#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3s s ALA 2 N 0.00 0.91 0.20 7.33 0.00 -1.26 -5.13 121.76 123.81 2q3s s ALA 2 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 2q3s s ALA 2 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 2q3s s ALA 2 CO 0.00 0.16 0.40 0.45 0.00 0.00 0.00 175.76 176.77 2q3s s SER 3 N -0.92 -0.06 -0.75 0.00 0.15 -1.26 -5.10 113.70 105.75 2q3s s SER 3 Ca 0.00 -0.84 -0.00 0.00 0.70 0.00 0.00 55.95 55.81 2q3s s SER 3 Cb -0.07 0.52 0.19 0.00 -1.71 0.00 0.00 66.02 64.95 2q3s s SER 3 CO 0.01 -1.01 0.59 -0.36 1.20 0.00 0.00 173.24 173.66 2q3s s PHE 4 N -3.98 3.64 -1.33 3.44 0.40 -1.26 -4.95 117.98 113.94 2q3s s PHE 4 Ca 0.18 -3.02 0.04 0.00 -0.60 0.00 0.00 56.93 53.53 2q3s s PHE 4 Cb 0.01 -3.08 0.16 0.00 0.51 0.00 0.00 43.02 40.62 2q3s s PHE 4 CO 0.03 -0.72 0.91 -0.40 0.70 0.00 0.00 175.22 175.74 2q3s n ASP 5 N 2.62 1.52 -4.00 1.36 5.68 -1.26 -4.60 116.55 117.87 2q3s n ASP 5 Ca 0.16 -2.11 -0.30 0.00 -0.50 0.00 0.00 54.79 52.04 2q3s n ASP 5 Cb 0.36 -0.36 0.20 0.00 -1.14 0.00 0.00 41.12 40.19 2q3s n ASP 5 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2q3s s GLY 6 N -0.52 1.78 0.76 6.12 0.00 -1.06 -5.01 107.32 109.40 2q3s s GLY 6 Ca 0.11 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.46 2q3s s GLY 6 CO 0.05 -0.43 1.12 2.56 0.00 0.00 0.00 173.10 176.40 2q3s s PRO 7 N -5.89 2.20 0.21 2.90 0.04 -1.26 -4.47 135.00 128.73 2q3s s PRO 7 Ca 0.75 1.38 0.06 0.00 0.04 0.00 0.00 61.00 63.22 2q3s s PRO 7 Cb -0.03 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2q3s s PRO 7 CO 0.54 -1.71 0.20 -1.59 0.04 0.00 0.00 177.00 174.48 2q3s s LYS 8 N -4.49 3.03 -0.51 4.56 -2.85 -1.26 -2.08 119.74 116.14 2q3s s LYS 8 Ca 0.66 -0.90 0.04 0.00 -1.00 0.00 0.00 55.97 54.76 2q3s s LYS 8 Cb -0.21 -2.67 0.16 0.00 -2.06 0.00 0.00 37.83 33.05 2q3s s LYS 8 CO 0.51 0.45 0.37 -0.06 0.10 0.00 0.00 175.35 176.72 2q3s s PHE 9 N -1.92 2.01 1.03 1.78 0.08 0.12 -4.89 117.98 116.18 2q3s s PHE 9 Ca 0.32 -2.64 -0.24 0.00 0.12 0.00 0.00 56.93 54.49 2q3s s PHE 9 Cb -0.09 -1.63 -0.11 0.00 -0.57 0.00 0.00 43.02 40.61 2q3s s PHE 9 CO 0.25 -0.73 -1.03 1.17 -0.10 0.00 0.00 175.22 174.78 2q3s n LYS 10 N 2.70 -0.38 0.02 0.44 4.81 -1.25 -2.96 118.16 121.54 2q3s n LYS 10 Ca 0.23 -0.11 0.11 0.00 -0.87 0.00 0.00 58.31 57.68 2q3s n LYS 10 Cb 0.41 -1.19 0.10 0.00 0.02 0.00 0.00 35.03 34.37 2q3s n LYS 10 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2q3s n THR 12 N -3.59 0.11 -0.22 3.15 -2.24 -1.26 -4.90 114.28 105.33 2q3s n THR 12 Ca -0.01 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.75 2q3s n THR 12 Cb 0.69 0.29 0.31 0.00 -2.10 0.00 0.00 70.33 69.52 2q3s n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2q3s n ASP 13 N -1.76 3.76 0.00 3.42 5.75 -1.26 -4.92 116.55 121.54 2q3s n ASP 13 Ca 0.04 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 2q3s n ASP 13 Cb 0.39 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 2q3s n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 14 N 1.62 3.29 3.75 6.12 0.00 -1.26 -5.05 105.19 113.66 2q3s n GLY 14 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2q3s n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2q3s s SER 15 N -1.05 4.14 -0.21 1.61 1.04 -1.26 -4.92 113.70 113.04 2q3s s SER 15 Ca 0.00 1.63 0.02 0.00 0.48 0.00 0.00 55.95 58.07 2q3s s SER 15 Cb 0.00 -2.33 0.04 0.00 0.10 0.00 0.00 66.02 63.82 2q3s s SER 15 CO 0.00 -2.24 -0.15 -0.31 0.98 0.00 0.00 173.24 171.52 2q3s s TYR 16 N -2.95 2.84 -0.22 5.02 1.51 -1.26 -3.81 117.35 118.48 2q3s s TYR 16 Ca 0.62 -1.82 -0.26 0.00 -1.01 0.00 0.00 57.07 54.59 2q3s s TYR 16 Cb -0.17 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.81 2q3s s TYR 16 CO 0.56 -0.81 0.89 0.08 -1.11 0.00 0.00 175.55 175.16 2q3s s VAL 17 N 1.26 4.80 -0.09 0.71 1.01 -1.16 -4.79 120.40 122.14 2q3s s VAL 17 Ca -0.00 1.72 -0.23 0.00 0.00 0.00 0.00 61.98 63.47 2q3s s VAL 17 Cb -0.16 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 2q3s s VAL 17 CO -0.10 -0.08 0.69 -1.10 0.00 0.00 0.00 175.10 174.51 2q3s s GLN 18 N 2.80 4.39 0.47 2.72 -0.21 -0.65 0.15 119.66 129.33 2q3s s GLN 18 Ca 0.38 0.84 0.06 0.00 0.02 0.00 0.00 55.36 56.66 2q3s s GLN 18 Cb -0.15 -3.47 -0.02 0.00 1.00 0.00 0.00 33.01 30.37 2q3s s GLN 18 CO 0.08 -0.00 0.22 0.95 -2.12 0.00 0.00 175.29 174.42 2q3s s THR 19 N 1.04 1.89 -0.29 -0.19 -4.23 -0.88 -1.73 115.64 111.25 2q3s s THR 19 Ca 0.36 -1.68 -0.22 0.00 -1.18 0.00 0.00 61.69 58.97 2q3s s THR 19 Cb -0.17 -2.57 0.15 0.00 1.34 0.00 0.00 72.50 71.25 2q3s s THR 19 CO 0.16 0.00 1.13 -0.75 -0.54 0.00 0.00 174.62 174.62 2q3s s LYS 20 N -4.02 0.34 -0.10 3.99 2.47 -1.16 -2.57 119.74 118.69 2q3s s LYS 20 Ca 0.32 0.45 0.01 0.00 -1.56 0.00 0.00 55.97 55.20 2q3s s LYS 20 Cb 0.01 0.14 0.02 0.00 -1.46 0.00 0.00 37.83 36.54 2q3s s LYS 20 CO 0.19 -0.05 -0.12 0.99 0.16 0.00 0.00 175.35 176.51 2q3s s THR 21 N 0.50 1.27 -0.09 3.43 2.01 -1.26 -1.51 115.64 119.99 2q3s s THR 21 Ca 0.01 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.53 2q3s s THR 21 Cb -0.04 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 2q3s s THR 21 CO -0.11 0.40 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.42 