#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qi2 h VAL 5 N 0.00 0.26 -0.13 2.46 2.07 -1.87 -0.89 116.25 118.15 1qi2 h VAL 5 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1qi2 h VAL 5 Cb 0.00 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1qi2 h VAL 5 CO 0.00 0.00 -0.43 0.58 0.02 0.00 0.00 177.57 177.74 1qi2 h VAL 6 N -0.96 1.32 -0.95 2.57 2.07 -1.59 -1.57 116.25 117.14 1qi2 h VAL 6 Ca -0.09 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 1qi2 h VAL 6 Cb 0.76 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1qi2 h VAL 6 CO 0.13 0.48 0.58 -0.08 0.02 0.00 0.00 177.57 178.69 1qi2 h GLU 7 N 0.25 1.28 -0.10 1.57 4.81 -1.78 0.35 114.58 120.96 1qi2 h GLU 7 Ca 0.02 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1qi2 h GLU 7 Cb 0.87 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1qi2 h GLU 7 CO 0.07 0.89 -0.17 1.49 -0.73 0.00 0.00 179.01 180.56 1qi2 h GLU 8 N 1.30 0.29 0.01 1.92 4.81 -0.80 -3.37 114.58 118.74 1qi2 h GLU 8 Ca 0.34 -0.18 -0.34 0.00 -0.13 0.00 0.00 59.36 59.06 1qi2 h GLU 8 Cb -0.07 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.28 1qi2 h GLU 8 CO -0.06 0.76 -2.06 0.72 -0.73 0.00 0.00 179.01 177.64 1qi2 n HIS 9 N -4.56 0.54 -4.12 0.92 8.25 -0.62 -4.92 115.22 110.71 1qi2 n HIS 9 Ca -0.07 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1qi2 n HIS 9 Cb 0.39 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 30.40 1qi2 n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qi2 n GLY 10 N 1.71 3.02 3.66 -1.41 0.00 0.12 -1.65 105.19 110.65 1qi2 n GLY 10 Ca -0.26 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1qi2 n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qi2 s GLN 11 N 0.00 4.17 0.31 1.61 2.00 -1.26 -4.75 119.66 121.73 1qi2 s GLN 11 Ca 0.00 2.37 -0.12 0.00 -2.00 0.00 0.00 55.36 55.61 1qi2 s GLN 11 Cb 0.00 -3.99 -0.08 0.00 0.80 0.00 0.00 33.01 29.75 1qi2 s GLN 11 CO 0.00 -0.87 0.67 -0.51 -0.50 0.00 0.00 175.29 174.08 1qi2 s LEU 12 N 3.96 4.06 0.27 3.68 1.43 -1.26 -1.61 118.68 129.21 1qi2 s LEU 12 Ca 0.79 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.86 1qi2 s LEU 12 Cb -0.38 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 41.94 1qi2 s LEU 12 CO 0.34 -0.20 0.53 -0.94 0.23 0.00 0.00 176.35 176.31 1qi2 s SER 13 N -2.51 0.02 -0.14 2.29 1.04 -0.51 -4.62 113.70 109.26 1qi2 s SER 13 Ca 0.51 -0.98 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 1qi2 s SER 13 Cb -0.11 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1qi2 s SER 13 CO 0.22 -1.22 0.00 -0.63 0.98 0.00 0.00 173.24 172.59 1qi2 s ILE 14 N -3.76 4.29 -0.25 -1.02 -1.09 -1.26 -0.77 121.20 117.33 1qi2 s ILE 14 Ca 0.22 -0.23 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 1qi2 s ILE 14 Cb -0.02 -2.87 0.08 0.00 -1.58 0.00 0.00 42.46 38.07 1qi2 s ILE 14 CO 0.10 0.52 0.04 -0.55 -1.23 0.00 0.00 174.94 173.82 1qi2 s SER 15 N -0.02 3.61 -1.42 3.58 0.15 0.14 -4.82 113.70 114.92 1qi2 s SER 15 Ca 0.03 -1.26 -0.06 0.00 0.70 0.00 0.00 55.95 55.37 1qi2 s SER 15 Cb -0.13 -0.86 0.04 0.00 -1.71 0.00 0.00 66.02 63.36 1qi2 s SER 15 CO 0.02 -0.33 0.74 0.59 1.20 0.00 0.00 173.24 175.46 1qi2 n ASN 16 N 4.86 -2.28 0.00 5.45 3.02 -1.26 -0.97 115.26 124.08 1qi2 n ASN 16 Ca -0.07 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1qi2 n ASN 16 Cb 0.44 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.87 1qi2 n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qi2 n GLY 17 N -1.68 1.47 3.85 7.41 0.00 -1.24 -4.92 105.19 110.08 1qi2 n GLY 17 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1qi2 n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qi2 s GLU 18 N -0.17 3.35 -0.18 1.61 0.41 -0.15 -4.12 118.70 119.46 1qi2 s GLU 18 Ca 0.00 -0.20 -0.29 0.00 -0.41 0.00 0.00 54.97 54.07 1qi2 s GLU 18 Cb 0.00 -3.11 -0.00 0.00 -1.78 0.00 0.00 34.13 29.24 1qi2 s GLU 18 CO 0.00 0.76 1.11 -1.17 -0.49 0.00 0.00 175.26 175.46 1qi2 s LEU 19 N -1.09 4.16 0.22 1.80 2.96 -1.26 -0.68 118.68 124.79 1qi2 s LEU 19 Ca 0.16 1.53 0.05 0.00 -0.22 0.00 0.00 54.13 55.65 1qi2 s LEU 19 Cb -0.12 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 1qi2 s LEU 19 CO 0.05 -0.65 -0.06 0.68 -1.32 0.00 0.00 176.35 175.05 1qi2 s VAL 20 N 2.98 1.35 0.40 1.68 -7.23 0.05 -1.93 120.40 117.70 1qi2 s VAL 20 Ca 0.49 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1qi2 s VAL 20 Cb -0.18 -2.23 0.08 0.00 0.56 0.00 0.00 36.38 34.61 1qi2 s VAL 20 CO 0.12 -0.44 0.54 -0.46 -0.31 0.00 0.00 175.10 174.55 1qi2 n ASN 21 N -0.42 0.64 0.00 4.85 0.23 0.59 -1.42 115.26 119.73 1qi2 n ASN 21 Ca -0.07 -1.56 0.05 0.00 -0.53 0.00 0.00 54.58 52.48 1qi2 n ASN 21 Cb 0.62 -0.36 0.27 0.00 -2.08 0.00 0.00 39.78 38.23 1qi2 n ASN 21 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1qi2 n GLU 22 N -2.02 0.14 -0.09 -3.83 0.28 -0.63 -0.77 120.64 113.71 1qi2 n GLU 22 Ca 0.09 0.20 0.09 0.00 -0.16 0.00 0.00 57.16 57.37 1qi2 n GLU 22 Cb 0.31 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 31.81 1qi2 n GLU 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1qi2 n ARG 23 N -1.30 1.89 -0.77 3.44 1.74 -1.26 -4.97 116.66 115.42 1qi2 n ARG 23 Ca 0.05 -1.82 0.00 0.00 -0.77 0.00 0.00 57.85 55.31 1qi2 n ARG 23 Cb 0.09 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1qi2 n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qi2 n GLY 24 N 1.03 0.60 3.88 -0.13 0.00 0.05 -5.05 105.19 105.57 1qi2 n GLY 24 Ca 0.13 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1qi2 n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qi2 s GLU 25 N -0.39 3.75 0.38 1.61 2.02 -1.26 -4.73 118.70 120.08 1qi2 s GLU 25 Ca 0.00 0.17 -0.27 0.00 0.02 0.00 0.00 54.97 54.88 1qi2 s GLU 25 Cb 0.00 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 31.40 1qi2 s GLU 25 CO 0.00 0.37 1.40 1.04 0.02 0.00 0.00 175.26 178.10 1qi2 n GLN 26 N -0.02 2.39 -4.61 1.61 6.02 -1.26 -0.30 117.38 121.22 1qi2 n GLN 26 Ca -0.01 0.84 -0.24 0.00 -0.01 0.00 0.00 57.00 57.59 1qi2 n GLN 26 Cb 0.52 -2.54 -0.16 0.00 1.02 0.00 0.00 30.24 29.08 1qi2 n GLN 26 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1qi2 s VAL 27 N -1.13 1.12 -0.22 5.09 1.01 -0.81 -4.75 120.40 120.71 1qi2 s VAL 27 Ca 0.55 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1qi2 s VAL 27 Cb -0.50 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 34.94 1qi2 s VAL 27 CO 0.62 0.34 -0.07 -1.58 0.00 0.00 0.00 175.10 174.41 1qi2 s GLN 28 N 0.27 1.77 0.03 2.72 0.74 -1.26 -4.67 119.66 119.26 1qi2 s GLN 28 Ca -0.07 -0.94 -0.20 0.00 0.05 0.00 0.00 55.36 54.20 1qi2 s GLN 28 Cb -0.12 -2.53 -0.06 0.00 1.10 0.00 0.00 33.01 31.41 1qi2 s GLN 28 CO 0.02 -0.54 0.58 -0.51 -0.55 0.00 0.00 175.29 174.29 1qi2 s LEU 29 N 1.39 4.47 -0.06 3.68 1.43 -1.26 -4.98 118.68 123.35 1qi2 s LEU 29 Ca -0.04 1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 1qi2 s LEU 29 Cb -0.18 -2.90 0.03 0.00 0.03 0.00 0.00 46.19 43.17 1qi2 s LEU 29 CO -0.07 0.18 0.01 -0.54 0.23 0.00 0.00 176.35 176.17 1qi2 s LYS 30 N -0.62 0.46 0.00 1.70 1.02 -1.25 -0.43 119.74 120.62 1qi2 s LYS 30 Ca 0.30 0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1qi2 s LYS 30 Cb -0.19 -0.82 0.00 0.00 -0.52 0.00 0.00 37.83 36.30 1qi2 s LYS 30 CO 0.18 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1qi2 n GLY 31 N 4.97 2.81 3.47 -3.33 0.00 -0.52 -2.41 105.19 110.18 1qi2 n GLY 31 Ca -0.10 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1qi2 n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qi2 s MET 32 N 0.27 1.69 0.04 1.61 -1.94 -1.21 -1.18 119.30 118.57 1qi2 s MET 32 Ca 0.00 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.66 1qi2 s MET 32 Cb 0.00 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 1qi2 s MET 32 CO 0.00 0.44 0.08 0.45 -0.01 0.00 0.00 175.02 175.98 1qi2 s SER 33 N -2.43 5.57 0.93 3.03 0.15 0.16 -1.02 113.70 120.08 1qi2 s SER 33 Ca 0.20 0.06 -0.13 0.00 0.70 0.00 0.00 55.95 56.77 1qi2 s SER 33 Cb -0.09 -1.54 0.15 0.00 -1.71 0.00 0.00 66.02 62.83 1qi2 s SER 33 CO 0.10 0.22 1.15 -0.94 1.20 0.00 0.00 173.24 174.97 1qi2 s SER 34 N -2.07 3.37 0.30 5.45 1.04 -0.17 -0.77 113.70 120.86 1qi2 s SER 34 Ca 0.26 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.58 1qi2 s SER 34 Cb -0.12 -1.40 0.00 0.00 0.10 0.00 0.00 66.02 64.60 1qi2 s SER 34 CO 0.18 -2.63 0.00 1.57 0.98 0.00 0.00 173.24 173.34 1qi2 n HIS 35 N -3.80 -2.08 -1.69 5.02 -0.00 -1.25 -4.50 115.22 106.91 1qi2 n HIS 35 Ca 0.08 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.83 1qi2 n HIS 35 Cb 0.59 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.43 1qi2 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1qi2 n GLY 36 N 5.00 1.67 0.30 1.57 0.00 -1.26 -4.41 105.19 108.06 1qi2 n GLY 36 Ca 0.00 0.71 0.17 0.00 0.00 0.00 0.00 46.02 46.91 1qi2 n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qi2 h LEU 37 N 8.46 0.00 -0.35 0.99 3.38 -1.81 -0.07 115.31 125.91 1qi2 h LEU 37 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1qi2 h LEU 37 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1qi2 h LEU 37 CO 0.95 0.04 0.00 0.06 0.09 0.00 0.00 178.44 179.58 1qi2 h GLN 38 N 0.00 0.00 0.00 1.13 -0.00 -1.88 -2.94 115.11 111.41 1qi2 h GLN 38 Ca -0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1qi2 h GLN 38 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.66 1qi2 h GLN 38 CO 0.01 0.00 -1.48 0.91 -0.00 0.00 0.00 178.83 178.27 1qi2 n TRP 39 N -2.35 0.00 -2.52 0.06 8.01 -0.45 -4.84 117.44 115.36 1qi2 n TRP 39 Ca 0.04 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.15 1qi2 n TRP 39 Cb 0.35 -0.33 0.04 0.00 -2.01 0.00 0.00 31.31 29.37 1qi2 n TRP 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1qi2 n TYR 40 N -2.59 1.71 0.27 -5.99 4.01 -0.17 -4.85 117.16 109.54 1qi2 n TYR 40 Ca -0.14 -2.10 0.15 0.00 -0.16 0.00 0.00 57.90 55.66 1qi2 n TYR 40 Cb 0.68 -0.27 0.70 0.00 -0.31 0.00 0.00 39.34 40.14 1qi2 n TYR 40 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qi2 h GLY 41 N 2.37 0.00 2.00 2.72 0.00 -1.67 -2.91 103.07 105.57 1qi2 h GLY 41 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1qi2 h GLY 41 CO 0.38 0.00 -0.01 0.06 0.00 0.00 0.00 176.54 176.96 1qi2 h GLN 42 N 0.00 0.00 -0.00 4.80 -0.00 -1.89 -1.22 115.11 116.81 1qi2 h GLN 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1qi2 h GLN 42 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1qi2 h GLN 42 CO 0.01 0.01 -0.07 1.19 -0.00 0.00 0.00 178.83 179.97 1qi2 n PHE 43 N -3.18 0.00 -3.72 0.06 3.72 -1.10 -4.62 117.46 108.62 1qi2 n PHE 43 Ca -0.02 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.00 1qi2 n PHE 43 Cb 0.14 -0.21 -0.11 0.00 -0.94 0.00 0.00 39.48 38.36 1qi2 n PHE 43 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1qi2 s VAL 44 N -2.49 3.75 0.21 -4.37 1.01 -0.46 -4.78 120.40 113.27 1qi2 s VAL 44 Ca 0.29 -1.48 -0.23 0.00 0.00 0.00 0.00 61.98 60.57 1qi2 s VAL 44 Cb 0.20 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.33 1qi2 s VAL 44 CO 0.47 -0.41 0.84 0.54 0.00 0.00 0.00 175.10 176.54 1qi2 s ASN 45 N 1.77 -0.22 0.21 3.32 2.20 -1.26 -4.88 114.94 116.07 1qi2 s ASN 45 Ca 0.02 -0.49 -0.10 0.00 -0.94 0.00 0.00 52.86 51.36 1qi2 s ASN 45 Cb -0.22 0.60 0.26 0.00 -2.00 0.00 0.00 41.25 39.90 1qi2 s ASN 45 CO 0.00 -1.11 1.76 0.22 -2.94 0.00 0.00 177.10 175.04 1qi2 h TYR 46 N 2.00 0.45 -0.30 1.54 5.03 -1.95 -0.92 116.97 122.81 1qi2 h TYR 46 Ca -0.22 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.08 1qi2 h TYR 46 Cb 1.24 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 39.40 1qi2 h TYR 46 CO 0.40 0.14 0.03 0.93 -1.32 0.00 0.00 178.16 178.34 1qi2 h GLU 47 N 0.45 0.52 -0.20 1.82 3.07 -1.96 0.37 114.58 118.66 1qi2 h GLU 47 Ca 0.30 -0.15 -0.11 0.00 -0.50 0.00 0.00 59.36 58.90 1qi2 h GLU 47 Cb 0.34 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1qi2 h GLU 47 CO -0.28 0.63 -0.35 0.66 -1.40 0.00 0.00 179.01 178.28 1qi2 h SER 48 N 0.33 0.43 -0.04 1.42 4.64 -1.41 -0.96 113.55 117.96 1qi2 h SER 48 Ca 0.09 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1qi2 h SER 48 Cb 0.38 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1qi2 h SER 48 CO 0.01 0.75 -0.49 0.24 -0.87 0.00 0.00 176.83 176.47 1qi2 h MET 49 N 0.36 0.61 -0.54 4.77 2.86 -1.01 -0.10 114.93 121.86 1qi2 h MET 49 Ca 0.04 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.21 1qi2 h MET 49 Cb 0.78 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1qi2 h MET 49 CO 0.06 0.96 -0.10 -0.22 1.06 0.00 0.00 176.91 178.68 1qi2 h LYS 50 N 0.48 1.03 -0.62 1.72 3.64 -0.71 0.16 116.57 122.26 1qi2 h LYS 50 Ca 0.02 -0.38 -0.07 0.00 -1.27 0.00 0.00 60.65 58.96 1qi2 h LYS 50 Cb 1.03 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1qi2 h LYS 50 CO 0.10 1.07 0.12 2.35 -2.27 0.00 0.00 179.45 180.82 1qi2 h TRP 51 N 0.91 1.08 -0.69 1.91 2.91 -0.94 0.12 115.95 121.25 1qi2 h TRP 51 Ca 0.14 -0.14 -0.06 0.00 1.13 0.00 0.00 58.89 59.96 1qi2 h TRP 51 Cb 0.67 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.99 1qi2 h TRP 51 CO 0.05 0.91 0.20 -0.07 -1.03 0.00 0.00 178.44 178.50 1qi2 h LEU 52 N 0.93 1.00 0.11 0.65 3.38 -0.71 0.35 115.31 121.02 1qi2 h LEU 52 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1qi2 h LEU 52 Cb 0.40 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1qi2 h LEU 52 CO 0.01 0.94 -0.05 -0.09 0.09 0.00 0.00 178.44 179.33 1qi2 h ARG 53 N 1.02 -0.15 0.09 1.13 2.43 -0.49 -0.81 114.38 117.61 1qi2 h ARG 53 Ca 0.22 0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.14 1qi2 h ARG 53 Cb 0.31 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1qi2 h ARG 53 CO -0.01 0.08 -1.16 -0.44 -1.51 0.00 0.00 179.97 176.94 1qi2 h ASP 54 N -0.35 0.53 0.09 -3.80 3.32 -0.65 -2.54 116.42 113.01 1qi2 h ASP 54 Ca -0.02 -0.51 -0.36 0.00 0.02 0.00 0.00 57.03 56.17 1qi2 h ASP 54 Cb 0.29 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.60 1qi2 h ASP 54 CO 0.03 1.36 -2.27 -0.67 -1.72 0.00 0.00 179.24 175.96 1qi2 n ASP 55 N -3.65 0.29 -0.07 6.45 2.03 0.12 -4.54 116.55 117.19 1qi2 n ASP 55 Ca -0.09 0.07 -0.05 0.00 0.52 0.00 0.00 54.79 55.24 1qi2 n ASP 55 Cb 0.96 0.72 -0.16 0.00 -0.72 0.00 0.00 41.12 41.92 1qi2 n ASP 55 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1qi2 n TRP 56 N -2.84 0.13 -0.65 -0.67 7.02 -0.65 -4.91 117.44 114.87 1qi2 n TRP 56 Ca -0.31 0.04 0.00 0.00 -1.02 0.00 0.00 57.50 56.22 1qi2 n TRP 56 Cb 1.13 -0.91 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 1qi2 n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1qi2 n GLY 57 N 1.61 0.80 3.75 6.99 0.00 -0.40 -2.19 105.19 115.75 1qi2 n GLY 57 Ca -0.24 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1qi2 n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qi2 s ILE 58 N -2.00 2.63 0.00 -0.61 -4.36 -0.92 -4.85 121.20 111.09 1qi2 s ILE 58 Ca 0.00 0.35 0.00 0.00 -0.26 0.00 0.00 60.65 60.74 1qi2 s ILE 58 Cb 0.00 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.68 1qi2 s ILE 58 CO 0.00 -0.12 0.77 -0.46 0.24 0.00 0.00 174.94 175.36 1qi2 n ASN 59 N -2.01 1.23 -3.67 4.36 0.23 -1.01 -4.56 115.26 109.82 1qi2 n ASN 59 Ca 0.13 -1.57 -0.14 0.00 -0.53 0.00 0.00 54.58 52.47 1qi2 n ASN 59 Cb 0.50 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.12 1qi2 n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1qi2 s VAL 60 N -0.57 0.00 -0.05 3.53 0.11 -1.26 -1.42 120.40 120.74 1qi2 s VAL 60 Ca 0.00 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1qi2 s VAL 60 Cb 0.00 -0.79 0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1qi2 s VAL 60 CO 0.00 -0.02 -0.13 0.12 -3.33 0.00 0.00 175.10 171.74 1qi2 s PHE 61 N 0.01 1.43 -0.23 1.54 5.36 -0.55 -3.36 117.98 122.18 1qi2 s PHE 61 Ca -0.02 -0.46 -0.06 0.00 -0.96 0.00 0.00 56.93 55.42 1qi2 s PHE 61 Cb -0.04 -1.02 -0.02 0.00 -0.34 0.00 0.00 43.02 41.60 1qi2 s PHE 61 CO 0.02 -0.21 0.03 0.50 -1.46 0.00 0.00 175.22 174.10 1qi2 s ARG 62 N 0.38 3.60 -0.51 10.12 3.52 -0.19 -1.07 118.95 134.81 1qi2 s ARG 62 Ca -0.09 -0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 54.81 1qi2 s ARG 62 Cb -0.13 -3.20 0.06 0.00 -1.56 0.00 0.00 34.95 30.13 1qi2 s ARG 62 CO 0.03 -0.12 0.59 0.00 -0.81 0.00 0.00 175.30 174.98 1qi2 s ALA 63 N 1.39 3.42 -0.82 6.12 0.00 -0.08 -1.00 121.76 130.78 1qi2 s ALA 63 Ca 0.05 -1.85 -0.21 0.00 0.00 0.00 0.00 51.96 49.94 1qi2 s ALA 63 Cb -0.15 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 19.75 1qi2 s ALA 63 CO 0.02 -1.98 1.12 0.00 0.00 0.00 0.00 175.76 174.92 1qi2 s ALA 64 N 2.44 3.13 -0.84 0.00 0.00 -1.26 -2.07 121.76 123.16 1qi2 s ALA 64 Ca 0.13 -2.24 -0.18 0.00 0.00 0.00 0.00 51.96 49.66 1qi2 s ALA 64 Cb -0.21 -4.06 0.14 0.00 0.00 0.00 0.00 23.12 18.99 1qi2 s ALA 64 CO 0.10 -3.02 0.98 1.41 0.00 0.00 0.00 175.76 175.24 1qi2 s MET 65 N 3.76 3.47 0.49 0.00 1.75 -0.50 -2.51 119.30 125.77 1qi2 s MET 65 Ca 0.31 -1.74 -0.23 0.00 -1.25 0.00 0.00 55.69 52.77 1qi2 s MET 65 Cb -0.09 -4.67 -0.07 0.00 2.84 0.00 0.00 34.83 32.84 1qi2 s MET 65 CO -0.00 -1.65 1.29 0.66 -0.65 0.00 0.00 175.02 174.66 1qi2 n TYR 66 N 6.14 2.11 -0.08 4.11 4.02 -1.26 -0.91 117.16 131.29 1qi2 n TYR 66 Ca 0.15 0.46 -0.22 0.00 -0.01 0.00 0.00 57.90 58.27 1qi2 n TYR 66 Cb 0.47 -2.35 -0.12 0.00 -0.02 0.00 0.00 39.34 37.32 1qi2 n TYR 66 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qi2 n THR 67 N -0.70 1.59 -1.62 -0.72 -2.24 -1.19 -1.10 114.28 108.30 1qi2 n THR 67 Ca 0.09 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1qi2 n THR 67 Cb 0.43 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.70 1qi2 n THR 67 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1qi2 n SER 68 N -4.19 0.00 -4.05 3.42 2.88 -1.26 -1.38 113.62 109.03 1qi2 n SER 68 Ca -0.34 -0.13 -0.30 0.00 -1.33 0.00 0.00 58.87 56.78 1qi2 n SER 68 Cb 0.78 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.22 1qi2 n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1qi2 n SER 69 N -0.38 -1.71 -0.01 -3.46 7.64 -1.26 -0.90 113.62 113.54 1qi2 n SER 69 Ca 0.00 -0.99 -0.00 0.00 1.01 0.00 0.00 58.87 58.88 1qi2 n SER 69 Cb 0.00 -2.99 -0.00 0.00 -1.01 0.00 0.00 64.21 60.21 1qi2 n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qi2 n GLY 70 N -1.76 0.47 0.00 0.23 0.00 -1.26 -5.01 105.19 97.85 1qi2 n GLY 70 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1qi2 n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi2 n GLY 71 N -2.91 0.97 0.32 -0.02 0.00 -0.08 -4.50 105.19 98.98 1qi2 n GLY 71 Ca -0.00 -1.49 0.05 0.00 0.00 0.00 0.00 46.02 44.57 1qi2 n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1qi2 h TYR 72 N 0.00 0.90 -0.02 1.61 3.20 -1.02 0.27 116.97 121.91 1qi2 h TYR 72 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1qi2 h TYR 72 Cb 0.00 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1qi2 h TYR 72 CO 0.00 0.34 -0.05 0.82 -1.64 0.00 0.00 178.16 177.62 1qi2 h ILE 73 N 0.80 0.86 0.14 1.81 1.08 -1.48 -2.30 117.51 118.41 1qi2 h ILE 73 Ca 0.44 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.61 1qi2 h ILE 73 Cb 0.46 0.86 0.02 0.00 -3.07 0.00 0.00 36.82 35.09 1qi2 h ILE 73 CO -0.28 0.00 -1.25 0.44 -0.69 0.00 0.00 178.15 176.37 1qi2 h ASP 74 N -0.08 0.72 -2.99 1.72 3.32 -1.70 -3.42 116.42 113.99 1qi2 h ASP 74 Ca 0.03 -0.70 -0.58 0.00 0.02 0.00 0.00 57.03 55.80 1qi2 h ASP 74 Cb 0.12 -0.23 -0.40 0.00 0.22 0.00 0.00 39.33 39.05 1qi2 h ASP 74 CO -0.07 1.52 -0.79 -0.62 -1.72 0.00 0.00 179.24 177.56 1qi2 s ASP 75 N -7.35 3.42 0.00 6.45 2.15 0.92 -4.97 116.67 117.29 1qi2 s ASP 75 Ca -0.07 -2.14 0.14 0.00 0.43 0.00 0.00 52.55 50.91 1qi2 s ASP 75 Cb 0.06 -0.67 0.82 0.00 -0.30 0.00 0.00 42.92 42.83 1qi2 s ASP 75 CO 0.92 -0.33 1.24 -0.81 -0.17 0.00 0.00 175.17 176.02 1qi2 n PRO 76 N 4.15 0.43 0.26 4.34 -0.04 -0.87 -2.83 135.00 140.45 1qi2 n PRO 76 Ca 0.07 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.70 1qi2 n PRO 76 Cb 0.37 -1.50 0.79 0.00 -0.04 0.00 0.00 33.50 33.12 1qi2 n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qi2 h SER 77 N 0.00 0.00 0.20 3.54 4.64 -1.92 -1.57 113.55 118.44 1qi2 h SER 77 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qi2 h SER 77 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qi2 h SER 77 CO 0.00 0.00 -0.01 1.62 -0.87 0.00 0.00 176.83 177.57 1qi2 h VAL 78 N 0.00 0.06 -0.11 0.95 3.04 -1.88 0.20 116.25 118.50 1qi2 h VAL 78 Ca 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 66.70 65.61 1qi2 h VAL 78 Cb 0.33 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1qi2 h VAL 78 CO 0.00 0.01 0.10 0.50 -1.01 0.00 0.00 177.57 177.17 1qi2 h LYS 79 N 0.00 0.00 -0.76 4.17 3.64 -1.56 0.35 116.57 122.41 1qi2 h LYS 79 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1qi2 h LYS 79 Cb 0.