10 174.87 2gsi s THR 206 N 1.42 2.30 -0.09 3.92 2.01 -1.26 -2.05 115.64 121.89 2gsi s THR 206 Ca 0.05 -1.15 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 2gsi s THR 206 Cb -0.14 -1.86 -0.03 0.00 0.01 0.00 0.00 72.50 70.48 2gsi s THR 206 CO -0.05 0.49 -0.07 0.00 -0.69 0.00 0.00 174.62 174.29 2gsi s ASN 209 N -0.43 5.05 -0.15 0.00 -0.87 -0.86 -1.57 114.94 116.11 2gsi s ASN 209 Ca 0.06 0.03 -0.01 0.00 -1.57 0.00 0.00 52.86 51.37 2gsi s ASN 209 Cb -0.12 -1.58 0.04 0.00 -0.02 0.00 0.00 41.25 39.57 2gsi s ASN 209 CO 0.02 0.29 -0.02 -0.69 -2.57 0.00 0.00 177.10 174.13 2gsi s VAL 210 N -0.35 0.83 -0.19 1.60 1.01 0.14 -2.50 120.40 120.93 2gsi s VAL 210 Ca 0.06 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 2gsi s VAL 210 Cb -0.12 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2gsi s VAL 210 CO 0.02 0.10 0.09 0.00 0.00 0.00 0.00 175.10 175.31 2gsi s ALA 211 N 1.76 3.47 -0.58 5.51 0.00 -0.42 -0.68 121.76 130.82 2gsi s ALA 211 Ca 0.02 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.27 2gsi s ALA 211 Cb -0.15 -2.02 0.28 0.00 0.00 0.00 0.00 23.12 21.23 2gsi s ALA 211 CO -0.07 0.10 0.77 1.58 0.00 0.00 0.00 175.76 178.14 2gsi n HIS 212 N 3.67 3.08 -0.33 0.00 -0.00 -0.27 -1.34 115.22 120.05 2gsi n HIS 212 Ca -0.16 -4.03 0.19 0.00 0.46 0.00 0.00 57.72 54.18 2gsi n HIS 212 Cb 0.52 -0.51 0.37 0.00 -0.12 0.00 0.00 29.99 30.26 2gsi n HIS 212 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2gsi h PRO 213 N 3.80 0.06 -0.90 1.57 0.11 -1.80 0.30 132.00 135.13 2gsi h PRO 213 Ca 0.16 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.47 2gsi h PRO 213 Cb 0.66 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.69 2gsi h PRO 213 CO 0.77 0.04 0.60 0.00 -0.21 0.00 0.00 178.00 179.19 2gsi h ALA 214 N 1.94 2.18 -0.33 -0.75 0.00 -1.93 0.60 119.26 120.96 2gsi h ALA 214 Ca 0.66 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.59 2gsi h ALA 214 Cb 1.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2gsi h ALA 214 CO -0.82 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 176.84 2gsi n SER 215 N -4.52 3.23 -3.81 0.00 3.41 0.10 -4.97 113.62 107.06 2gsi n SER 215 Ca 0.19 -1.94 -0.28 0.00 -0.26 0.00 0.00 58.87 56.59 2gsi n SER 215 Cb 0.69 -0.21 0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2gsi n SER 215 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2gsi n SER 216 N 1.30 -4.81 -4.62 4.04 7.64 0.21 -5.00 113.62 112.38 2gsi n SER 216 Ca 0.17 -0.72 -0.33 0.00 1.01 0.00 0.00 58.87 59.00 2gsi n SER 216 Cb 0.55 -4.20 -0.10 0.00 -1.01 0.00 0.00 64.21 59.46 2gsi n SER 216 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2gsi