2q3s s ILE 22 N 1.08 2.74 -0.41 1.82 1.01 -0.51 -5.00 121.20 121.93 2q3s s ILE 22 Ca -0.06 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 2q3s s ILE 22 Cb -0.15 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.25 2q3s s ILE 22 CO -0.02 0.56 0.62 -1.81 0.00 0.00 0.00 174.94 174.29 2q3s s ASP 23 N -0.07 6.34 -0.27 3.58 1.01 -1.26 -2.08 116.67 123.91 2q3s s ASP 23 Ca -0.04 -0.20 -0.20 0.00 0.71 0.00 0.00 52.55 52.82 2q3s s ASP 23 Cb -0.14 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.46 2q3s s ASP 23 CO 0.04 -0.70 0.63 -0.69 0.21 0.00 0.00 175.17 174.66 2q3s s VAL 24 N 2.73 4.97 0.03 -1.27 1.01 -1.03 -4.96 120.40 121.86 2q3s s VAL 24 Ca 0.22 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2q3s s VAL 24 Cb -0.14 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2q3s s VAL 24 CO 0.17 -0.04 0.03 0.61 0.00 0.00 0.00 175.10 175.88 2q3s n GLY 25 N 4.26 2.11 0.00 4.51 0.00 -1.26 -3.37 105.19 111.44 2q3s n GLY 25 Ca -0.01 -2.14 0.11 0.00 0.00 0.00 0.00 46.02 43.98 2q3s n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q3s n SER 26 N -2.81 0.00 0.00 1.61 3.41 -1.26 -3.35 113.62 111.22 2q3s n SER 26 Ca 0.01 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2q3s n SER 26 Cb 0.03 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2q3s n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2q3s n SER 27 N -1.38 1.06 -4.70 4.04 3.41 -1.26 -4.49 113.62 110.30 2q3s n SER 27 Ca 0.09 -1.37 -0.42 0.00 -0.26 0.00 0.00 58.87 56.90 2q3s n SER 27 Cb 0.22 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 2q3s n SER 27 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2q3s s THR 28 N -0.37 2.99 -0.40 6.66 2.01 -1.21 -4.97 115.64 120.35 2q3s s THR 28 Ca 0.00 0.60 -0.17 0.00 0.31 0.00 0.00 61.69 62.43 2q3s s THR 28 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.14 2q3s s THR 28 CO 0.00 0.02 0.45 -0.62 -0.69 0.00 0.00 174.62 173.79 2q3s s ASP 29 N 1.69 6.22 0.00 3.53 3.68 -1.26 -4.84 116.67 125.69 2q3s s ASP 29 Ca 0.70 -0.47 0.23 0.00 2.13 0.00 0.00 52.55 55.14 2q3s s ASP 29 Cb -0.40 -2.23 0.17 0.00 -1.45 0.00 0.00 42.92 39.01 2q3s s ASP 29 CO 0.31 -0.54 1.22 2.30 0.13 0.00 0.00 175.17 178.59 2q3s n ILE 30 N 5.44 0.00 -0.31 4.11 -5.35 -1.26 -4.42 119.36 117.57 2q3s n ILE 30 Ca -0.07 -0.49 0.10 0.00 -0.27 0.00 0.00 62.75 62.03 2q3s n ILE 30 Cb 0.48 1.47 0.32 0.00 -1.74 0.00 0.00 39.64 40.17 2q3s n ILE 30 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2q3s h SER 31 N 4.43 0.77 0.02 7.28 4.64 -1.92 -1.33 113.55 127.44 2q3s h SER 31 Ca 0.00 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2q3s h SER 31 Cb 0.95 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 2q3s h SER 31 CO 0.00 0.39 -0.06 -0.65 -0.87 0.00 0.00 176.83 175.63 2q3s h PRO 32 N 0.81 0.12 0.05 4.77 0.11 -2.00 0.41 132.00 136.27 2q3s h PRO 32 Ca 0.48 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.49 2q3s h PRO 32 Cb 0.65 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2q3s h PRO 32 CO -0.24 0.19 -0.42 1.88 -0.21 0.00 0.00 178.00 179.20 2q3s h TYR 33 N 0.12 0.18 -0.82 0.65 0.05 -1.59 -2.90 116.97 112.65 2q3s h TYR 33 Ca 0.03 -0.13 0.07 0.00 0.05 0.00 0.00 58.73 58.75 2q3s h TYR 33 Cb 0.20 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.88 2q3s h TYR 33 CO 0.00 1.16 0.53 -0.07 -1.05 0.00 0.00 178.16 178.73 2q3s h LEU 34 N -0.78 0.77 -0.72 3.88 3.38 -1.31 -0.81 115.31 119.72 2q3s h LEU 34 Ca -0.09 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2q3s h LEU 34 Cb 1.25 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 2q3s h LEU 34 CO 0.03 0.49 0.45 0.28 0.09 0.00 0.00 178.44 179.78 2q3s h SER 35 N 0.88 0.73 0.28 -0.43 0.02 -0.96 -1.20 113.55 112.87 2q3s h SER 35 Ca 0.35 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.16 2q3s h SER 35 Cb 0.25 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2q3s h SER 35 CO -0.13 0.50 -0.57 -0.07 -1.14 0.00 0.00 176.83 175.42 2q3s h LEU 36 N 0.86 0.33 0.66 5.07 3.38 -1.11 -0.88 115.31 123.63 2q3s h LEU 36 Ca 0.30 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2q3s h LEU 36 Cb 0.05 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.71 2q3s h LEU 36 CO -0.12 0.83 -0.32 0.40 0.09 0.00 0.00 178.44 179.32 2q3s h ILE 37 N 0.23 0.33 -0.92 1.22 1.08 -0.25 0.47 117.51 119.67 2q3s h ILE 37 Ca -0.00 -0.05 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 2q3s h ILE 37 Cb 1.07 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.11 2q3s h ILE 37 CO 0.09 0.01 0.59 -0.09 -0.69 0.00 0.00 178.15 178.06 2q3s h ARG 38 N -0.93 1.10 -0.24 2.37 2.43 -1.29 0.54 114.38 118.36 2q3s h ARG 38 Ca -0.09 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2q3s h ARG 38 Cb 0.70 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 2q3s h ARG 38 CO 0.15 0.72 0.15 1.49 -1.51 0.00 0.00 179.97 180.97 2q3s h GLU 39 N 1.13 0.32 -0.04 0.20 4.81 -0.87 0.74 114.58 120.87 2q3s h GLU 39 Ca 0.37 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2q3s h GLU 39 Cb 0.05 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2q3s h GLU 39 CO -0.13 0.25 -0.03 0.22 -0.73 0.00 0.00 179.01 178.59 2q3s h ASP 40 N 0.30 0.09 -0.53 