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1qi2 h LYS 79 CO 0.00 0.00 0.29 0.93 -2.27 0.00 0.00 179.45 178.40 1qi2 h GLU 80 N 0.00 1.15 -0.35 1.90 4.39 -0.80 -1.26 114.58 119.60 1qi2 h GLU 80 Ca 0.05 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1qi2 h GLU 80 Cb 0.26 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1qi2 h GLU 80 CO -0.00 0.94 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.37 1qi2 h LYS 81 N 1.12 0.67 -0.38 2.33 1.63 -1.07 -1.70 116.57 119.16 1qi2 h LYS 81 Ca 0.25 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1qi2 h LYS 81 Cb 0.24 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1qi2 h LYS 81 CO -0.02 0.82 0.17 0.28 -3.45 0.00 0.00 179.45 177.25 1qi2 h VAL 82 N 0.60 1.18 -0.83 2.00 2.07 -1.07 -1.11 116.25 119.08 1qi2 h VAL 82 Ca 0.09 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1qi2 h VAL 82 Cb 0.67 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1qi2 h VAL 82 CO 0.05 0.20 0.38 0.11 0.02 0.00 0.00 177.57 178.33 1qi2 h LYS 83 N 0.47 1.21 -0.58 1.57 1.57 -1.11 -0.87 116.57 118.84 1qi2 h LYS 83 Ca 0.13 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1qi2 h LYS 83 Cb 0.16 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1qi2 h LYS 83 CO -0.01 0.95 0.36 1.49 -0.57 0.00 0.00 179.45 181.66 1qi2 h GLU 84 N 1.20 0.70 -0.35 3.15 4.81 -1.01 0.84 114.58 123.92 1qi2 h GLU 84 Ca 0.28 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1qi2 h GLU 84 Cb 0.15 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1qi2 h GLU 84 CO -0.03 0.46 0.08 0.00 -0.73 0.00 0.00 179.01 178.78 1qi2 h ALA 85 N 1.24 0.46 -0.39 2.92 0.00 -0.77 0.13 119.26 122.84 1qi2 h ALA 85 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1qi2 h ALA 85 Cb -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1qi2 h ALA 85 CO -0.08 0.14 0.18 0.28 0.00 0.00 0.00 179.25 179.76 1qi2 h VAL 86 N 0.41 1.17 -0.41 0.00 2.07 -0.81 -0.59 116.25 118.09 1qi2 h VAL 86 Ca 0.11 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1qi2 h VAL 86 Cb 0.32 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1qi2 h VAL 86 CO 0.00 0.19 -0.03 -0.33 0.02 0.00 0.00 177.57 177.42 1qi2 h GLU 87 N 0.49 0.68 -0.44 1.57 5.08 -0.73 -0.50 114.58 120.73 1qi2 h GLU 87 Ca 0.13 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1qi2 h GLU 87 Cb 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1qi2 h GLU 87 CO -0.02 0.73 -0.06 0.00 -1.00 0.00 0.00 179.01 178.66 1qi2 h ALA 88 N 1.32 0.60 -0.75 3.43 0.00 -0.63 -1.34 119.26 121.90 1qi2 h ALA 88 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1qi2 h ALA 88 Cb 0.45 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1qi2 h ALA 88 CO 0.02 0.45 0.37 0.00 0.00 0.00 0.00 179.25 180.09 1qi2 h ALA 89 N 0.88 1.24 -0.36 0.00 0.00 -0.68 0.17 119.26 120.52 1qi2 h ALA 89 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1qi2 h ALA 89 Cb 0.58 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1qi2 h ALA 89 CO 0.03 0.59 0.02 0.82 0.00 0.00 0.00 179.25 180.72 1qi2 h ILE 90 N 1.06 1.25 -0.35 0.00 2.04 -0.81 0.92 117.51 121.63 1qi2 h ILE 90 Ca 0.26 -0.92 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1qi2 h ILE 90 Cb 0.09 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1qi2 h ILE 90 CO -0.04 0.31 -0.05 0.44 0.00 0.00 0.00 178.15 178.81 1qi2 h ASP 91 N 0.44 0.54 0.31 1.72 3.32 -0.73 -2.68 116.42 119.33 1qi2 h ASP 91 Ca 0.10 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1qi2 h ASP 91 Cb 0.42 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1qi2 h ASP 91 CO 0.01 0.64 -0.17 0.18 -1.72 0.00 0.00 179.24 178.19 1qi2 n LEU 92 N -4.24 0.70 -2.93 1.55 4.77 0.57 -4.95 117.00 112.47 1qi2 n LEU 92 Ca 0.01 -0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.69 1qi2 n LEU 92 Cb 0.29 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 1qi2 n LEU 92 CO 0.40 0.13 0.15 -0.67 -1.33 0.00 0.00 177.39 176.07 1qi2 n ASP 93 N -0.82 -5.58 -4.64 -1.43 2.03 0.20 -4.44 116.55 101.86 1qi2 n ASP 93 Ca 0.14 -0.39 -0.28 0.00 0.52 0.00 0.00 54.79 54.77 1qi2 n ASP 93 Cb 0.31 -4.25 -0.10 0.00 -0.72 0.00 0.00 41.12 36.35 1qi2 n ASP 93 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1qi2 s ILE 94 N -3.21 1.92 0.49 5.18 -4.36 -0.50 -1.43 121.20 119.29 1qi2 s ILE 94 Ca 0.42 -1.99 -0.07 0.00 -0.26 0.00 0.00 60.65 58.75 1qi2 s ILE 94 Cb -0.19 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 1qi2 s ILE 94 CO 0.53 0.00 0.83 -0.31 0.24 0.00 0.00 174.94 176.23 1qi2 s TYR 95 N -2.72 3.56 -0.04 1.37 2.02 -0.51 -4.48 117.35 116.54 1qi2 s TYR 95 Ca 0.32 0.95 -0.03 0.00 -0.37 0.00 0.00 57.07 57.94 1qi2 s TYR 95 Cb 0.09 -2.41 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1qi2 s TYR 95 CO 0.17 -0.32 0.11 0.54 -1.57 0.00 0.00 175.55 174.47 1qi2 s VAL 96 N -2.75 -0.02 -0.20 0.71 0.11 0.22 -1.48 120.40 117.00 1qi2 s VAL 96 Ca 0.50 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.56 1qi2 s VAL 96 Cb -0.10 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1qi2 s VAL 96 CO 0.44 0.03 0.04 -0.63 -3.33 0.00 0.00 175.10 171.65 1qi2 s ILE 97 N 0.50 4.42 -0.43 7.04 1.01 -0.23 -0.74 121.20 132.78 1qi2 s ILE 97 Ca -0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 1qi2 s ILE 97 Cb -0.05 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.44 1qi2 s ILE 97 CO -0.02 0.43 0.46 -0.63 0.00 0.00 0.00 174.94 175.17 1qi2 s ILE 98 N 0.79 5.07 -0.32 2.92 1.01 -0.35 -0.91 121.20 129.41 1qi2 s ILE 98 Ca 0.02 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.25 1qi2 s ILE 98 Cb -0.14 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1qi2 s ILE 98 CO 0.02 -0.46 0.12 -0.62 0.00 0.00 0.00 174.94 174.00 1qi2 s ASP 99 N 1.88 5.33 -0.90 3.58 2.15 -0.88 -0.69 116.67 127.15 1qi2 s ASP 99 Ca 0.13 -0.76 -0.25 0.00 0.43 0.00 0.00 52.55 52.10 1qi2 s ASP 99 Cb -0.17 -1.93 0.04 0.00 -0.30 0.00 0.00 42.92 40.56 1qi2 s ASP 99 CO 0.14 -0.24 1.39 0.86 -0.17 0.00 0.00 175.17 177.16 1qi2 s TRP 100 N 1.52 2.40 -1.28 -5.34 -0.11 -0.39 -1.41 118.94 114.34 1qi2 s TRP 100 Ca 0.02 -0.47 -0.12 0.00 1.22 0.00 0.00 56.10 56.75 1qi2 s TRP 100 Cb -0.18 -4.65 0.14 0.00 -1.50 0.00 0.00 33.47 27.28 1qi2 s TRP 100 CO 0.04 -2.00 1.76 1.58 -4.62 0.00 0.00 176.95 173.71 1qi2 n HIS 101 N 9.23 3.88 -2.32 5.86 -0.00 -0.08 -1.76 115.22 130.03 1qi2 n HIS 101 Ca 0.21 -3.01 -0.34 0.00 0.46 0.00 0.00 57.72 55.03 1qi2 n HIS 101 Cb 0.50 -2.17 -0.01 0.00 -0.12 0.00 0.00 29.99 28.19 1qi2 n HIS 101 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1qi2 s ILE 102 N 1.51 3.55 0.00 3.57 -4.36 -1.26 -3.16 121.20 121.05 1qi2 s ILE 102 Ca 0.43 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.73 1qi2 s ILE 102 Cb 0.05 -3.36 0.00 0.00 1.25 0.00 0.00 42.46 40.40 1qi2 s ILE 102 CO 0.00 -0.26 0.00 -0.11 0.24 0.00 0.00 174.94 174.81 1qi2 n LEU 103 N -1.34 0.00 -0.19 0.37 7.94 -1.26 -2.94 117.00 119.57 1qi2 n LEU 103 Ca 0.10 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 55.01 1qi2 n LEU 103 Cb 0.52 0.00 0.26 0.00 0.53 0.00 0.00 43.42 44.73 1qi2 n LEU 103 CO 0.42 0.00 1.22 0.77 -1.11 0.00 0.00 177.39 178.70 1qi2 h SER 104 N 0.00 0.83 -0.42 1.96 4.64 -1.92 -2.90 113.55 115.73 1qi2 h SER 104 Ca 0.00 -0.03 -0.70 0.00 -0.47 0.00 0.00 61.79 60.59 1qi2 h SER 104 Cb 0.00 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 61.82 1qi2 h SER 104 CO 0.00 0.61 2.72 -0.90 -0.87 0.00 0.00 176.83 178.38 1qi2 n ASP 105 N -4.42 4.34 0.24 4.97 5.75 -1.26 -4.83 116.55 121.34 1qi2 n ASP 105 Ca 0.08 -2.88 0.16 0.00 -0.01 0.00 0.00 54.79 52.13 1qi2 n ASP 105 Cb 0.04 -1.68 0.73 0.00 -1.03 0.00 0.00 41.12 39.18 1qi2 n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1qi2 h ASN 106 N 6.58 0.00 -3.58 -1.12 -1.07 -1.81 -3.40 115.58 111.18 1qi2 h ASN 106 Ca 0.51 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 56.24 1qi2 h ASN 106 Cb 0.73 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 36.75 1qi2 h ASN 106 CO 1.71 0.00 -0.63 -0.62 0.07 0.00 0.00 177.43 177.96 1qi2 s ASP 107 N -4.99 5.07 0.64 6.14 -1.08 -1.26 -1.64 116.67 119.55 1qi2 s ASP 107 Ca 0.00 -0.20 0.33 0.00 -0.52 0.00 0.00 52.55 52.16 1qi2 s ASP 107 Cb 0.09 -1.90 1.80 0.00 -1.46 0.00 0.00 42.92 41.46 1qi2 s ASP 107 CO 0.43 -0.01 2.07 1.55 0.52 0.00 0.00 175.17 179.73 1qi2 h PRO 108 N 8.05 0.00 0.00 4.34 0.13 -1.91 -1.42 132.00 141.19 1qi2 h PRO 108 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1qi2 h PRO 108 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1qi2 h PRO 108 CO 0.59 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.45 1qi2 n ASN 109 N -3.26 0.00 -0.14 1.44 3.02 -1.26 -3.32 115.26 111.74 1qi2 n ASN 109 Ca -0.00 0.32 -0.08 0.00 -0.03 0.00 0.00 54.58 54.79 1qi2 n ASN 109 Cb 0.32 -0.43 0.01 0.00 -0.61 0.00 0.00 39.78 39.07 1qi2 n ASN 109 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1qi2 h ILE 110 N 0.00 1.10 -0.73 2.41 2.04 -1.61 -3.03 117.51 117.68 1qi2 h ILE 110 Ca 0.00 -0.20 -0.53 0.00 1.00 0.00 0.00 64.86 65.13 1qi2 h ILE 110 Cb 0.32 0.48 -0.39 0.00 -0.74 0.00 0.00 36.82 36.50 1qi2 h ILE 110 CO 0.00 0.10 -0.59 -1.22 0.00 0.00 0.00 178.15 176.45 1qi2 n TYR 111 N -4.80 2.64 -0.24 1.37 4.01 -1.23 -4.82 117.16 114.09 1qi2 n TYR 111 Ca 0.01 -2.27 -0.02 0.00 -0.16 0.00 0.00 57.90 55.47 1qi2 n TYR 111 Cb 0.03 -0.47 0.10 0.00 -0.31 0.00 0.00 39.34 38.68 1qi2 n TYR 111 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1qi2 h LYS 112 N 2.07 0.71 -0.55 -0.72 3.64 -1.52 0.97 116.57 121.16 1qi2 h LYS 112 Ca 0.38 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 1qi2 h LYS 112 Cb 1.43 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1qi2 h LYS 112 CO 0.81 0.47 0.20 1.49 -2.27 0.00 0.00 179.45 180.16 1qi2 h GLU 113 N 0.73 0.83 -0.58 1.90 4.81 -1.87 -1.50 114.58 118.90 1qi2 h GLU 113 Ca 0.30 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1qi2 h GLU 113 Cb 0.16 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1qi2 h GLU 113 CO -0.17 0.73 0.06 0.93 -0.73 0.00 0.00 179.01 179.83 1qi2 h GLU 114 N 0.75 0.96 -0.49 1.92 3.07 -1.85 -1.94 114.58 117.01 1qi2 h GLU 114 Ca 0.18 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 1qi2 h GLU 114 Cb 0.22 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 1qi2 h GLU 114 CO -0.01 0.91 0.16 0.00 -1.40 0.00 0.00 179.01 178.67 1qi2 h ALA 115 N 1.16 0.64 -0.66 3.43 0.00 -0.53 0.04 119.26 123.33 1qi2 h ALA 115 Ca 0.18 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1qi2 h ALA 115 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1qi2 h ALA 115 CO 0.02 0.29 0.35 0.87 0.00 0.00 0.00 179.25 180.77 1qi2 h LYS 116 N 0.66 0.94 -0.32 0.00 1.57 -1.09 -0.02 116.57 118.30 1qi2 h LYS 116 Ca 0.16 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1qi2 h LYS 116 Cb 0.25 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1qi2 h LYS 116 CO -0.01 0.72 0.10 -0.44 -0.57 0.00 0.00 179.45 179.26 1qi2 h ASP 117 N 0.91 0.46 -0.23 0.86 5.19 -1.12 -0.09 116.42 122.40 1qi2 h ASP 117 Ca 0.23 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 1qi2 h ASP 117 Cb 0.07 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1qi2 h ASP 117 CO -0.03 0.54 0.09 0.15 -3.12 0.00 0.00 179.24 176.87 1qi2 h PHE 118 N 0.36 0.35 0.00 4.55 