s THR 217 N -3.34 3.83 -0.04 0.44 -4.23 -1.22 -5.00 115.64 106.07 2gsi s THR 217 Ca 0.57 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 60.42 2gsi s THR 217 Cb -0.28 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 70.91 2gsi s THR 217 CO 0.80 0.42 -0.06 -0.54 -0.54 0.00 0.00 174.62 174.70 2gsi s LYS 218 N -1.38 0.91 -0.16 3.99 1.02 -1.26 -1.11 119.74 121.76 2gsi s LYS 218 Ca 0.17 -0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.01 2gsi s LYS 218 Cb -0.11 -0.87 0.02 0.00 -0.52 0.00 0.00 37.83 36.34 2gsi s LYS 218 CO 0.07 -0.04 -0.18 0.08 -0.92 0.00 0.00 175.35 174.37 2gsi s VAL 219 N 0.75 1.87 -0.10 3.17 1.01 0.14 -4.94 120.40 122.31 2gsi s VAL 219 Ca -0.11 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 2gsi s VAL 219 Cb -0.13 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2gsi s VAL 219 CO 0.01 0.51 0.29 -1.81 0.00 0.00 0.00 175.10 174.10 2gsi s ASP 220 N 1.23 6.54 -0.05 3.32 1.01 -1.26 0.27 116.67 127.72 2gsi s ASP 220 Ca 0.02 0.64 -0.02 0.00 0.71 0.00 0.00 52.55 53.90 2gsi s ASP 220 Cb -0.14 -2.18 0.03 0.00 1.01 0.00 0.00 42.92 41.65 2gsi s ASP 220 CO -0.09 0.24 0.05 -0.75 0.21 0.00 0.00 175.17 174.83 2gsi s LYS 221 N -0.36 0.05 0.12 8.23 2.47 -0.61 -5.00 119.74 124.64 2gsi s LYS 221 Ca 0.18 0.32 -0.22 0.00 -1.56 0.00 0.00 55.97 54.70 2gsi s LYS 221 Cb -0.14 -0.63 -0.07 0.00 -1.46 0.00 0.00 37.83 35.53 2gsi s LYS 221 CO 0.07 -0.33 0.66 0.21 0.16 0.00 0.00 175.35 176.11 2gsi s LYS 222 N 2.13 4.34 -1.14 4.03 2.20 -1.26 -1.33 119.74 128.72 2gsi s LYS 222 Ca 0.05 0.90 -0.12 0.00 -0.36 0.00 0.00 55.97 56.45 2gsi s LYS 222 Cb -0.12 -3.23 0.23 0.00 -1.51 0.00 0.00 37.83 33.20 2gsi s LYS 222 CO -0.04 0.60 1.24 0.42 -0.36 0.00 0.00 175.35 177.21 2gsi s ILE 223 N -1.15 5.54 0.44 5.43 -1.09 -0.87 -4.96 121.20 124.55 2gsi s ILE 223 Ca 0.32 -3.00 -0.13 0.00 -2.23 0.00 0.00 60.65 55.61 2gsi s ILE 223 Cb -0.21 -4.74 -0.07 0.00 -1.58 0.00 0.00 42.46 35.86 2gsi s ILE 223 CO 0.22 -1.37 0.86 0.68 -1.23 0.00 0.00 174.94 174.09 2gsi s VAL 226 N 0.11 4.67 0.66 2.92 -7.23 -1.26 -4.75 120.40 115.52 2gsi s VAL 226 Ca 0.35 0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 61.26 2gsi s VAL 226 Cb -0.07 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.16 2gsi s VAL 226 CO -0.05 -0.56 1.20 -2.84 -0.31 0.00 0.00 175.10 172.54 2gsi s PRO 227 N -3.87 2.58 0.00 4.82 0.02 -1.26 -4.80 135.00 132.49 2gsi s PRO 227 Ca 0.55 1.76 0.20 0.00 0.02 0.00 0.00 61.00 63.52 2gsi s PRO 227 Cb -0.10 -1.89 1.18 0.00 0.02 0.00 0.00 34.50 33.71 2gsi s PRO 227 CO 0.30 -1.50 1.57 0.54 -0.33 0.00 0.00 177.00 177.59