1.04 1.82 0.89 0.21 116.42 120.24 2q3s h ASP 40 Ca 0.09 -0.45 0.11 0.00 -0.39 0.00 0.00 57.03 56.39 2q3s h ASP 40 Cb 0.00 -0.02 -0.11 0.00 0.68 0.00 0.00 39.33 39.88 2q3s h ASP 40 CO -0.02 0.52 -0.20 -1.28 -1.61 0.00 0.00 179.24 176.65 2q3s h SER 41 N -0.34 -0.71 0.39 2.28 0.87 0.16 1.49 113.55 117.70 2q3s h SER 41 Ca 0.01 0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 2q3s h SER 41 Cb 0.49 0.41 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2q3s h SER 41 CO 0.01 -0.23 -0.19 0.40 -0.53 0.00 0.00 176.83 176.29 2q3s h ILE 42 N -0.08 0.56 0.00 2.23 2.04 -0.76 0.74 117.51 122.24 2q3s h ILE 42 Ca 0.25 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2q3s h ILE 42 Cb 0.46 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2q3s h ILE 42 CO -0.59 0.08 0.00 -0.07 0.00 0.00 0.00 178.15 177.58 2q3s h LEU 43 N -0.83 0.00 -0.01 1.44 3.38 -0.70 -3.39 115.31 115.20 2q3s h LEU 43 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2q3s h LEU 43 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2q3s h LEU 43 CO 0.09 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.21 2q3s n ASN 44 N -2.86 0.01 -0.03 -0.43 3.02 0.51 -4.91 115.26 110.56 2q3s n ASN 44 Ca 0.04 -0.26 0.02 0.00 -0.03 0.00 0.00 54.58 54.34 2q3s n ASN 44 Cb 0.44 0.47 0.02 0.00 -0.61 0.00 0.00 39.78 40.11 2q3s n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q3s n GLY 45 N 0.47 2.36 2.27 7.41 0.00 0.24 -4.84 105.19 113.11 2q3s n GLY 45 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 2q3s n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q3s n ASN 46 N -0.57 -4.33 -1.70 1.61 5.03 -0.46 -3.25 115.26 111.60 2q3s n ASN 46 Ca 0.03 -0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.31 2q3s n ASN 46 Cb 0.37 -3.48 -0.03 0.00 -1.02 0.00 0.00 39.78 35.62 2q3s n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2q3s n ARG 47 N -2.36 -1.28 -4.06 3.52 1.74 -0.08 -4.98 116.66 109.17 2q3s n ARG 47 Ca -0.17 0.90 -0.35 0.00 -0.77 0.00 0.00 57.85 57.46 2q3s n ARG 47 Cb 0.62 -5.25 -0.07 0.00 -1.02 0.00 0.00 32.46 26.74 2q3s n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q3s s ALA 48 N -2.76 3.68 -0.15 7.54 0.00 -1.20 -1.70 121.76 127.16 2q3s s ALA 48 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2q3s s ALA 48 Cb 0.00 -1.73 0.05 0.00 0.00 0.00 0.00 23.12 21.44 2q3s s ALA 48 CO 0.00 0.66 0.01 0.08 0.00 0.00 0.00 175.76 176.51 2q3s s VAL 49 N -1.11 0.56 0.49 0.00 1.01 -0.77 -4.78 120.40 115.81 2q3s s VAL 49 Ca 0.19 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 2q3s s VAL 49 Cb -0.12 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 2q3s s VAL 49 CO 0.09 0.00 0.85 -0.63 0.00 0.00 0.00 175.10 175.42 2q3s s ILE 50 N 1.87 4.80 0.38 2.22 1.09 -0.88 -0.49 121.20 130.20 2q3s s ILE 50 Ca 0.01 0.54 -0.14 0.00 -1.10 0.00 0.00 60.65 59.97 2q3s s ILE 50 Cb -0.15 -3.82 0.05 0.00 -1.06 0.00 0.00 42.46 37.48 2q3s s ILE 50 CO -0.07 -0.82 0.75 2.22 -0.10 0.00 0.00 174.94 176.92 2q3s n PHE 51 N -2.06 -2.28 -3.56 3.97 1.16 0.29 -1.53 117.46 113.45 2q3s n PHE 51 Ca 0.03 -1.84 -0.09 0.00 -1.87 0.00 0.00 57.45 53.68 2q3s n PHE 51 Cb 0.54 0.88 -0.04 0.00 -1.61 0.00 0.00 39.48 39.26 2q3s n PHE 51 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2q3s s ASP 52 N -3.02 -0.35 0.14 5.98 -1.08 -0.99 -4.33 116.67 113.03 2q3s s ASP 52 Ca 0.16 0.25 0.09 0.00 -0.52 0.00 0.00 52.55 52.53 2q3s s ASP 52 Cb -0.05 0.31 -0.04 0.00 -1.46 0.00 0.00 42.92 41.69 2q3s s ASP 52 CO 0.12 -0.42 -0.20 0.68 0.52 0.00 0.00 175.17 175.88 2q3s s VAL 53 N -1.82 1.84 -0.11 1.11 -7.23 -1.26 -0.78 120.40 112.15 2q3s s VAL 53 Ca 0.01 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2q3s s VAL 53 Cb -0.01 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2q3s s VAL 53 CO -0.02 -0.20 -0.15 -0.31 -0.31 0.00 0.00 175.10 174.11 2q3s s TYR 54 N -1.70 2.75 -0.12 2.82 1.51 0.63 -4.98 117.35 118.26 2q3s s TYR 54 Ca 0.13 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.60 2q3s s TYR 54 Cb -0.07 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.98 2q3s s TYR 54 CO 0.06 -0.15 -0.09 -1.58 -1.11 0.00 0.00 175.55 172.68 2q3s s TRP 55 N 0.10 2.89 -0.25 2.71 0.52 -1.26 -1.59 118.94 122.05 2q3s s TRP 55 Ca -0.07 -0.41 -0.15 0.00 0.02 0.00 0.00 56.10 55.49 2q3s s TRP 55 Cb -0.15 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2q3s s TRP 55 CO 0.05 -0.05 0.39 0.34 0.02 0.00 0.00 176.95 177.70 2q3s s ASP 56 N 0.11 6.31 -0.07 2.95 3.68 0.11 -4.89 116.67 124.88 2q3s s ASP 56 Ca -0.04 0.37 -0.22 0.00 2.13 0.00 0.00 52.55 54.78 2q3s s ASP 56 Cb -0.14 -2.22 -0.04 0.00 -1.45 0.00 0.00 42.92 39.07 2q3s s ASP 56 CO 0.04 -0.17 0.65 -0.69 0.13 0.00 0.00 175.17 175.13 2q3s s VAL 57 N 1.90 5.06 0.37 1.11 1.01 -1.26 0.99 120.40 129.58 2q3s s VAL 57 Ca 0.16 1.33 0.06 0.00 0.00 0.00 0.00 61.98 63.54 2q3s s VAL 57 Cb -0.15 -3.99 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 2q3s s VAL 57 CO 0.09 0.28 0.02 -0.83 0.00 0.00 0.00 175.10 174.66 2q3s s GLY 58 N 0.67 2.30 -0.30 4.51 0.00 0.59 -4.96 107.32 110.13 2q3s s GLY 58 Ca 0.35 -2.19 0.02 0.00 0.00 0.00 0.00 44.72 42.90 2q3s s GLY 58 CO 0.17 -1.98 0.01 -1.36 0.00 0.00 0.00 173.10 