3.57 -0.57 -2.26 116.94 122.94 1qi2 h PHE 118 Ca 0.10 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1qi2 h PHE 118 Cb 0.24 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1qi2 h PHE 118 CO 0.01 0.37 -0.37 0.74 -2.23 0.00 0.00 178.31 176.83 1qi2 h PHE 119 N 0.22 0.00 -0.29 0.41 0.04 -0.96 0.12 116.94 116.49 1qi2 h PHE 119 Ca 0.08 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.81 1qi2 h PHE 119 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1qi2 h PHE 119 CO -0.01 0.37 0.04 0.22 -0.60 0.00 0.00 178.31 178.33 1qi2 h ASP 120 N 0.00 0.46 -0.06 2.17 3.58 -0.76 -0.63 116.42 121.19 1qi2 h ASP 120 Ca -0.00 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.17 1qi2 h ASP 120 Cb 0.76 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1qi2 h ASP 120 CO 0.05 0.62 0.03 -0.08 -2.88 0.00 0.00 179.24 176.97 1qi2 h GLU 121 N 0.29 0.09 -0.73 0.28 4.81 -1.08 -0.30 114.58 117.95 1qi2 h GLU 121 Ca 0.09 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1qi2 h GLU 121 Cb 0.36 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1qi2 h GLU 121 CO 0.01 0.19 0.34 0.52 -0.73 0.00 0.00 179.01 179.34 1qi2 h MET 122 N -0.04 1.05 -0.01 1.92 2.86 -0.92 -1.25 114.93 118.54 1qi2 h MET 122 Ca 0.02 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.36 1qi2 h MET 122 Cb 0.13 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1qi2 h MET 122 CO -0.00 0.83 -0.67 0.66 1.06 0.00 0.00 176.91 178.79 1qi2 h SER 123 N 1.02 0.04 -0.35 1.22 4.64 -1.00 -0.60 113.55 118.52 1qi2 h SER 123 Ca 0.25 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 1qi2 h SER 123 Cb 0.13 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1qi2 h SER 123 CO -0.03 0.70 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.28 1qi2 h GLU 124 N 0.03 0.64 -0.25 4.77 5.08 -0.78 0.15 114.58 124.21 1qi2 h GLU 124 Ca -0.01 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1qi2 h GLU 124 Cb 1.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1qi2 h GLU 124 CO 0.09 0.77 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.65 1qi2 h LEU 125 N 0.44 0.56 -1.43 1.33 3.38 -1.01 -3.38 115.31 115.20 1qi2 h LEU 125 Ca 0.10 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1qi2 h LEU 125 Cb 0.49 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1qi2 h LEU 125 CO 0.02 0.86 0.00 -1.22 0.09 0.00 0.00 178.44 178.19 1qi2 n TYR 126 N -4.45 0.01 0.19 1.13 4.01 -0.25 -4.78 117.16 113.02 1qi2 n TYR 126 Ca -0.04 -0.10 0.18 0.00 -0.16 0.00 0.00 57.90 57.78 1qi2 n TYR 126 Cb 0.37 -0.01 0.76 0.00 -0.31 0.00 0.00 39.34 40.15 1qi2 n TYR 126 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qi2 h GLY 127 N 0.29 0.00 0.58 2.72 0.00 -0.85 -1.09 103.07 104.72 1qi2 h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qi2 h GLY 127 CO 0.00 0.00 -0.21 1.22 0.00 0.00 0.00 176.54 177.55 1qi2 n ASP 128 N -3.37 0.76 -4.76 0.19 8.00 -1.26 -4.78 116.55 111.33 1qi2 n ASP 128 Ca 0.04 -0.70 -0.36 0.00 0.71 0.00 0.00 54.79 54.48 1qi2 n ASP 128 Cb 0.54 0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.61 1qi2 n ASP 128 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1qi2 s TYR 129 N -2.53 3.49 -0.58 1.24 1.51 -0.41 -4.97 117.35 115.09 1qi2 s TYR 129 Ca 0.25 0.56 0.21 0.00 -1.01 0.00 0.00 57.07 57.08 1qi2 s TYR 129 Cb 0.19 -2.24 0.89 0.00 -0.11 0.00 0.00 41.96 40.70 1qi2 s TYR 129 CO 0.51 0.36 1.63 -0.35 -1.11 0.00 0.00 175.55 176.60 1qi2 n PRO 130 N 3.16 0.14 0.16 -1.71 -0.04 -1.26 -3.21 135.00 132.23 1qi2 n PRO 130 Ca -0.14 0.41 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1qi2 n PRO 130 Cb 0.52 -1.79 0.44 0.00 -0.04 0.00 0.00 33.50 32.63 1qi2 n PRO 130 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1qi2 h ASN 131 N 0.00 0.14 -3.62 3.54 4.21 -1.89 -3.43 115.58 114.54 1qi2 h ASN 131 Ca 0.00 -0.03 -0.51 0.00 1.21 0.00 0.00 56.30 56.97 1qi2 h ASN 131 Cb 0.29 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 1qi2 h ASN 131 CO 0.00 0.30 0.33 -0.69 -1.29 0.00 0.00 177.43 176.08 1qi2 s VAL 132 N -4.72 4.36 -0.07 2.81 1.01 -1.20 -0.61 120.40 121.98 1qi2 s VAL 132 Ca -0.05 2.02 0.03 0.00 0.00 0.00 0.00 61.98 63.98 1qi2 s VAL 132 Cb 0.16 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.25 1qi2 s VAL 132 CO 0.72 0.40 -0.16 -0.63 0.00 0.00 0.00 175.10 175.43 1qi2 s ILE 133 N -0.51 1.40 -0.14 2.22 1.01 0.08 -4.28 121.20 120.99 1qi2 s ILE 133 Ca 0.43 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1qi2 s ILE 133 Cb -0.24 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1qi2 s ILE 133 CO 0.30 0.41 0.12 -0.31 0.00 0.00 0.00 174.94 175.46 1qi2 s TYR 134 N 0.52 3.49 -0.38 3.97 2.02 -0.47 -1.21 117.35 125.31 1qi2 s TYR 134 Ca -0.15 0.42 0.03 0.00 -0.37 0.00 0.00 57.07 57.00 1qi2 s TYR 134 Cb -0.16 -1.99 0.11 0.00 -0.40 0.00 0.00 41.96 39.52 1qi2 s TYR 134 CO 0.05 0.57 0.12 -2.00 -1.57 0.00 0.00 175.55 172.71 1qi2 s GLU 135 N -0.59 1.42 0.00 -0.62 2.12 0.14 0.36 118.70 121.53 1qi2 s GLU 135 Ca 0.12 -1.89 0.25 0.00 0.36 0.00 0.00 54.97 53.81 1qi2 s GLU 135 Cb -0.12 -2.93 1.13 0.00 0.26 0.00 0.00 34.13 32.47 1qi2 s GLU 135 CO 0.02 -1.00 1.81 0.44 -0.54 0.00 0.00 175.26 175.99 1qi2 n ILE 136 N 4.07 0.26 -2.97 -3.70 -5.35 -0.93 -1.26 119.36 109.48 1qi2 n ILE 136 Ca 0.04 0.07 0.01 0.00 -0.27 0.00 0.00 62.75 62.59 1qi2 n ILE 136 Cb 0.39 -0.64 -0.00 0.00 -1.74 0.00 0.00 39.64 37.65 1qi2 n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qi2 s ALA 137 N -2.87 -3.40 0.02 -1.28 0.00 -1.25 -4.72 121.76 108.26 1qi2 s ALA 137 Ca 0.16 0.70 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1qi2 s ALA 137 Cb 0.16 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1qi2 s ALA 137 CO 0.43 -2.36 0.93 -1.71 0.00 0.00 0.00 175.76 173.05 1qi2 n ASN 138 N 3.96 -0.14 -3.42 0.00 5.15 -0.72 -3.15 115.26 116.94 1qi2 n ASN 138 Ca 0.09 0.96 -0.27 0.00 -0.60 0.00 0.00 54.58 54.76 1qi2 n ASN 138 Cb 0.60 -0.39 -0.11 0.00 -0.53 0.00 0.00 39.78 39.35 1qi2 n ASN 138 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1qi2 s GLU 139 N -3.38 0.68 0.41 1.20 2.02 -1.15 -4.62 118.70 113.85 1qi2 s GLU 139 Ca -0.02 -1.54 -0.26 0.00 0.02 0.00 0.00 54.97 53.17 1qi2 s GLU 139 Cb 0.01 -1.26 -0.10 0.00 0.10 0.00 0.00 34.13 32.88 1qi2 s GLU 139 CO 0.08 -1.27 1.33 -2.30 0.02 0.00 0.00 175.26 173.12 1qi2 n PRO 140 N 3.64 2.11 -3.84 0.39 -0.02 -1.25 -4.49 135.00 131.53 1qi2 n PRO 140 Ca 0.18 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.33 1qi2 n PRO 140 Cb 0.42 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1qi2 n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qi2 s ASN 141 N -0.44 -0.25 0.00 2.55 2.20 -0.65 -1.06 114.94 117.29 1qi2 s ASN 141 Ca 0.59 -0.61 0.00 0.00 -0.94 0.00 0.00 52.86 51.90 1qi2 s ASN 141 Cb -0.50 0.69 0.00 0.00 -2.00 0.00 0.00 41.25 39.43 1qi2 s ASN 141 CO 0.59 -1.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 1qi2 n GLY 142 N -0.43 2.37 0.25 0.45 0.00 -1.26 -4.47 105.19 102.09 1qi2 n GLY 142 Ca -0.05 -1.71 0.16 0.00 0.00 0.00 0.00 46.02 44.43 1qi2 n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qi2 h SER 143 N 0.00 0.00 -0.13 1.61 4.64 -2.01 -2.58 113.55 115.08 1qi2 h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qi2 h SER 143 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qi2 h SER 143 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1qi2 n ASP 144 N -2.92 1.91 -4.22 4.97 8.00 -1.26 -4.79 116.55 118.24 1qi2 n ASP 144 Ca 0.01 -1.70 -0.36 0.00 0.71 0.00 0.00 54.79 53.46 1qi2 n ASP 144 Cb 0.29 -0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.17 1qi2 n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1qi2 s VAL 145 N -1.84 3.22 0.23 2.53 1.01 -0.97 -4.93 120.40 119.65 1qi2 s VAL 145 Ca 0.34 -1.13 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1qi2 s VAL 145 Cb 0.19 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1qi2 s VAL 145 CO 0.29 0.01 -0.08 0.42 0.00 0.00 0.00 175.10 175.74 1qi2 s THR 146 N 1.34 1.52 0.11 3.92 -4.23 -1.26 -4.71 115.64 112.33 1qi2 s THR 146 Ca -0.02 -2.13 -0.25 0.00 -1.18 0.00 0.00 61.69 58.11 1qi2 s THR 146 Cb -0.18 -2.24 -0.08 0.00 1.34 0.00 0.00 72.50 71.33 1qi2 s THR 146 CO -0.01 -0.44 1.67 -0.25 -0.54 0.00 0.00 174.62 175.05 1qi2 h TRP 147 N 2.45 -0.44 -0.49 3.99 2.91 -1.95 -0.25 115.95 122.17 1qi2 h TRP 147 Ca -0.39 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.56 1qi2 h TRP 147 Cb 1.22 0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 30.05 1qi2 h TRP 147 CO 0.67 -0.25 -0.02 0.78 -1.03 0.00 0.00 178.44 178.59 1qi2 h GLY 148 N -0.31 0.95 0.92 2.65 0.00 -1.96 0.16 103.07 105.49 1qi2 h GLY 148 Ca 0.04 -0.72 -0.32 0.00 0.00 0.00 0.00 47.33 46.33 1qi2 h GLY 148 CO -0.12 0.66 -1.76 3.43 0.00 0.00 0.00 176.54 178.75 1qi2 h ASN 149 N 0.74 0.29 0.00 0.19 2.35 -1.97 -3.42 115.58 113.76 1qi2 h ASN 149 Ca 0.14 -0.55 -0.07 0.00 -0.55 0.00 0.00 56.30 55.27 1qi2 h ASN 149 Cb 0.54 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1qi2 h ASN 149 CO 0.03 1.48 -1.23 0.00 -1.65 0.00 0.00 177.43 176.06 1qi2 n GLN 150 N -3.35 0.09 -0.04 0.81 3.00 -0.21 -4.77 117.38 112.92 1qi2 n GLN 150 Ca -0.22 0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.66 1qi2 n GLN 150 Cb 1.05 -0.78 -0.11 0.00 0.00 0.00 0.00 30.24 30.40 1qi2 n GLN 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1qi2 h ILE 151 N -0.10 1.56 -0.14 5.09 2.04 -1.20 -2.68 117.51 122.09 1qi2 h ILE 151 Ca -0.10 -1.82 0.02 0.00 1.00 0.00 0.00 64.86 63.96 1qi2 h ILE 151 Cb 1.11 2.