169.94 2q3s s PHE 59 N -2.93 3.01 0.00 1.90 2.99 -1.26 -4.63 117.98 117.06 2q3s s PHE 59 Ca 0.35 -2.40 0.00 0.00 0.00 0.00 0.00 56.93 54.88 2q3s s PHE 59 Cb 0.09 -2.26 0.00 0.00 0.00 0.00 0.00 43.02 40.85 2q3s s PHE 59 CO 0.17 -0.89 0.00 -2.37 -0.00 0.00 0.00 175.22 172.13 2q3s n THR 66 N 4.48 0.00 0.31 0.64 5.66 -1.26 -4.82 114.28 119.29 2q3s n THR 66 Ca -0.03 0.00 0.19 0.00 -3.05 0.00 0.00 64.05 61.16 2q3s n THR 66 Cb 0.42 0.00 0.90 0.00 -1.55 0.00 0.00 70.33 70.10 2q3s n THR 66 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2q3s h LYS 67 N 0.16 0.00 -0.60 1.09 6.56 -2.06 -1.55 116.57 120.17 2q3s h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2q3s h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2q3s h LYS 67 CO 0.00 0.00 0.00 0.25 -2.06 0.00 0.00 179.45 177.64 2q3s n THR 68 N -3.02 1.20 0.78 -0.16 -2.24 -1.26 -4.35 114.28 105.22 2q3s n THR 68 Ca -0.01 -0.82 0.08 0.00 -2.27 0.00 0.00 64.05 61.03 2q3s n THR 68 Cb 0.20 0.09 0.42 0.00 -2.10 0.00 0.00 70.33 68.94 2q3s n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2q3s n SER 69 N 0.82 0.00 -1.24 3.42 3.41 -0.58 -3.11 113.62 116.35 2q3s n SER 69 Ca 0.19 0.11 0.09 0.00 -0.26 0.00 0.00 58.87 58.99 2q3s n SER 69 Cb 0.63 -0.32 0.28 0.00 -0.26 0.00 0.00 64.21 64.55 2q3s n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q3s n GLY 70 N 0.18 2.03 3.69 5.00 0.00 -1.26 -4.91 105.19 109.91 2q3s n GLY 70 Ca 0.08 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 2q3s n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2q3s s TRP 71 N -1.50 3.51 -0.23 1.61 0.52 -1.18 -0.30 118.94 121.37 2q3s s TRP 71 Ca 0.41 1.37 0.02 0.00 0.02 0.00 0.00 56.10 57.91 2q3s s TRP 71 Cb 0.24 -3.00 0.04 0.00 -1.15 0.00 0.00 33.47 29.60 2q3s s TRP 71 CO 0.24 -0.12 -0.14 0.45 0.02 0.00 0.00 176.95 177.39 2q3s s SER 72 N 1.04 3.91 -0.50 2.95 0.15 0.28 -4.92 113.70 116.61 2q3s s SER 72 Ca 0.41 -1.05 -0.26 0.00 0.70 0.00 0.00 55.95 55.75 2q3s s SER 72 Cb -0.18 -1.53 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 2q3s s SER 72 CO 0.17 -0.11 2.23 -0.22 1.20 0.00 0.00 173.24 176.51 2q3s s LEU 73 N 1.20 3.38 -0.08 3.45 2.96 -1.26 0.06 118.68 128.39 2q3s s LEU 73 Ca -0.03 0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 2q3s s LEU 73 Cb -0.17 -2.63 -0.26 0.00 0.50 0.00 0.00 46.19 43.64 2q3s s LEU 73 CO -0.08 -2.64 0.54 -1.28 -1.32 0.00 0.00 176.35 171.57 2q3s h SER 74 N 17.79 0.30 -5.13 3.68 0.87 -1.62 -3.42 113.55 126.01 2q3s h SER 74 Ca -0.26 -0.61 -0.07 0.00 -1.23 0.00 0.00 61.79 59.61 2q3s h SER 74 Cb 1.23 -0.10 -0.13 0.00 -0.44 0.00 0.00 62.40 62.96 2q3s h SER 74 CO 1.16 1.54 -0.25 -0.44 -0.53 0.00 0.00 176.83 178.31 2q3s s SER 75 N -6.76 -0.02 -0.02 6.23 0.01 -1.17 -0.28 113.70 111.69 2q3s s SER 75 Ca -0.15 -0.53 -0.02 0.00 1.31 0.00 0.00 55.95 56.56 2q3s s SER 75 Cb 0.07 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2q3s s SER 75 CO 0.80 -0.79 0.06 0.68 0.41 0.00 0.00 173.24 174.40 2q3s s VAL 76 N -3.84 0.01 -0.14 3.43 -7.23 0.19 -0.27 120.40 112.56 2q3s s VAL 76 Ca 0.05 -0.07 -0.02 0.00 -1.81 0.00 0.00 61.98 60.13 2q3s s VAL 76 Cb 0.04 -0.11 -0.02 0.00 0.56 0.00 0.00 36.38 36.84 2q3s s VAL 76 CO -0.11 -0.04 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.80 2q3s s LYS 77 N -0.10 3.47 -0.07 4.82 2.20 0.04 -0.72 119.74 129.38 2q3s s LYS 77 Ca -0.01 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.03 2q3s s LYS 77 Cb -0.01 -2.74 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 2q3s s LYS 77 CO 0.00 0.25 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.53 2q3s s LEU 78 N 0.29 1.95 -0.02 5.43 1.43 0.73 -2.35 118.68 126.13 2q3s s LEU 78 Ca -0.07 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2q3s s LEU 78 Cb -0.15 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.90 2q3s s LEU 78 CO 0.04 0.14 -0.04 -0.55 0.23 0.00 0.00 176.35 176.17 2q3s s SER 79 N 0.29 0.66 0.23 2.29 0.15 -0.58 0.71 113.70 117.44 2q3s s SER 79 Ca -0.13 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2q3s s SER 79 Cb -0.16 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2q3s s SER 79 CO 0.06 0.01 0.02 0.35 1.20 0.00 0.00 173.24 174.87 2q3s n THR 80 N 3.40 0.00 -0.07 6.45 -2.24 0.19 -2.07 114.28 119.94 2q3s n THR 80 Ca -0.18 -1.07 -0.04 0.00 -2.27 0.00 0.00 64.05 60.48 2q3s n THR 80 Cb 0.55 0.17 0.18 0.00 -2.10 0.00 0.00 70.33 69.12 2q3s n THR 80 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2q3s h ARG 81 N 0.00 0.70 0.14 -0.78 2.43 -1.91 -3.29 114.38 111.67 2q3s h ARG 81 Ca -0.19 -0.21 -0.33 0.00 -0.81 0.00 0.00 59.98 58.44 2q3s h ARG 81 Cb 0.57 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2q3s h ARG 81 CO 0.31 0.77 -1.70 -0.91 -1.51 0.00 0.00 179.97 176.92 2q3s h ASN 82 N 0.64 0.47 -4.15 -3.80 2.35 -1.92 -3.46 115.58 105.71 2q3s h ASN 82 Ca 0.12 -0.74 -0.48 0.00 -0.55 0.00 0.00 56.30 54.65 2q3s h ASN 82 Cb 0.51 -0.15 -0.20 0.00 0.05 0.00 0.00 38.32 38.53 2q3s h ASN 82 CO 0.03 1.63 -0.79 -0.76 -1.65 0.00 0.00 177.43 175.88 2q3s s LEU 83 N -7.08 2.34 -0.15 1.61 1.43 -1.24 -1.64 118.68 113.95 2q3s s LEU 83 Ca -0.13 -0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 2q3s s LEU 83 Cb 0.06 -0.69 0.04 0.00 0.03 0.00 0.00 46.19 45.63 2q3s s LEU 83 CO 0.84 -0.04 -0.03 0.00 0.23 0.00 0.00 176.35 177.35 2q3s s LEU 85 N 1.74 3.50 -0.22 0.00 2.96 0.22 -2.98 118.68 123.89 2q3s s LEU 85 Ca 0.02 -0.06 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 2q3s s LEU 85 Cb -0.15 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2q3s s LEU 85 CO -0.07 0.14 0.04 -0.36 -1.32 0.00 0.00 176.35 174.78 2q3s s PHE 86 N 0.54 3.08 -0.18 5.38 0.08 -0.57 -0.20 117.98 126.11 2q3s s PHE 86 Ca 0.00 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 2q3s s PHE 86 Cb -0.14 -2.16 -0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2q3s s PHE 86 CO 0.02 -0.27 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.25 2q3s s LEU 87 N 1.24 2.61 -0.40 -0.37 1.43 0.10 -1.42 118.68 121.88 2q3s s LEU 87 Ca 0.04 -0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2q3s s LEU 87 Cb -0.15 -1.62 0.10 0.00 0.03 0.00 0.00 46.19 44.55 2q3s s LEU 87 CO 0.02 0.04 0.19 -0.13 0.23 0.00 0.00 176.35 176.71 2q3s s ARG 88 N 1.10 2.16 0.52 1.70 0.52 -0.88 0.57 118.95 124.64 2q3s s ARG 88 Ca 0.00 -1.70 -0.22 0.00 -0.52 0.00 0.00 55.73 53.29 2q3s s ARG 88 Cb -0.14 -3.58 -0.05 0.00 0.52 0.00 0.00 34.95 31.69 2q3s s ARG 88 CO -0.03 -1.01 1.31 -0.51 0.02 0.00 0.00 175.30 175.08 2q3s s LEU 89 N 1.20 3.89 0.59 2.53 1.43 0.62 -2.46 118.68 126.48 2q3s s LEU 89 Ca 0.06 2.65 -0.04 0.00 -1.03 0.00 0.00 54.13 55.76 2q3s s LEU 89 Cb -0.23 -4.27 0.02 0.00 0.03 0.00 0.00 46.19 41.75 2q3s s LEU 89 CO -0.03 -1.40 0.87 -2.16 0.23 0.00 0.00 176.35 173.86 2q3s s PRO 90 N -2.85 2.74 0.03 1.29 0.04 -1.22 -4.84 135.00 130.19 2q3s s PRO 90 Ca 0.69 -0.22 -0.26 0.00 0.04 0.00 0.00 61.00 61.25 2q3s s PRO 90 Cb -0.37 -2.32 -0.17 0.00 0.04 0.00 0.00 34.50 31.68 2q3s s PRO 90 CO 0.44 -0.75 1.39 -0.22 0.04 0.00 0.00 177.00 177.90 2q3s h LYS 91 N -0.15 -0.39 -5.70 4.56 1.63 -1.96 -3.37 116.57 111.19 2q3s h LYS 91 Ca -0.45 0.03 -0.60 0.00 -0.85 0.00 0.00 60.65 58.77 2q3s h LYS 91 Cb 1.27 0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 32.89 2q3s h LYS 91 CO 0.59 -0.11 0.36 -1.25 -3.45 0.00 0.00 179.45 175.59 2q3s s PRO 92 N -5.11 4.07 -0.51 1.90 0.04 -1.26 -4.97 135.00 129.15 2q3s s PRO 92 Ca -0.15 0.69 -0.28 0.00 0.04 0.00 0.00 61.00 61.30 2q3s s PRO 92 Cb 0.03 -3.68 0.01 0.00 0.04 0.00 0.00 34.50 30.90 2q3s s PRO 92 CO 0.59 -0.56 1.48 -0.06 0.04 0.00 0.00 177.00 178.49 2q3s s PHE 93 N 2.80 2.22 0.00 0.56 0.40 -1.26 -4.87 117.98 117.83 2q3s s PHE 93 Ca 0.31 0.56 0.00 0.00 -0.60 0.00 0.00 56.93 57.20 2q3s s PHE 93 Cb -0.15 -4.33 0.00 0.00 0.51 0.00 0.00 43.02 39.05 2q3s s PHE 93 CO 0.10 -2.08 0.00 0.72 0.70 0.00 0.00 175.22 174.66 2q3s n HIS 94 N 9.71 -1.60 0.23 0.36 8.25 -1.26 -4.98 115.22 125.93 2q3s n HIS 94 Ca 0.15 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.73 2q3s n HIS 94 Cb 0.49 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.93 2q3s n HIS 94 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2q3s h ASP 95 N 0.00 0.00 0.07 0.41 5.19 -1.95 -2.99 116.42 117.15 2q3s h ASP 95 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2q3s h ASP 95 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2q3s h ASP 95 CO 0.00 0.08 0.00 -0.46 -3.12 0.00 0.00 179.24 175.74 2q3s n ASN 96 N -3.14 0.00 -0.21 6.45 6.94 -1.26 -1.11 115.26 122.93 2q3s n ASN 96 Ca 0.02 -0.35 0.12 0.00 -0.02 0.00 0.00 54.58 54.35 2q3s n ASN 96 Cb 0.48 -0.07 0.13 0.00 -2.36 0.00 0.00 39.78 37.96 2q3s n ASN 96 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2q3s n LEU 97 N -1.07 1.18 0.28 -4.53 4.77 -1.13 -3.93 117.00 112.56 2q3s n LEU 97 Ca 0.11 -0.40 0.15 0.00 -0.03 0.00 0.00 56.01 55.84 2q3s n LEU 97 Cb 0.07 -0.09 0.81 0.00 -2.33 0.00 0.00 43.42 41.88 2q3s n LEU 97 CO 0.09 0.24 1.02 0.11 -1.33 0.00 0.00 177.39 177.52 2q3s h LYS 98 N 1.01 0.00 -0.28 3.23 1.57 -1.31 -0.80 116.57 119.99 2q3s h LYS 98 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2q3s h LYS 98 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2q3s h LYS 98 CO 0.00 0.08 0.05 -0.44 -0.57 0.00 0.00 179.45 178.57 2q3s h ASP 99 N 0.00 0.44 -0.11 0.86 3.32 -1.76 0.24 116.42 119.42 2q3s h ASP 99 Ca -0.00 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.81 2q3s h ASP 99 Cb 0.29 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2q3s h ASP 99 CO 0.01 0.59 -0.01 0.25 -1.72 0.00 0.00 179.24 178.36 2q3s h LEU 100 N 0.28 -0.07 -0.51 1.55 5.85 -1.41 -0.70 115.31 120.30 2q3s h LEU 100 Ca 0.09 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2q3s h LEU 100 Cb 0.33 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2q3s h LEU 100 CO 0.00 -0.02 0.21 1.88 -0.34 0.00 0.00 178.44 180.18 2q3s h TYR 101 N 0.02 0.38 0.00 1.25 -1.99 -1.19 0.88 116.97 116.32 2q3s h TYR 101 Ca 0.05 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 2q3s h TYR 101 Cb 0.07 -0.09 -0.00 0.00 2.00 0.00 0.00 36.73 38.70 2q3s h TYR 101 CO -0.14 0.15 -0.07 0.00 -0.00 0.00 0.00 178.16 178.10 2q3s h ARG 102 N 0.41 0.00 0.10 4.88 3.08 0.07 -1.24 114.38 121.69 2q3s h ARG 102 Ca 0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 2q3s h ARG 102 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2q3s