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.91 1qi2 h ILE 151 CO -0.05 0.49 0.01 0.50 0.00 0.00 0.00 178.15 179.10 1qi2 h LYS 152 N -0.61 0.06 -0.93 2.37 3.64 -0.92 -0.35 116.57 119.83 1qi2 h LYS 152 Ca -0.01 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1qi2 h LYS 152 Cb 0.86 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1qi2 h LYS 152 CO 0.02 0.04 0.61 -1.35 -2.27 0.00 0.00 179.45 176.51 1qi2 h PRO 153 N 0.06 1.20 -0.05 1.90 0.11 -1.78 0.16 132.00 133.61 1qi2 h PRO 153 Ca 0.06 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.11 1qi2 h PRO 153 Cb 0.06 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.89 1qi2 h PRO 153 CO -0.09 0.79 -0.01 -0.92 -0.21 0.00 0.00 178.00 177.56 1qi2 h TYR 154 N 1.24 -0.03 -0.91 0.65 3.20 -1.11 -2.39 116.97 117.62 1qi2 h TYR 154 Ca 0.35 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.25 1qi2 h TYR 154 Cb -0.10 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.14 1qi2 h TYR 154 CO -0.01 -0.02 0.60 0.00 -1.64 0.00 0.00 178.16 177.09 1qi2 h ALA 155 N 1.05 1.39 0.00 1.82 0.00 -0.38 -0.63 119.26 122.51 1qi2 h ALA 155 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qi2 h ALA 155 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1qi2 h ALA 155 CO -0.05 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.13 1qi2 n GLU 156 N -4.42 0.07 -0.12 0.00 1.02 0.50 -0.68 120.64 117.02 1qi2 n GLU 156 Ca 0.11 0.38 -0.14 0.00 -0.02 0.00 0.00 57.16 57.49 1qi2 n GLU 156 Cb 0.06 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 29.69 1qi2 n GLU 156 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1qi2 n GLU 157 N -1.79 0.68 0.03 3.49 2.13 -0.38 -4.47 120.64 120.33 1qi2 n GLU 157 Ca 0.02 0.08 -0.19 0.00 0.66 0.00 0.00 57.16 57.73 1qi2 n GLU 157 Cb 0.15 -1.51 -0.12 0.00 0.27 0.00 0.00 31.44 30.22 1qi2 n GLU 157 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1qi2 h VAL 158 N 0.00 1.44 -0.39 6.31 2.07 -0.82 -3.33 116.25 121.52 1qi2 h VAL 158 Ca -0.56 -2.26 0.07 0.00 0.82 0.00 0.00 66.70 64.77 1qi2 h VAL 158 Cb 2.03 2.79 -0.06 0.00 -1.52 0.00 0.00 31.29 34.53 1qi2 h VAL 158 CO -0.04 0.65 0.04 0.40 0.02 0.00 0.00 177.57 178.64 1qi2 h ILE 159 N -0.14 0.75 -0.39 4.57 2.04 -1.15 -1.33 117.51 121.86 1qi2 h ILE 159 Ca -0.11 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.75 1qi2 h ILE 159 Cb 1.48 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1qi2 h ILE 159 CO 0.14 0.03 0.27 -0.65 0.00 0.00 0.00 178.15 177.94 1qi2 h PRO 160 N 0.15 0.31 -0.33 2.37 0.11 -1.78 0.25 132.00 133.07 1qi2 h PRO 160 Ca 0.19 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 1qi2 h PRO 160 Cb 0.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1qi2 h PRO 160 CO -0.28 0.21 0.11 0.82 -0.21 0.00 0.00 178.00 178.65 1qi2 h ILE 161 N 0.32 1.20 -0.35 4.15 1.08 -1.37 -1.12 117.51 121.43 1qi2 h ILE 161 Ca 0.17 -0.65 -0.06 0.00 -0.39 0.00 0.00 64.86 63.93 1qi2 h ILE 161 Cb 0.27 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1qi2 h ILE 161 CO -0.04 0.22 -0.04 0.40 -0.69 0.00 0.00 178.15 178.01 1qi2 h ILE 162 N 0.39 1.27 0.00 -0.67 2.04 -0.71 -3.14 117.51 116.68 1qi2 h ILE 162 Ca 0.11 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 1qi2 h ILE 162 Cb 0.23 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1qi2 h ILE 162 CO -0.00 0.35 -0.12 0.03 0.00 0.00 0.00 178.15 178.40 1qi2 h ARG 163 N 0.44 0.00 -0.30 2.37 2.47 -0.39 0.22 114.38 119.19 1qi2 h ARG 163 Ca 0.09 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 1qi2 h ARG 163 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 1qi2 h ARG 163 CO 0.02 0.12 0.15 -0.97 0.56 0.00 0.00 179.97 179.85 1qi2 h ASN 164 N 0.00 0.37 0.00 7.04 -1.24 -1.15 -3.15 115.58 117.45 1qi2 h ASN 164 Ca -0.00 -0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.90 1qi2 h ASN 164 Cb 0.31 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1qi2 h ASN 164 CO 0.02 0.32 -1.81 0.59 -1.29 0.00 0.00 177.43 175.25 1qi2 n ASN 165 N -4.44 1.37 -3.35 1.15 3.02 -0.36 -4.88 115.26 107.77 1qi2 n ASN 165 Ca 0.01 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.38 1qi2 n ASN 165 Cb 0.11 1.46 -0.08 0.00 -0.61 0.00 0.00 39.78 40.66 1qi2 n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qi2 s ASP 166 N -4.13 1.33 0.62 6.41 -1.08 0.64 -4.74 116.67 115.71 1qi2 s ASP 166 Ca -0.06 -1.81 0.37 0.00 -0.52 0.00 0.00 52.55 50.53 1qi2 s ASP 166 Cb 0.08 0.40 2.04 0.00 -1.46 0.00 0.00 42.92 43.98 1qi2 s ASP 166 CO 0.64 -0.25 2.26 -0.65 0.52 0.00 0.00 175.17 177.70 1qi2 h PRO 167 N 6.83 0.00 0.00 4.34 0.11 -1.79 -3.35 132.00 138.15 1qi2 h PRO 167 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1qi2 h PRO 167 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1qi2 h PRO 167 CO 0.21 0.02 -0.18 0.27 -0.21 0.00 0.00 178.00 178.11 1qi2 n ASN 168 N -3.36 0.88 -4.74 -2.05 0.23 -1.26 -4.99 115.26 99.98 1qi2 n ASN 168 Ca -0.02 -0.16 -0.35 0.00 -0.53 0.00 0.00 54.58 53.52 1qi2 n ASN 168 Cb 0.12 0.49 0.07 0.00 -2.08 0.00 0.00 39.78 38.38 1qi2 n ASN 168 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1qi2 s ASN 169 N -0.67 4.61 0.32 0.53 -0.87 -1.26 -4.89 114.94 112.71 1qi2 s ASN 169 Ca 0.00 2.37 -0.29 0.00 -1.57 0.00 0.00 52.86 53.37 1qi2 s ASN 169 Cb 0.00 -2.59 -0.10 0.00 -0.02 0.00 0.00 41.25 38.53 1qi2 s ASN 169 CO 0.00 -1.99 1.38 -0.63 -2.57 0.00 0.00 177.10 173.29 1qi2 s ILE 170 N -1.83 2.57 -0.15 0.60 -1.09 -1.26 -4.90 121.20 115.13 1qi2 s ILE 170 Ca 0.76 0.54 0.02 0.00 -2.23 0.00 0.00 60.65 59.74 1qi2 s ILE 170 Cb -0.30 -3.35 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1qi2 s ILE 170 CO 0.41 0.12 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.41 1qi2 s ILE 171 N -0.84 2.20 -0.20 2.92 1.01 -0.83 -1.36 121.20 124.10 1qi2 s ILE 171 Ca 0.52 -0.92 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1qi2 s ILE 171 Cb -0.42 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1qi2 s ILE 171 CO 0.52 0.54 0.16 -0.63 0.00 0.00 0.00 174.94 175.54 1qi2 s ILE 172 N 0.91 5.38 -0.15 2.92 1.01 0.16 -1.23 121.20 130.20 1qi2 s ILE 172 Ca -0.04 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1qi2 s ILE 172 Cb -0.15 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1qi2 s ILE 172 CO -0.03 0.41 -0.14 -0.69 0.00 0.00 0.00 174.94 174.48 1qi2 s VAL 173 N 0.52 2.75 0.81 2.92 1.01 0.03 -2.20 120.40 126.25 1qi2 s VAL 173 Ca 0.09 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1qi2 s VAL 173 Cb -0.12 -2.17 0.08 0.00 0.00 0.00 0.00 36.38 34.18 1qi2 s VAL 173 CO 0.00 0.51 1.12 -0.83 0.00 0.00 0.00 175.10 175.91 1qi2 s GLY 174 N 0.77 1.79 0.42 4.51 0.00 -1.19 -1.07 107.32 112.55 1qi2 s GLY 174 Ca -0.06 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.17 1qi2 s GLY 174 CO 0.01 0.84 0.04 -0.51 0.00 0.00 0.00 173.10 173.48 1qi2 s THR 175 N -2.68 1.29 0.94 0.90 -4.23 -1.26 -4.77 115.64 105.83 1qi2 s THR 175 Ca 0.65 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 1qi2 s THR 175 Cb -0.21 -2.58 0.16 0.00 1.34 0.00 0.00 72.50 71.21 1qi2 s THR 175 CO 0.54 0.00 1.09 -0.83 -0.54 0.00 0.00 174.62 174.88 1qi2 s GLY 176 N -3.68 1.62 -1.17 3.99 0.00 -1.26 -1.32 107.32 105.50 1qi2 s GLY 176 Ca 0.25 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 1qi2 s GLY 176 CO 0.12 0.60 0.80 2.41 0.00 0.00 0.00 173.10 177.03 1qi2 n THR 177 N -4.14 -6.34 -3.51 0.90 -1.04 -1.24 -1.05 114.28 97.87 1qi2 n THR 177 Ca 0.07 -0.93 -0.19 0.00 -2.04 0.00 0.00 64.05 60.96 1qi2 n THR 177 Cb 0.54 -4.76 0.08 0.00 -1.82 0.00 0.00 70.33 64.37 1qi2 n THR 177 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1qi2 n TRP 178 N -3.96 -2.24 -3.74 -1.42 8.01 -0.23 -2.78 117.44 111.08 1qi2 n TRP 178 Ca -0.15 0.93 -0.23 0.00 -1.31 0.00 0.00 57.50 56.74 1qi2 n TRP 178 Cb 0.62 -4.95 0.04 0.00 -2.01 0.00 0.00 31.31 25.01 1qi2 n TRP 178 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1qi2 n SER 179 N -3.10 -2.27 -0.05 -0.99 7.64 -0.44 -4.45 113.62 109.96 1qi2 n SER 179 Ca -0.24 -0.79 -0.05 0.00 1.01 0.00 0.00 58.87 58.79 1qi2 n SER 179 Cb 0.65 -4.10 -0.07 0.00 -1.01 0.00 0.00 64.21 59.68 1qi2 n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qi2 n GLN 180 N -4.40 1.93 -1.13 1.43 6.02 -0.21 -0.62 117.38 120.40 1qi2 n GLN 180 Ca -0.21 0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.53 1qi2 n GLN 180 Cb 0.64 -1.23 -0.08 0.00 1.02 0.00 0.00 30.24 30.58 1qi2 n GLN 180 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1qi2 n ASP 181 N -2.47 7.01 0.23 1.08 8.00 -0.35 -4.53 116.55 125.51 1qi2 n ASP 181 Ca -0.16 -2.50 0.16 0.00 0.71 0.00 0.00 54.79 52.99 1qi2 n ASP 181 Cb 0.78 -1.45 0.62 0.00 -0.02 0.00 0.00 41.12 41.05 1qi2 n ASP 181 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1qi2 h VAL 182 N 2.64 0.00 -0.33 2.53 -1.51 -1.87 -2.98 116.25 114.73 1qi2 h VAL 182 Ca 0.57 -0.42 -0.13 0.00 -1.23 0.00 0.00 66.70 65.49 1qi2 h VAL 182 Cb 0.75 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 31.25 1qi2 h VAL 182 CO 1.14 0.00 -0.29 1.12 -1.23 0.00 0.00 177.57 178.31 1qi2 h HIS 183 N 0.00 0.94 -0.65 5.19 2.07 -1.80 -0.29 115.15 120.61 1qi2 h HIS 183 Ca 0.00 -0.27 -0.05 0.00 -2.85 0.00 0.00 60.37 57.20 1qi2 h HIS 183 Cb 0.47 -0.20 -0.03 0.00 2.57 0.00 0.00 27.41 30.22 1qi2 h HIS 183 CO 0.00 1.04 0.21 0.45 -3.07 0.00 0.00 177.93 176.57 1qi2 h HIS 184 N 0.56 1.04 -0.44 6.12 3.86 -1.92 -2.28 115.15 122.09 1qi2 h HIS 184 Ca 0.06 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1qi2 h HIS 184 Cb 0.86 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1qi2 h HIS 184 CO 0.07 0.84 0.14 0.00 0.86 0.00 0.00 177.93 179.84 1qi2 h ALA 185 N 1.09 0.58 0.00 2.45 0.00 -1.50 -2.74 119.26 119.14 1qi2 h ALA 185 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1qi2 h ALA 185 Cb 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qi2 h ALA 185 CO -0.01 0.22 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 1qi2 h ALA 186 N 0.99 1.41 -0.00 0.00 0.00 -0.81 -1.06 119.26 119.79 1qi2 h ALA 186 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qi2 h ALA 186 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1qi2 h ALA 186 CO -0.01 0.06 -0.19 -0.25 0.00 0.00 0.00 179.25 178.86 1qi2 n ASP 187 N -3.74 0.52 -2.96 0.00 8.00 -0.88 -4.27 116.55 113.23 1qi2 n ASP 187 Ca -0.03 -0.45 -0.14 0.00 0.71 0.00 0.00 54.79 54.89 1qi2 n ASP 187 Cb 0.14 -0.03 0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1qi2 n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qi2 n ASN 188 N -1.06 -0.88 -4.77 -2.24 5.15 -0.46 -5.10 115.26 105.91 1qi2 n ASN 188 Ca 0.12 -3.32 -0.34 0.00 -0.60 0.00 0.00 54.58 50.43 1qi2 n ASN 188 Cb 0.31 0.68 0.03 0.00 -0.53 0.00 0.00 39.78 40.27 1qi2 n ASN 188 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1qi2 s GLN 189 N -0.94 3.05 0.68 1.20 -0.21 -0.88 -4.86 119.66 117.70 1qi2 s GLN 189 Ca 0.31 1.56 -0.14 0.00 0.02 0.00 0.00 55.36 57.10 1qi2 s GLN 189 Cb 0.30 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.36 1qi2 s GLN 189 CO -0.08 -1.08 1.12 -0.51 -2.12 0.00 0.00 175.29 172.62 1qi2 s LEU 190 N -4.29 3.34 0.15 2.90 1.43 -1.26 -4.98 118.68 115.97 1qi2 s LEU 190 Ca 0.71 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.93 1qi2 s LEU 190 Cb -0.23 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.31 1qi2 s LEU 190 CO 0.34 -1.77 1.33 0.00 0.23 0.00 0.00 176.35 176.48 1qi2 h ALA 191 N -0.15 0.45 -2.38 4.21 0.00 -2.02 -3.46 119.26 115.92 1qi2 h ALA 191 Ca -0.47 -0.82 -0.55 0.00 0.00 0.00 0.00 54.91 53.07 1qi2 h ALA 191 Cb 1.25 -0.14 0.04 0.00 0.00 0.00 0.00 17.79 18.93 1qi2 h ALA 191 CO 0.53 1.13 1.07 -3.47 0.00 0.00 0.00 179.25 178.52 1qi2 n ASP 192 N -3.38 3.82 0.25 0.00 -0.08 -1.26 -4.86 116.55 111.05 1qi2 n ASP 192 Ca 0.00 0.99 0.12 0.00 -1.51 0.00 0.00 54.79 54.39 1qi2 n ASP 192 Cb 0.88 -1.50 0.65 0.00 2.34 0.00 0.00 41.12 43.50 1qi2 n ASP 192 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1qi2 h PRO 193 N 8.43 0.00 -1.82 -0.67 0.13 -1.98 -3.24 132.00 132.85 1qi2 h PRO 193 Ca -0.47 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.95 1qi2 h PRO 193 Cb 1.24 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 1qi2 h PRO 193 CO 0.94 0.15 0.56 0.09 -0.23 0.00 0.00 178.00 179.51 1qi2 n ASN 194 N -3.56 6.76 -4.52 1.44 3.02 -1.26 -4.41 115.26 112.75 1qi2 n ASN 194 Ca -0.01 -3.81 -0.26 0.00 -0.03 0.00 0.00 54.58 50.47 1qi2 n ASN 194 Cb 0.29 -0.90 -0.10 0.00 -0.61 0.00 0.00 39.78 38.47 1qi2 n ASN 194 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1qi2 s VAL 195 N -5.19 2.86 0.04 2.41 -7.23 -1.23 -1.96 120.40 110.11 1qi2 s VAL 195 Ca 0.51 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 1qi2 s VAL 195 Cb 0.43 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 1qi2 s VAL 195 CO -0.34 -0.15 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.17 1qi2 s MET 196 N -2.87 0.60 -0.13 4.82 -1.94 -0.36 -4.59 119.30 114.83 1qi2 s MET 196 Ca 0.24 -0.75 -0.06 0.00 -1.71 0.00 0.00 55.69 53.41 1qi2 s MET 196 Cb -0.08 -0.45 -0.04 0.00 2.01 0.00 0.00 34.83 36.27 1qi2 s MET 196 CO 0.14 0.09 0.11 0.71 -0.01 0.00 0.00 175.02 176.05 1qi2 s TYR 197 N -1.21 3.47 0.26 -0.03 2.02 0.60 -0.79 117.35 121.66 1qi2 s TYR 197 Ca -0.07 0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.75 1qi2 s TYR 197 Cb -0.09 -1.95 -0.09 0.00 -0.40 0.00 0.00 41.96 39.43 1qi2 s TYR 197 CO 0.01 0.59 0.96 0.00 -1.57 0.00 0.00 175.55 175.54 1qi2 s ALA 198 N -0.74 3.32 -0.09 3.71 0.00 -0.24 -1.37 121.76 126.36 1qi2 s ALA 198 Ca 0.13 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.73 1qi2 s ALA 198 Cb -0.12 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1qi2 s ALA 198 CO 0.03 0.16 -0.10 0.12 0.00 0.00 0.00 175.76 175.97 1qi2 s PHE 199 N -1.26 1.46 -0.04 0.00 5.36 -0.91 -4.26 117.98 118.33 1qi2 s PHE 199 Ca 0.43 -0.63 0.07 0.00 -0.96 0.00 0.00 56.93 55.83 1qi2 s PHE 199 Cb -0.25 -1.14 -0.01 0.00 -0.34 0.00 0.00 43.02 41.27 1qi2 s PHE 199 CO 0.31 -0.39 -0.25 -1.01 -1.46 0.00 0.00 175.22 172.42 1qi2 s HIS 200 N 1.17 2.41 0.07 10.12 3.76 0.21 -3.73 115.29 129.30 1qi2 s HIS 200 Ca -0.05 -0.59 -0.05 0.00 -0.15 0.00 0.00 55.06 54.22 1qi2 s HIS 200 Cb -0.14 -1.56 -0.02 0.00 1.11 0.00 0.00 32.58 31.96 1qi2 s HIS 200 CO -0.02 -0.13 0.08 -0.59 -0.85 0.00 0.00 174.74 173.22 1qi2 s PHE 201 N -0.35 0.33 -0.10 1.40 -0.12 -1.18 -4.67 117.98 113.29 1qi2 s PHE 201 Ca 0.02 -0.81 0.02 0.00 -0.05 0.00 0.00 56.93 56.10 1qi2 s PHE 201 Cb -0.12 -0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1qi2 s PHE 201 CO 0.02 -0.45 -0.15 0.71 -0.05 0.00 0.00 175.22 175.30 1qi2 s TYR 202 N -3.80 1.92 0.26 3.49 1.51 -1.26 -1.59 117.35 117.87 1qi2 s TYR 202 Ca 0.05 -0.88 0.35 0.00 -1.01 0.00 0.00 57.07 55.58 1qi2 s TYR 202 Cb 0.06 -1.39 1.84 0.00 -0.11 0.00 0.00 41.96 42.36 1qi2 s TYR 202 CO -0.10 -0.45 2.06 0.00 -1.11 0.00 0.00 175.55 175.95 1qi2 h ALA 203 N 7.37 1.00 -0.32 3.71 0.00 -0.96 -0.37 119.26 129.69 1qi2 h ALA 203 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qi2 h ALA 203 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1qi2 h ALA 203 CO 0.48 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.14 1qi2 n GLY 204 N -1.00 1.16 0.00 0.00 0.00 -0.52 -4.48 105.19 100.36 1qi2 n GLY 204 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1qi2 n GLY 204 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1qi2 n THR 205 N 1.02 0.00 -4.73 2.61 -1.04 -0.77 -4.77 114.28 106.61 1qi2 n THR 205 Ca 0.18 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.86 1qi2 n THR 205 Cb 0.49 -0.16 -0.12 0.00 -1.82 0.00 0.00 70.33 68.72 1qi2 n THR 205 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1qi2 s HIS 206 N -1.21 2.84 0.00 -1.42 3.76 -0.22 -5.02 115.29 114.03 1qi2 s HIS 206 Ca 0.00 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 1qi2 s HIS 206 Cb 0.00 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1qi2 s HIS 206 CO 0.00 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.53 1qi2 n GLY 207 N 2.39 5.30 0.36 -2.22 0.00 -1.26 -4.66 105.19 105.11 1qi2 n GLY 207 Ca -0.18 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.08 1qi2 n GLY 207 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1qi2 h GLN 208 N 0.00 0.95 -0.97 1.61 5.75 -1.98 -1.38 115.11 119.10 1qi2 h GLN 208 Ca 0.00 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1qi2 h GLN 208 Cb 0.00 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.28 1qi2 h GLN 208 CO 0.00 0.63 0.64 -0.91 -2.65 0.00 0.00 178.83 176.54 1qi2 h ASN 209 N 0.98 1.09 0.74 -0.69 -0.26 -1.99 -0.23 115.58 115.22 1qi2 h ASN 209 Ca 0.51 -0.02 -0.19 0.00 -0.56 0.00 0.00 56.30 56.04 1qi2 h ASN 209 Cb 0.52 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1qi2 h ASN 209 CO -0.27 0.78 -0.86 -0.07 -1.06 0.00 0.00 177.43 175.94 1qi2 h LEU 210 N 1.29 0.10 -0.93 1.61 3.38 -1.76 -2.11 115.31 116.88 1qi2 h LEU 210 Ca 0.36 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1qi2 h LEU 210 Cb -0.11 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1qi2 h LEU 210 CO -0.09 0.91 0.57 0.03 0.09 0.00 0.00 178.44 179.95 1qi2 h ARG 211 N 0.04 1.26 -0.27 1.13 3.08 -0.63 -0.79 114.38 118.19 1qi2 h ARG 211 Ca -0.02 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1qi2 h ARG 211 Cb 1.50 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 1qi2 h ARG 211 CO 0.12 0.88 -0.22 -0.44 -1.07 0.00 0.00 179.97 179.24 1qi2 h ASP 212 N 1.28 0.51 -0.52 7.04 3.32 -0.85 -1.23 116.42 125.97 1qi2 h ASP 212 Ca 0.34 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 57.13 1qi2 h ASP 212 Cb -0.06 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1qi2 h ASP 212 CO -0.06 0.74 -0.01 -0.61 -1.72 0.00 0.00 179.24 177.57 1qi2 h GLN 213 N 0.46 0.93 -0.48 3.56 4.15 -0.78 -0.77 115.11 122.17 1qi2 h GLN 213 Ca 0.07 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 1qi2 h GLN 213 Cb 0.64 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1qi2 h GLN 213 CO 0.05 0.95 0.17 0.28 -1.93 0.00 0.00 178.83 178.35 1qi2 h VAL 214 N 0.80 1.22 -0.78 2.39 2.07 -0.91 -2.00 116.25 119.04 1qi2 h VAL 214 Ca 0.15 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1qi2 h VAL 214 Cb 0.54 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1qi2 h VAL 214 CO 0.03 0.26 0.52 0.44 0.02 0.00 0.00 177.57 178.84 1qi2 h ASP 215 N 0.64 0.84 -0.06 0.57 3.32 -0.91 0.29 116.42 121.11 1qi2 h ASP 215 Ca 0.16 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1qi2 h ASP 215 Cb 0.24 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1qi2 h ASP 215 CO -0.01 0.59 0.00 0.22 -1.72 0.00 0.00 179.24 178.32 1qi2 h TYR 216 N 0.98 0.00 -0.44 4.55 3.20 -0.77 0.91 116.97 125.41 1qi2 h TYR 216 Ca 0.31 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.22 1qi2 h TYR 216 Cb 0.01 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1qi2 h TYR 216 CO -0.00 -0.00 0.21 0.00 -1.64 0.00 0.00 178.16 176.72 1qi2 h ALA 217 N 1.05 0.55 -0.67 1.82 0.00 -0.58 -1.83 119.26 119.60 1qi2 h ALA 217 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1qi2 h ALA 217 Cb 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1qi2 h ALA 217 CO -0.04 -0.15 0.39 -0.07 0.00 0.00 0.00 179.25 179.37 1qi2 h LEU 218 N 0.42 0.81 -0.36 0.00 3.38 -0.64 -1.27 115.31 117.64 1qi2 h LEU 218 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1qi2 h LEU 218 Cb 0.12 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1qi2 h LEU 218 CO -0.15 0.63 0.00 0.47 0.09 0.00 0.00 178.44 179.48 1qi2 n ASP 219 N -4.39 0.29 -0.89 -0.43 8.00 0.29 -0.95 116.55 118.46 1qi2 n ASP 219 Ca 0.07 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.25 1qi2 n ASP 219 Cb 0.08 -0.64 0.28 0.00 -0.02 0.00 0.00 41.12 40.82 1qi2 n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qi2 n GLN 220 N -1.83 2.16 -0.75 -1.24 1.13 -0.50 -4.94 117.38 111.42 1qi2 n GLN 220 Ca 0.02 -1.76 0.00 0.00 -1.94 0.00 0.00 57.00 53.32 1qi2 n GLN 220 Cb 0.17 -1.45 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1qi2 n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1qi2 n GLY 221 N 1.33 0.70 3.78 1.08 0.00 -0.12 -5.00 105.19 106.96 1qi2 n GLY 221 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1qi2 n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qi2 s ALA 222 N -2.46 3.16 0.05 4.61 0.00 -1.12 -3.67 121.76 122.33 1qi2 s ALA 222 Ca 0.00 0.63 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 1qi2 s ALA 222 Cb 0.00 -3.24 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1qi2 s ALA 222 CO 0.00 -0.04 0.53 0.00 0.00 0.00 0.00 175.76 176.24 1qi2 s ALA 223 N -1.63 3.62 -0.08 0.00 0.00 -1.26 -4.45 121.76 117.96 1qi2 s ALA 223 Ca 0.54 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.49 1qi2 s ALA 223 Cb -0.21 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.36 1qi2 s ALA 223 CO 0.26 0.42 -0.14 0.42 0.00 0.00 0.00 175.76 176.73 1qi2 s ILE 224 N -1.10 1.33 -0.19 0.00 -1.09 -1.26 -0.29 121.20 118.60 1qi2 s ILE 224 Ca 0.28 -0.57 -0.02 0.00 -2.23 0.00 0.00 60.65 58.11 1qi2 s ILE 224 Cb -0.19 -1.21 -0.00 0.00 -1.58 0.00 0.00 42.46 39.48 1qi2 s ILE 224 CO 0.17 0.40 -0.11 0.12 -1.23 0.00 0.00 174.94 174.30 1qi2 s PHE 225 N 0.79 2.87 -1.29 3.97 2.19 -0.47 -4.47 117.98 121.56 1qi2 s PHE 225 Ca -0.12 -1.09 -0.14 0.00 0.33 0.00 0.00 56.93 55.92 1qi2 s PHE 225 Cb -0.16 -1.99 0.13 0.00 -1.31 0.00 0.00 43.02 39.69 1qi2 s PHE 225 CO 0.02 -0.55 1.76 0.28 1.83 0.00 0.00 175.22 178.55 1qi2 n VAL 226 N 4.46 4.08 1.09 3.12 0.31 -0.35 -2.14 118.33 128.90 1qi2 n VAL 226 Ca -0.19 -4.21 0.10 0.00 -0.01 0.00 0.00 64.34 60.03 1qi2 n VAL 226 Cb 0.51 -2.43 0.56 0.00 -0.91 0.00 0.00 33.84 31.56 1qi2 n VAL 226 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1qi2 n SER 227 N 5.89 0.00 -3.67 4.52 3.41 -1.24 -2.02 113.62 120.50 1qi2 n SER 227 Ca 0.43 -0.23 -0.08 0.00 -0.26 0.00 0.00 58.87 58.73 1qi2 n SER 227 Cb 0.41 -0.19 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 1qi2 n SER 227 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1qi2 s GLU 228 N -2.38 0.50 -0.05 4.33 2.12 -1.23 -4.41 118.70 117.58 1qi2 s GLU 228 Ca 0.24 1.03 -0.23 0.00 0.36 0.00 0.00 54.97 56.37 1qi2 s GLU 228 Cb 0.14 0.16 0.05 0.00 0.26 0.00 0.00 34.13 34.74 1qi2 s GLU 228 CO 0.29 -0.17 0.50 1.67 -0.54 0.00 0.00 175.26 177.01 1qi2 s TRP 229 N 1.79 -0.44 0.17 5.30 1.48 -1.11 -3.11 118.94 123.02 1qi2 s TRP 229 Ca -0.08 0.79 0.04 0.00 -1.06 0.00 0.00 56.10 55.79 1qi2 s TRP 229 Cb -0.08 0.25 -0.05 0.00 -1.16 0.00 0.00 33.47 32.43 1qi2 s TRP 229 CO -0.16 -0.48 -0.07 0.20 -4.06 0.00 0.00 176.95 172.38 1qi2 s GLY 230 N -1.08 1.22 0.00 3.67 0.00 -0.62 -0.69 107.32 109.82 1qi2 s GLY 230 Ca -0.11 -1.58 0.26 0.00 0.00 0.00 0.00 44.72 43.29 1qi2 s GLY 230 CO 0.06 -1.62 1.52 -1.30 0.00 0.00 0.00 173.10 171.77 1qi2 n THR 231 N -0.27 0.00 -2.31 0.90 -2.24 -1.26 -1.01 114.28 108.09 1qi2 n THR 231 Ca -0.09 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1qi2 n THR 231 Cb 0.62 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1qi2 n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qi2 n SER 232 N -0.82 0.00 -4.86 3.42 3.41 -1.26 -0.21 113.62 113.30 1qi2 n SER 232 Ca 0.11 -0.43 -0.29 0.00 -0.26 0.00 0.00 58.87 58.00 1qi2 n SER 232 Cb 0.35 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1qi2 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qi2 s ALA 233 N -2.12 2.37 -0.30 7.33 0.00 -0.29 -1.44 121.76 127.32 1qi2 s ALA 233 Ca 0.00 -0.56 0.19 0.00 0.00 0.00 0.00 51.96 51.58 1qi2 s ALA 233 Cb 0.00 -3.00 1.01 0.00 0.00 0.00 0.00 23.12 21.14 1qi2 s ALA 233 CO 0.00 -1.83 1.57 0.00 0.00 0.00 0.00 175.76 175.50 1qi2 n ALA 234 N -3.44 1.03 0.88 0.00 0.00 -1.26 -1.13 120.51 116.59 1qi2 n ALA 234 Ca 0.07 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1qi2 n ALA 234 Cb 0.60 -1.26 0.53 0.00 0.00 0.00 0.00 19.45 19.32 1qi2 n ALA 234 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qi2 n THR 235 N -2.15 0.18 -0.06 0.00 -2.24 -1.26 -4.87 114.28 103.87 1qi2 n THR 235 Ca -0.01 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1qi2 n THR 235 Cb 0.04 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 1qi2 n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qi2 n GLY 236 N 1.44 0.47 0.00 3.38 0.00 -0.28 -5.00 105.19 105.20 1qi2 n GLY 236 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1qi2 n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qi2 n ASP 237 N 0.00 0.05 -0.41 1.61 2.03 -1.25 -1.46 116.55 117.11 1qi2 n ASP 237 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1qi2 n ASP 237 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1qi2 n ASP 237 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qi2 n GLY 238 N 1.07 0.77 0.00 0.27 0.00 -1.26 -1.13 105.19 104.90 1qi2 n GLY 238 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1qi2 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi2 n GLY 239 N -2.30 2.41 3.22 -0.02 0.00 -1.26 -4.67 105.19 102.58 1qi2 n GLY 239 Ca -0.05 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 1qi2 n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qi2 s VAL 240 N -2.24 2.12 -0.64 1.61 0.11 -1.26 -3.92 120.40 116.17 1qi2 s VAL 240 Ca 0.00 -0.99 0.06 0.00 -2.93 0.00 0.00 61.98 58.11 1qi2 s VAL 240 Cb 0.00 -1.81 0.21 0.00 -1.53 0.00 0.00 36.38 33.25 1qi2 s VAL 240 CO 0.00 0.56 0.61 0.49 -3.33 0.00 0.00 175.10 173.42 1qi2 n PHE 241 N 3.59 3.00 0.24 1.54 3.01 0.71 -4.92 117.46 124.62 1qi2 n PHE 241 Ca -0.19 -4.14 0.14 0.00 1.01 0.00 0.00 57.45 54.27 1qi2 n PHE 241 Cb 0.53 -0.53 0.38 0.00 -0.01 0.00 0.00 39.48 39.85 1qi2 n PHE 241 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1qi2 h LEU 242 N 4.74 0.00 0.38 4.37 3.38 -1.95 -0.67 115.31 125.55 1qi2 h LEU 242 Ca 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1qi2 h LEU 242 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1qi2 h LEU 242 CO 0.74 0.01 -0.18 -0.78 0.09 0.00 0.00 178.44 178.32 1qi2 h ASP 243 N 0.00 -0.43 -0.10 -0.43 3.58 -1.97 -1.43 116.42 115.63 1qi2 h ASP 243 Ca -0.00 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.24 1qi2 h ASP 243 Cb 0.81 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.96 1qi2 h ASP 243 CO 0.00 -0.10 -0.21 -0.08 -2.88 0.00 0.00 179.24 175.97 1qi2 h GLU 244 N -0.79 0.52 -0.90 0.28 4.57 -1.85 -2.42 114.58 113.98 1qi2 h GLU 244 Ca -0.05 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1qi2 h GLU 244 Cb 0.52 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.03 1qi2 h GLU 244 CO 0.09 0.70 0.59 0.00 -1.18 0.00 0.00 179.01 179.21 1qi2 h ALA 245 N 1.32 1.42 -0.09 2.92 0.00 -1.03 -0.71 119.26 123.10 1qi2 h ALA 245 Ca 0.07 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1qi2 h ALA 245 Cb 0.62 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qi2 h ALA 245 CO 0.04 0.49 -0.31 0.37 0.00 0.00 0.00 179.25 179.85 1qi2 h GLN 246 N 1.14 0.16 -0.55 0.00 5.75 -0.77 0.23 115.11 121.06 1qi2 h GLN 246 Ca 0.36 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.78 1qi2 h GLN 246 Cb 0.01 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1qi2 h GLN 246 CO -0.11 0.46 0.28 0.28 -2.65 0.00 0.00 178.83 177.09 1qi2 h VAL 247 N 0.14 1.20 -0.57 2.39 2.07 -0.86 -1.28 116.25 119.35 1qi2 h VAL 247 Ca 0.02 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 1qi2 h VAL 247 Cb 0.62 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1qi2 h VAL 247 CO 0.05 0.22 0.06 -0.50 0.02 0.00 0.00 177.57 177.41 1qi2 h TRP 248 N 0.74 1.04 -0.35 1.57 4.06 -0.84 -1.82 115.95 120.36 1qi2 h TRP 248 Ca 0.19 -0.16 0.02 0.00 2.06 0.00 0.00 58.89 61.00 1qi2 h TRP 248 Cb 0.10 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 1qi2 h TRP 248 CO -0.01 0.92 0.18 0.82 -3.56 0.00 0.00 178.44 176.80 1qi2 h ILE 249 N 0.85 1.00 -0.49 1.49 1.08 -0.58 -0.81 117.51 120.05 1qi2 h ILE 249 Ca 0.17 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1qi2 h ILE 249 Cb 0.47 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1qi2 h ILE 249 CO 0.02 0.07 0.22 0.44 -0.69 0.00 0.00 178.15 178.20 1qi2 h ASP 250 N 0.38 0.67 -0.33 1.72 3.32 -1.08 -0.89 116.42 120.20 1qi2 h ASP 250 Ca 0.14 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1qi2 h ASP 250 Cb 0.04 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.36 1qi2 h ASP 250 CO -0.09 0.63 -0.03 0.15 -1.72 0.00 0.00 179.24 178.19 1qi2 h PHE 251 N 0.66 -0.07 -0.35 4.55 3.57 -1.09 0.31 116.94 124.52 1qi2 h PHE 251 Ca 0.17 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1qi2 h PHE 251 Cb 0.16 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1qi2 h PHE 251 CO -0.00 -0.09 -0.14 0.52 -2.23 0.00 0.00 178.31 176.37 1qi2 h MET 252 N 0.06 0.63 -0.57 1.11 2.86 -0.87 -2.67 114.93 115.49 1qi2 h MET 252 Ca 0.16 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1qi2 h MET 252 Cb 0.23 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1qi2 h MET 252 CO -0.30 0.75 -0.07 -0.44 1.06 0.00 0.00 176.91 177.92 1qi2 h ASP 253 N 0.57 1.04 -0.88 1.22 3.32 -0.58 0.61 116.42 121.72 1qi2 h ASP 253 Ca 0.10 -0.33 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 1qi2 h ASP 253 Cb 0.58 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1qi2 h ASP 253 CO 0.04 1.12 0.55 -0.08 -1.72 0.00 0.00 179.24 179.15 1qi2 h GLU 254 N 0.94 1.18 -0.02 3.56 4.81 -0.76 -2.12 114.58 122.18 1qi2 h GLU 254 Ca 0.15 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1qi2 h GLU 254 Cb 0.63 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1qi2 h GLU 254 CO 0.04 0.81 -0.04 0.54 -0.73 0.00 0.00 179.01 179.64 1qi2 n ARG 255 N -4.43 1.65 -2.59 1.92 1.74 -0.97 -4.95 116.66 109.03 1qi2 n ARG 255 Ca 0.09 -1.03 -0.21 0.00 -0.77 0.00 0.00 57.85 55.94 1qi2 n ARG 255 Cb 0.04 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1qi2 n ARG 255 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1qi2 n ASN 256 N 0.22 -5.73 -4.73 0.55 5.15 0.19 -4.94 115.26 105.97 1qi2 n ASN 256 Ca 0.17 -0.07 -0.41 0.00 -0.60 0.00 0.00 54.58 53.67 1qi2 n ASN 256 Cb 0.39 -4.74 -0.03 0.00 -0.53 0.00 0.00 39.78 34.86 1qi2 n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qi2 s LEU 257 N -6.18 4.44 0.53 1.20 1.43 0.16 -4.72 118.68 115.54 1qi2 s LEU 257 Ca 0.09 2.15 -0.17 0.00 -1.03 0.00 0.00 54.13 55.16 1qi2 s LEU 257 Cb -0.04 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 1qi2 s LEU 257 CO 0.11 -0.36 1.01 -0.44 0.23 0.00 0.00 176.35 176.90 1qi2 s SER 258 N 0.29 6.33 0.14 2.29 0.01 -1.26 -4.78 113.70 116.72 1qi2 s SER 258 Ca 0.53 1.73 -0.19 0.00 1.31 0.00 0.00 55.95 59.33 1qi2 s SER 258 Cb -0.31 -2.53 0.05 0.00 0.21 0.00 0.00 66.02 63.44 1qi2 s SER 258 CO 0.34 -0.79 0.49 -1.66 0.41 0.00 0.00 173.24 172.04 1qi2 s TRP 259 N -2.40 -0.36 -0.07 2.43 1.48 0.43 -1.22 118.94 119.23 1qi2 s TRP 259 Ca 0.62 0.09 -0.00 0.00 -1.06 0.00 0.00 56.10 55.75 1qi2 s TRP 259 Cb -0.13 0.40 0.03 0.00 -1.16 0.00 0.00 33.47 32.60 1qi2 s TRP 259 CO 0.29 -0.77 -0.03 0.00 -4.06 0.00 0.00 176.95 172.38 1qi2 s ALA 260 N -3.78 0.84 0.20 2.67 0.00 -0.86 -1.44 121.76 119.40 1qi2 s ALA 260 Ca 0.02 -0.21 -0.24 0.00 0.00 0.00 0.00 51.96 51.54 1qi2 s ALA 260 Cb 0.01 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.35 1qi2 s ALA 260 CO -0.12 -0.32 0.77 1.21 0.00 0.00 0.00 175.76 177.30 1qi2 s ASN 261 N 1.61 7.28 -0.28 0.00 3.84 -0.32 -2.76 114.94 124.31 1qi2 s ASN 261 Ca 0.00 1.59 -0.10 0.00 0.21 0.00 0.00 52.86 54.57 1qi2 s ASN 261 Cb -0.13 -2.48 -0.03 0.00 -0.55 0.00 0.00 41.25 38.06 1qi2 s ASN 261 CO -0.04 0.13 0.14 0.86 -2.79 0.00 0.00 177.10 175.41 1qi2 s TRP 262 N -1.30 3.17 0.26 0.43 -0.11 0.14 -0.67 118.94 120.85 1qi2 s TRP 262 Ca 0.39 -0.20 -0.20 0.00 1.22 0.00 0.00 56.10 57.31 1qi2 s TRP 262 Cb -0.21 -2.33 0.02 0.00 -1.50 0.00 0.00 33.47 29.45 1qi2 s TRP 262 CO 0.24 -0.29 0.66 -1.54 -4.62 0.00 0.00 176.95 171.40 1qi2 s SER 263 N 1.68 -0.27 -0.92 5.86 1.04 -1.11 -4.55 113.70 115.44 1qi2 s SER 263 Ca 0.06 -0.58 -0.19 0.00 0.48 0.00 0.00 55.95 55.72 1qi2 s SER 263 Cb -0.16 0.68 0.13 0.00 0.10 0.00 0.00 66.02 66.77 1qi2 s SER 263 CO 0.08 -1.26 1.11 -0.22 0.98 0.00 0.00 173.24 173.93 1qi2 s LEU 264 N -2.91 5.05 0.17 2.42 2.96 0.05 -1.25 118.68 125.17 1qi2 s LEU 264 Ca 0.11 -2.01 -0.19 0.00 -0.22 0.00 0.00 54.13 51.83 1qi2 s LEU 264 Cb -0.04 -2.40 0.04 0.00 0.50 0.00 0.00 46.19 44.29 1qi2 s LEU 264 CO 0.04 -1.07 0.51 0.28 -1.32 0.00 0.00 176.35 174.79 1qi2 s THR 265 N 2.71 0.03 -2.16 3.68 -1.32 -1.26 -3.97 115.64 113.36 1qi2 s THR 265 Ca 0.32 -0.53 0.21 0.00 -1.21 0.00 0.00 61.69 60.48 1qi2 s THR 265 Cb -0.05 -1.33 0.52 0.00 -1.51 0.00 0.00 72.50 70.13 1qi2 s THR 265 CO -0.09 -0.14 1.46 0.00 -2.21 0.00 0.00 174.62 173.64 1qi2 n HIS 266 N -0.32 0.71 -1.72 9.09 1.44 -1.26 -2.07 115.22 121.08 1qi2 n HIS 266 Ca -0.13 -0.35 -0.41 0.00 -2.01 0.00 0.00 57.72 54.82 1qi2 n HIS 266 Cb 0.63 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.76 1qi2 n HIS 266 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1qi2 n LYS 267 N 1.33 2.04 -2.04 -1.40 4.81 -1.26 -2.90 118.16 118.74 1qi2 n LYS 267 