h ARG 102 CO -0.22 0.07 -0.05 0.35 -1.07 0.00 0.00 179.97 179.05 2q3s h PHE 103 N 0.00 -0.13 0.00 3.04 3.57 0.63 -0.04 116.94 124.01 2q3s h PHE 103 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2q3s h PHE 103 Cb 0.12 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.91 2q3s h PHE 103 CO 0.00 0.34 -0.01 0.74 -2.23 0.00 0.00 178.31 177.15 2q3s h PHE 104 N -0.69 0.00 0.00 0.41 -1.00 -0.99 -2.14 116.94 112.53 2q3s h PHE 104 Ca -0.01 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.65 2q3s h PHE 104 Cb 0.53 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 2q3s h PHE 104 CO 0.09 0.01 -1.32 0.00 -1.61 0.00 0.00 178.31 175.48 2q3s n ALA 105 N -2.20 2.11 -0.57 2.45 0.00 -0.49 -3.35 120.51 118.47 2q3s n ALA 105 Ca -0.03 -0.46 -0.18 0.00 0.00 0.00 0.00 53.44 52.77 2q3s n ALA 105 Cb 0.11 -0.99 0.13 0.00 0.00 0.00 0.00 19.45 18.70 2q3s n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2q3s n SER 106 N -2.81 -2.90 0.00 0.00 2.88 -0.04 -4.43 113.62 106.31 2q3s n SER 106 Ca -0.07 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 2q3s n SER 106 Cb 0.75 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2q3s n SER 106 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2q3s n LYS 107 N -1.37 0.30 0.28 -1.46 4.81 -1.26 -4.51 118.16 114.95 2q3s n LYS 107 Ca 0.05 -0.24 0.11 0.00 -0.87 0.00 0.00 58.31 57.36 2q3s n LYS 107 Cb 0.36 -0.70 0.76 0.00 0.02 0.00 0.00 35.03 35.47 2q3s n LYS 107 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 2q3s h PHE 108 N 0.00 0.00 -4.69 5.64 0.04 -1.95 -3.43 116.94 112.55 2q3s h PHE 108 Ca 0.00 0.00 -0.39 0.00 2.80 0.00 0.00 57.97 60.38 2q3s h PHE 108 Cb 0.17 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.18 2q3s h PHE 108 CO 0.00 0.01 -0.54 0.14 -0.60 0.00 0.00 178.31 177.31 2q3s s VAL 109 N -4.85 0.03 0.48 -0.55 -7.23 -1.26 -4.87 120.40 102.15 2q3s s VAL 109 Ca -0.05 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 2q3s s VAL 109 Cb 0.16 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 2q3s s VAL 109 CO 0.61 0.00 0.18 -0.89 -0.31 0.00 0.00 175.10 174.70 2q3s s THR 110 N -3.71 1.79 -0.19 5.32 2.01 -0.69 -4.89 115.64 115.29 2q3s s THR 110 Ca 0.40 -1.74 -0.04 0.00 0.31 0.00 0.00 61.69 60.61 2q3s s THR 110 Cb 0.04 -2.53 0.06 0.00 0.01 0.00 0.00 72.50 70.08 2q3s s THR 110 CO 0.21 0.00 0.07 -0.36 -0.69 0.00 0.00 174.62 173.85 2q3s s PHE 111 N -2.73 0.56 -0.21 4.92 0.08 -0.86 -1.85 117.98 117.89 2q3s s PHE 111 Ca 0.29 -0.58 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 2q3s s PHE 111 Cb 0.02 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 2q3s s PHE 111 CO 0.16 -0.57 0.03 0.08 -0.10 0.00 0.00 175.22 174.82 2q3s s VAL 112 N 2.01 4.18 0.23 -0.44 1.01 0.36 0.01 120.40 127.77 2q3s s VAL 112 Ca 0.01 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2q3s s VAL 112 Cb -0.16 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2q3s s VAL 112 CO -0.10 0.40 -0.00 -0.83 0.00 0.00 0.00 175.10 174.57 2q3s s GLY 113 N 1.11 1.57 -0.27 4.51 0.00 -0.86 -0.55 107.32 112.83 2q3s s GLY 113 Ca 0.03 -1.77 -0.09 0.00 0.00 0.00 0.00 44.72 42.89 2q3s s GLY 113 CO 0.02 -1.67 0.13 0.14 0.00 0.00 0.00 173.10 171.72 2q3s s VAL 114 N -3.41 4.69 -1.07 1.40 1.01 -1.26 -2.78 120.40 118.98 2q3s s VAL 114 Ca 0.29 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 2q3s s VAL 114 Cb 0.06 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 2q3s s VAL 114 CO 0.09 0.25 0.91 0.00 0.00 0.00 0.00 175.10 176.35 2q3s n GLN 115 N 4.98 -2.37 -0.32 2.72 1.13 -1.26 -4.86 117.38 117.39 2q3s n GLN 115 Ca -0.15 0.82 0.08 0.00 -1.94 0.00 0.00 57.00 55.81 2q3s n GLN 115 Cb 0.51 -5.65 0.23 0.00 0.11 0.00 0.00 30.24 25.45 2q3s n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2q3s n ILE 116 N -3.39 1.34 -0.31 5.09 -5.35 -1.26 -4.66 119.36 110.82 2q3s n ILE 116 Ca -0.09 -1.17 -0.00 0.00 -0.27 0.00 0.00 62.75 61.22 2q3s n ILE 116 Cb 0.62 0.32 0.17 0.00 -1.74 0.00 0.00 39.64 39.02 2q3s n ILE 116 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2q3s h GLU 117 N 2.69 1.17 0.00 6.28 4.81 -1.97 -2.83 114.58 124.72 2q3s h GLU 117 Ca 0.00 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 2q3s h GLU 117 Cb 1.00 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 2q3s h GLU 117 CO 0.07 0.77 -1.12 0.93 -0.73 0.00 0.00 179.01 178.94 2q3s h GLU 118 N 1.20 0.00 0.25 1.92 4.39 -1.99 -3.20 114.58 117.15 2q3s h GLU 118 Ca 0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 2q3s h GLU 118 Cb -0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2q3s h GLU 118 CO -0.08 0.65 -0.13 -0.44 -1.16 0.00 0.00 179.01 177.84 2q3s h ASP 119 N 0.00 -0.33 -0.42 1.42 3.32 -1.83 0.83 116.42 119.41 2q3s h ASP 119 Ca -0.10 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.05 2q3s h ASP 119 Cb 1.71 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 41.26 2q3s h ASP 119 CO 0.09 -0.22 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.17 2q3s h LEU 120 N -0.35 -0.54 -0.10 1.55 3.38 -1.68 3.75 115.31 121.33 2q3s h LEU 120 Ca -0.03 0.14 0.04 0.00 0.09 0.00 0.00 57.88 58.12 2q3s h LEU 120 Cb 0.27 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2q3s h LEU 120 CO 0.05 -0.19 -0.24 0.44 0.09 0.00 0.00 178.44 178.59 2q3s h ASP 121 N -0.06 -0.73 -0.66 -0.43 5.19 -1.58 0.85 116.42 119.00 2q3s h ASP 121 Ca 0.20 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 2q3s h ASP 121 Cb 0.38 0.32 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 2q3s h ASP 121 CO -0.46 -0.29 0.36 -0.07 -3.12 0.00 0.00 179.24 175.65 2q3s h LEU 122 N -0.32 0.83 -0.67 1.55 3.38 0.63 -1.24 115.31 119.47 2q3s h LEU 122 Ca 0.09 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2q3s h LEU 122 Cb 0.45 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 2q3s h LEU 122 CO -0.28 0.69 0.38 -0.07 0.09 0.00 0.00 178.44 179.25 2q3s h LEU 123 N 0.90 0.58 -0.95 1.67 3.38 0.75 0.15 115.31 121.80 2q3s h LEU 123 Ca 0.23 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 2q3s h LEU 123 Cb 0.05 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2q3s h LEU 123 CO -0.04 0.38 0.42 -0.09 0.09 0.00 0.00 178.44 179.21 2q3s h ARG 124 N 0.71 1.17 0.00 1.13 2.43 0.16 -2.31 114.38 117.67 2q3s h ARG 124 Ca 0.29 -0.15 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 2q3s h ARG 124 Cb 0.15 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2q3s h ARG 124 CO -0.17 0.88 -0.98 0.93 -1.51 0.00 0.00 179.97 179.12 2q3s h GLU 125 N 1.17 0.00 -0.00 0.20 5.08 -0.45 -3.18 114.58 117.39 2q3s h GLU 125 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2q3s h GLU 125 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2q3s h GLU 125 CO -0.04 0.71 -0.47 0.09 -1.00 0.00 0.00 179.01 178.30 2q3s n ASN 126 N -3.23 1.03 0.00 1.42 3.02 0.47 -4.65 115.26 113.32 2q3s n ASN 126 Ca -0.03 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2q3s n ASN 126 Cb 0.88 0.75 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 2q3s n ASN 126 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2q3s n HIS 127 N -0.78 0.00 -2.79 3.10 8.25 -0.91 -5.02 115.22 117.07 2q3s n HIS 127 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 2q3s n HIS 127 Cb 0.25 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.39 2q3s n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2q3s n GLY 128 N 0.00 -0.10 3.21 -1.41 0.00 -1.04 -5.00 105.19 100.84 2q3s n GLY 128 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2q3s n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q3s s LEU 129 N -4.60 3.29 -0.39 0.99 0.20 -0.98 -4.97 118.68 112.22 2q3s s LEU 129 Ca 0.21 -0.89 0.00 0.00 0.69 0.00 0.00 54.13 54.14 2q3s s LEU 129 Cb -0.09 -1.68 0.11 0.00 -0.43 0.00 0.00 46.19 44.09 2q3s s LEU 129 CO 0.26 -0.14 0.15 -0.69 -0.29 0.00 0.00 176.35 175.64 2q3s s VAL 130 N 1.33 2.86 -0.34 1.68 1.01 -1.26 -2.53 120.40 123.14 2q3s s VAL 130 Ca -0.00 -2.26 -0.28 0.00 0.00 0.00 0.00 61.98 59.44 2q3s s VAL 130 Cb -0.17 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2q3s s VAL 130 CO -0.04 -0.67 1.92 -0.63 0.00 0.00 0.00 175.10 175.69 2q3s s ILE 131 N 0.94 3.35 0.17 2.22 1.01 -1.26 -4.65 121.20 122.98 2q3s s ILE 131 Ca 0.10 0.34 -0.15 0.00 0.00 0.00 0.00 60.65 60.94 2q3s s ILE 131 Cb -0.21 -3.51 0.06 0.00 0.01 0.00 0.00 42.46 38.81 2q3s s ILE 131 CO -0.06 -0.36 1.73 0.03 0.00 0.00 0.00 174.94 176.29 2q3s h ARG 132 N 13.87 0.23 -4.29 2.79 3.08 -1.77 -3.37 114.38 124.93 2q3s h ARG 132 Ca -0.34 -0.01 -0.62 0.00 0.07 0.00 0.00 59.98 59.08 2q3s h ARG 132 Cb 1.19 -0.05 -0.39 0.00 0.08 0.00 0.00 29.97 30.80 2q3s h ARG 132 CO 1.04 0.15 -0.77 1.21 -1.07 0.00 0.00 179.97 180.54 2q3s s ASN 133 N -5.32 4.11 0.06 7.04 3.04 -1.26 -5.09 114.94 117.52 2q3s s ASN 133 Ca -0.13 -1.50 -0.02 0.00 0.04 0.00 0.00 52.86 51.25 2q3s s ASN 133 Cb 0.14 -1.23 -0.04 0.00 -1.54 0.00 0.00 41.25 38.58 2q3s s ASN 133 CO 0.72 -0.30 0.01 0.00 -3.04 0.00 0.00 177.10 174.48 2q3s s ALA 134 N 1.32 0.45 -0.02 1.71 0.00 -1.26 -2.03 121.76 121.93 2q3s s ALA 134 Ca 0.01 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2q3s s ALA 134 Cb -0.19 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2q3s s ALA 134 CO -0.10 -0.40 -0.02 -1.50 0.00 0.00 0.00 175.76 173.74 2q3s s ILE 135 N -3.93 0.25 -0.78 0.00 1.10 0.10 -4.90 121.20 113.04 2q3s s ILE 135 Ca 0.09 -0.04 -0.18 0.00 -0.51 0.00 0.00 60.65 60.01 2q3s s ILE 135 Cb 0.08 -0.28 0.13 0.00 0.15 0.00 0.00 42.46 42.53 2q3s s ILE 135 CO -0.09 0.12 0.92 0.21 -2.11 0.00 0.00 174.94 174.00 2q3s s ASN 136 N 0.53 6.48 0.47 4.50 2.47 -1.26 -2.02 114.94 126.11 2q3s s ASN 136 Ca -0.05 -1.88 0.16 0.00 0.42 0.00 0.00 52.86 51.50 2q3s s ASN 136 Cb -0.08 -2.34 1.11 0.00 -1.45 0.00 0.00 41.25 38.48 2q3s s ASN 136 CO -0.01 -1.03 2.04 1.62 -3.72 0.00 0.00 177.10 176.01 2q3s h VAL 137 N 5.67 1.06 -0.99 -5.21 3.04 -1.91 -3.03 116.25 114.89 2q3s h VAL 137 Ca -0.03 -0.44 0.21 0.00 -1.01 0.00 0.00 66.70 65.43 2q3s h VAL 137 Cb 1.05 1.24 -0.10 0.00 -2.01 0.00 0.00 31.29 31.47 2q3s h VAL 137 CO 1.05 0.12 0.62 1.23 -1.01 0.00 0.00 177.57 179.58 2q3s h GLY 138 N 0.40 1.51 0.60 3.17 0.00 -1.80 0.59 103.07 107.54 2q3s h GLY 138 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2q3s h GLY 138 CO 0.02 -0.08 -0.02 1.70 0.00 0.00 0.00 176.54 178.16 2q3s h LYS 139 N 0.62 -0.06 -0.98 4.80 3.64 -1.74 -0.36 116.57 