Ca 0.21 0.73 -0.42 0.00 -0.87 0.00 0.00 58.31 57.95 1qi2 n LYS 267 Cb 0.54 -2.47 -0.00 0.00 0.02 0.00 0.00 35.03 33.12 1qi2 n LYS 267 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1qi2 n ASP 268 N 0.06 4.25 -3.88 3.14 2.03 -1.26 -4.66 116.55 116.23 1qi2 n ASP 268 Ca 0.06 -2.87 -0.11 0.00 0.52 0.00 0.00 54.79 52.39 1qi2 n ASP 268 Cb 0.40 -1.69 -0.12 0.00 -0.72 0.00 0.00 41.12 38.99 1qi2 n ASP 268 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1qi2 s GLU 269 N 3.63 0.20 0.31 -0.67 -1.05 -1.26 -5.06 118.70 114.80 1qi2 s GLU 269 Ca 0.50 -0.12 0.08 0.00 -0.15 0.00 0.00 54.97 55.28 1qi2 s GLU 269 Cb 0.10 0.08 0.83 0.00 -0.44 0.00 0.00 34.13 34.70 1qi2 s GLU 269 CO -0.02 -0.04 1.74 0.77 0.95 0.00 0.00 175.26 178.66 1qi2 h SER 270 N 5.46 0.69 1.08 0.83 0.02 -1.86 -1.14 113.55 118.63 1qi2 h SER 270 Ca -0.27 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1qi2 h SER 270 Cb 1.20 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1qi2 h SER 270 CO 0.44 0.15 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 1qi2 n SER 271 N -4.86 0.75 -4.75 3.07 3.41 -0.53 -4.56 113.62 106.14 1qi2 n SER 271 Ca 0.25 0.63 -0.41 0.00 -0.26 0.00 0.00 58.87 59.08 1qi2 n SER 271 Cb 0.68 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 1qi2 n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qi2 s ALA 272 N -3.22 3.69 -0.27 7.33 0.00 -0.43 -2.73 121.76 126.12 1qi2 s ALA 272 Ca 0.07 1.50 0.20 0.00 0.00 0.00 0.00 51.96 53.73 1qi2 s ALA 272 Cb 0.11 -3.62 0.29 0.00 0.00 0.00 0.00 23.12 19.90 1qi2 s ALA 272 CO 0.49 -0.92 1.56 0.00 0.00 0.00 0.00 175.76 176.89 1qi2 h ALA 273 N 4.63 0.86 -2.68 0.00 0.00 -1.26 -3.38 119.26 117.42 1qi2 h ALA 273 Ca -0.47 -0.21 -0.62 0.00 0.00 0.00 0.00 54.91 53.62 1qi2 h ALA 273 Cb 1.22 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1qi2 h ALA 273 CO 0.77 0.28 -0.74 -0.51 0.00 0.00 0.00 179.25 179.05 1qi2 s LEU 274 N -6.35 2.78 0.39 0.00 1.43 -0.88 -1.52 118.68 114.52 1qi2 s LEU 274 Ca 0.05 -0.79 -0.13 0.00 -1.03 0.00 0.00 54.13 52.24 1qi2 s LEU 274 Cb 0.06 -1.40 -0.07 0.00 0.03 0.00 0.00 46.19 44.81 1qi2 s LEU 274 CO 0.70 0.07 0.78 -0.04 0.23 0.00 0.00 176.35 178.08 1qi2 s MET 275 N -3.14 3.87 0.14 1.70 -1.94 0.45 -4.34 119.30 116.05 1qi2 s MET 275 Ca 0.26 0.58 -0.34 0.00 -1.71 0.00 0.00 55.69 54.49 1qi2 s MET 275 Cb -0.07 -2.38 -0.16 0.00 2.01 0.00 0.00 34.83 34.23 1qi2 s MET 275 CO 0.15 0.01 1.20 -2.30 -0.01 0.00 0.00 175.02 174.07 1qi2 n PRO 276 N -0.99 1.13 -0.36 2.03 -0.02 -1.14 -1.35 135.00 134.29 1qi2 n PRO 276 Ca 0.03 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1qi2 n PRO 276 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1qi2 n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qi2 n GLY 277 N 2.15 1.07 3.69 -1.23 0.00 -1.26 -5.04 105.19 104.56 1qi2 n GLY 277 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1qi2 n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qi2 n ALA 278 N -0.54 1.12 -1.69 4.61 0.00 -0.46 -4.86 120.51 118.69 1qi2 n ALA 278 Ca 0.00 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 1qi2 n ALA 278 Cb 0.00 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.18 1qi2 n ALA 278 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1qi2 s ASN 279 N -0.56 6.42 0.54 0.00 3.84 -1.26 -4.88 114.94 119.03 1qi2 s ASN 279 Ca 0.61 2.75 0.26 0.00 0.21 0.00 0.00 52.86 56.69 1qi2 s ASN 279 Cb -0.52 -2.55 1.52 0.00 -0.55 0.00 0.00 41.25 39.14 1qi2 s ASN 279 CO 0.58 -1.03 2.13 -0.65 -2.79 0.00 0.00 177.10 175.34 1qi2 h PRO 280 N 9.27 0.00 -0.63 0.43 0.11 -1.89 -2.34 132.00 136.95 1qi2 h PRO 280 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qi2 h PRO 280 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qi2 h PRO 280 CO 0.95 0.08 0.00 0.25 -0.21 0.00 0.00 178.00 179.07 1qi2 n THR 281 N -3.85 1.37 -2.12 -1.15 -2.24 -1.26 -4.41 114.28 100.61 1qi2 n THR 281 Ca -0.02 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 1qi2 n THR 281 Cb 0.17 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1qi2 n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qi2 n GLY 282 N 1.14 -1.04 2.37 3.38 0.00 -0.88 -2.96 105.19 107.20 1qi2 n GLY 282 Ca 0.22 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.53 1qi2 n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qi2 n GLY 283 N 0.00 -0.22 3.77 -0.02 0.00 -1.26 -4.72 105.19 102.73 1qi2 n GLY 283 Ca 0.00 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1qi2 n GLY 283 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qi2 s TRP 284 N -2.80 2.46 0.60 1.61 0.51 -1.26 -5.02 118.94 115.04 1qi2 s TRP 284 Ca 0.05 1.26 -0.09 0.00 -2.12 0.00 0.00 56.10 55.20 1qi2 s TRP 284 Cb -0.02 -3.93 -0.01 0.00 -0.81 0.00 0.00 33.47 28.69 1qi2 s TRP 284 CO 0.07 -2.95 0.96 0.95 -0.51 0.00 0.00 176.95 175.47 1qi2 s THR 285 N -1.20 4.22 0.58 2.01 -4.23 -1.26 -4.93 115.64 110.83 1qi2 s THR 285 Ca 0.61 0.43 0.34 0.00 -1.18 0.00 0.00 61.69 61.89 1qi2 s THR 285 Cb -0.44 -3.68 0.38 0.00 1.34 0.00 0.00 72.50 70.10 1qi2 s THR 285 CO 0.57 -0.80 2.26 1.05 -0.54 0.00 0.00 174.62 177.16 1qi2 h GLU 286 N -0.25 0.00 0.00 3.99 4.11 -1.96 -0.46 114.58 120.02 1qi2 h GLU 286 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1qi2 h GLU 286 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1qi2 h GLU 286 CO 0.62 0.02 0.00 0.00 0.07 0.00 0.00 179.01 179.72 1qi2 h ALA 287 N 1.98 1.00 -0.01 1.06 0.00 -2.02 -2.64 119.26 118.64 1qi2 h ALA 287 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qi2 h ALA 287 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1qi2 h ALA 287 CO 0.00 0.00 -0.13 0.39 0.00 0.00 0.00 179.25 179.52 1qi2 n GLU 288 N -3.01 0.82 -3.92 0.00 1.02 -0.18 -4.81 120.64 110.56 1qi2 n GLU 288 Ca 0.02 -0.34 -0.35 0.00 -0.02 0.00 0.00 57.16 56.47 1qi2 n GLU 288 Cb 0.38 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.25 1qi2 n GLU 288 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1qi2 s LEU 289 N -2.41 4.32 0.83 -4.62 1.43 -1.00 -0.42 118.68 116.81 1qi2 s LEU 289 Ca 0.30 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.67 1qi2 s LEU 289 Cb 0.20 -2.34 0.13 0.00 0.03 0.00 0.00 46.19 44.21 1qi2 s LEU 289 CO 0.47 0.33 1.17 -0.94 0.23 0.00 0.00 176.35 177.60 1qi2 s SER 290 N -1.51 4.03 0.24 2.29 1.04 -0.58 -4.68 113.70 114.53 1qi2 s SER 290 Ca 0.21 0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.95 1qi2 s SER 290 Cb -0.12 -0.70 0.38 0.00 0.10 0.00 0.00 66.02 65.67 1qi2 s SER 290 CO 0.12 -2.14 1.82 -0.65 0.98 0.00 0.00 173.24 173.36 1qi2 h PRO 291 N -1.10 0.78 0.00 4.02 0.11 -1.89 0.43 132.00 134.36 1qi2 h PRO 291 Ca -0.44 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1qi2 h PRO 291 Cb 1.28 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qi2 h PRO 291 CO 0.51 0.52 -0.00 1.03 -0.21 0.00 0.00 178.00 179.84 1qi2 h SER 292 N 0.81 -0.00 -0.67 -2.05 0.87 -1.82 -1.85 113.55 108.84 1qi2 h SER 292 Ca 0.39 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.90 1qi2 h SER 292 Cb 0.32 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 1qi2 h SER 292 CO -0.23 0.07 0.42 1.23 -0.53 0.00 0.00 176.83 177.79 1qi2 h GLY 293 N -0.08 0.96 0.97 5.77 0.00 -1.41 0.41 103.07 109.69 1qi2 h GLY 293 Ca -0.00 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.02 1qi2 h GLY 293 CO 0.00 0.28 0.36 -0.84 0.00 0.00 0.00 176.54 176.35 1qi2 h THR 294 N 0.84 1.12 0.08 4.70 2.02 -0.02 -0.68 112.91 120.97 1qi2 h THR 294 Ca 0.26 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1qi2 h THR 294 Cb -0.01 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1qi2 h THR 294 CO -0.09 0.13 -0.04 0.15 0.37 0.00 0.00 175.52 176.04 1qi2 h PHE 295 N 0.74 -0.10 -0.77 3.16 3.57 -0.97 -2.02 116.94 120.56 1qi2 h PHE 295 Ca 0.21 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1qi2 h PHE 295 Cb -0.06 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1qi2 h PHE 295 CO -0.04 0.17 0.47 0.28 -2.23 0.00 0.00 178.31 176.96 1qi2 h VAL 296 N -0.36 1.21 -0.61 1.41 2.07 -0.81 -0.88 116.25 118.28 1qi2 h VAL 296 Ca -0.01 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1qi2 h VAL 296 Cb 0.31 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 1qi2 h VAL 296 CO 0.02 0.22 0.37 -0.09 0.02 0.00 0.00 177.57 178.10 1qi2 h ARG 297 N 1.05 0.69 -0.61 1.57 2.43 -1.10 -1.12 114.38 117.29 1qi2 h ARG 297 Ca 0.28 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1qi2 h ARG 297 Cb -0.05 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 1qi2 h ARG 297 CO -0.05 0.46 0.35 1.49 -1.51 0.00 0.00 179.97 180.71 1qi2 h GLU 298 N 0.71 0.83 -0.82 0.20 4.57 -0.73 -0.11 114.58 119.24 1qi2 h GLU 298 Ca 0.25 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1qi2 h GLU 298 Cb 0.04 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 1qi2 h GLU 298 CO -0.11 0.62 0.51 0.87 -1.18 0.00 0.00 179.01 179.71 1qi2 h LYS 299 N 0.82 0.94 -0.11 1.92 1.79 -0.27 0.11 116.57 121.77 1qi2 h LYS 299 Ca 0.22 -0.06 -0.22 0.00 -2.18 0.00 0.00 60.65 58.40 1qi2 h LYS 299 Cb 0.01 -0.21 0.01 0.00 -1.58 0.00 0.00 32.23 30.46 1qi2 h LYS 299 CO -0.04 0.62 -0.81 0.82 -1.08 0.00 0.00 179.45 178.96 1qi2 h ILE 300 N 0.97 1.29 -0.52 1.86 2.04 -0.95 -3.27 117.51 118.92 1qi2 h ILE 300 Ca 0.34 -2.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 1qi2 h ILE 300 Cb 0.09 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1qi2 h ILE 300 CO -0.14 0.63 0.15 0.03 0.00 0.00 0.00 178.15 178.82 1qi2 h ARG 301 N 0.45 0.82 0.00 2.37 3.08 -0.52 -2.05 114.38 118.52 1qi2 h ARG 301 Ca -0.07 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1qi2 h ARG 301 Cb 1.45 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1qi2 h ARG 301 CO 0.17 0.76 0.00 -0.85 -1.07 0.00 0.00 179.97 178.98 1qi2 n GLU 302 N -4.47 0.15 0.00 0.04 0.28 0.37 -1.54 120.64 115.46 1qi2 n GLU 302 Ca 0.02 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.19 1qi2 n GLU 302 Cb 0.20 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.57 1qi2 n GLU 302 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1qi2 n SER 303 N -1.25 0.72 -4.80 -1.84 3.41 -1.09 -5.07 113.62 103.70 1qi2 n SER 303 Ca 0.04 -1.09 -0.35 0.00 -0.26 0.00 0.00 58.87 57.21 1qi2 n SER 303 Cb 0.06 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.95 1qi2 n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qi2 s ALA 304 N -0.09 3.17 0.00 7.33 0.00 -0.59 -5.10 121.76 126.47 1qi2 s ALA 304 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1qi2 s ALA 304 Cb 0.00 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.00 1qi2 s ALA 304 CO 0.00 0.18 0.00 0.43 0.00 0.00 0.00 175.76 176.37