122.49 2q3s h LYS 139 Ca 0.56 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 60.02 2q3s h LYS 139 Cb 1.08 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 2q3s h LYS 139 CO -0.33 0.34 0.63 1.25 -2.27 0.00 0.00 179.45 179.07 2q3s h LEU 140 N -0.46 0.99 -0.54 5.20 5.85 -1.43 0.97 115.31 125.89 2q3s h LEU 140 Ca -0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2q3s h LEU 140 Cb 0.42 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2q3s h LEU 140 CO 0.01 0.62 0.11 0.00 -0.34 0.00 0.00 178.44 178.84 2q3s h ALA 141 N 1.48 0.72 -0.28 1.25 0.00 -0.72 0.63 119.26 122.34 2q3s h ALA 141 Ca 0.43 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2q3s h ALA 141 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2q3s h ALA 141 CO -0.18 0.44 0.07 0.00 0.00 0.00 0.00 179.25 179.58 2q3s h ALA 142 N 1.00 0.36 0.14 0.00 0.00 -0.17 -0.45 119.26 120.15 2q3s h ALA 142 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2q3s h ALA 142 Cb 0.38 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2q3s h ALA 142 CO 0.01 0.02 -0.07 0.93 0.00 0.00 0.00 179.25 180.13 2q3s h GLU 143 N 0.28 -0.18 -1.00 0.00 5.08 -0.60 0.62 114.58 118.78 2q3s h GLU 143 Ca 0.09 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.67 2q3s h GLU 143 Cb 0.28 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.46 2q3s h GLU 143 CO 0.00 0.22 0.61 0.00 -1.00 0.00 0.00 179.01 178.84 2q3s h ALA 144 N 0.09 1.80 0.00 3.43 0.00 0.26 -1.83 119.26 123.00 2q3s h ALA 144 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2q3s h ALA 144 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2q3s h ALA 144 CO 0.03 -0.20 -1.19 0.54 0.00 0.00 0.00 179.25 178.44 2q3s n ARG 145 N -4.77 0.14 -2.96 0.00 5.12 -0.18 -4.98 116.66 109.02 2q3s n ARG 145 Ca 0.24 -0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 56.01 2q3s n ARG 145 Cb 0.66 -1.51 0.04 0.00 -1.16 0.00 0.00 32.46 30.49 2q3s n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2q3s n GLY 146 N 1.45 0.19 2.48 -0.13 0.00 0.19 -4.98 105.19 104.39 2q3s n GLY 146 Ca 0.02 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 2q3s n GLY 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q3s n THR 147 N -3.77 1.07 0.00 2.61 -1.04 0.19 -5.00 114.28 108.34 2q3s n THR 147 Ca -0.01 -4.78 0.00 0.00 -2.04 0.00 0.00 64.05 57.22 2q3s n THR 147 Cb 0.54 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 2q3s n THR 147 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2q3s n LEU 148 N 0.05 0.00 0.20 -4.42 4.77 -1.26 0.02 117.00 116.36 2q3s n LEU 148 Ca 0.26 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.42 2q3s n LEU 148 Cb 0.59 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.50 2q3s n LEU 148 CO 0.26 0.00 1.15 1.62 -1.33 0.00 0.00 177.39 179.09 2q3s h VAL 149 N 0.00 0.45 0.00 4.08 3.04 -1.94 -0.41 116.25 121.47 2q3s h VAL 149 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2q3s h VAL 149 Cb 0.00 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 2q3s h VAL 149 CO 0.00 0.00 0.03 -0.07 -1.01 0.00 0.00 177.57 176.52 2q3s h LEU 150 N 0.00 0.00 -0.03 3.16 3.38 -0.68 0.30 115.31 121.44 2q3s h LEU 150 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2q3s h LEU 150 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2q3s h LEU 150 CO -0.00 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.74 2q3s n GLU 151 N -2.60 0.04 -0.23 1.13 2.13 -0.16 -3.88 120.64 117.07 2q3s n GLU 151 Ca -0.02 0.10 0.09 0.00 0.66 0.00 0.00 57.16 57.98 2q3s n GLU 151 Cb 0.08 -1.56 0.15 0.00 0.27 0.00 0.00 31.44 30.39 2q3s n GLU 151 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2q3s n PHE 152 N -1.63 0.00 -4.13 4.31 3.72 0.11 -4.72 117.46 115.11 2q3s n PHE 152 Ca 0.06 -1.07 -0.32 0.00 -0.05 0.00 0.00 57.45 56.07 2q3s n PHE 152 Cb 0.31 -0.17 -0.07 0.00 -0.94 0.00 0.00 39.48 38.61 2q3s n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2q3s s LEU 153 N -2.82 3.76 1.07 4.37 1.43 -1.24 -5.12 118.68 120.13 2q3s s LEU 153 Ca 0.32 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.31 2q3s s LEU 153 Cb 0.29 -2.26 0.23 0.00 0.03 0.00 0.00 46.19 44.48 2q3s s LEU 153 CO 0.00 0.25 1.19 -0.83 0.23 0.00 0.00 176.35 177.19 2q3s s GLY 154 N -1.88 1.66 0.31 -3.19 0.00 -1.26 -4.74 107.32 98.21 2q3s s GLY 154 Ca 0.24 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 44.06 2q3s s GLY 154 CO 0.15 -0.18 1.69 -0.84 0.00 0.00 0.00 173.10 173.92 2q3s h THR 155 N -2.06 0.44 0.07 0.90 2.02 -2.00 -2.62 112.91 109.66 2q3s h THR 155 Ca -0.46 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 2q3s h THR 155 Cb 1.28 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2q3s h THR 155 CO 0.40 0.08 -0.03 -0.09 0.37 0.00 0.00 175.52 176.24 2q3s h ARG 156 N 0.41 -0.09 -0.53 6.66 1.12 -1.99 -2.72 114.38 117.24 2q3s h ARG 156 Ca 0.62 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.59 2q3s h ARG 156 Cb 1.23 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.18 2q3s h ARG 156 CO -0.54 0.33 0.36 1.49 -3.11 0.00 0.00 179.97 178.49 2q3s h GLU 157 N -0.97 0.28 0.01 0.20 4.57 -1.93 1.12 114.58 117.85 2q3s h GLU 157 Ca -0.01 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2q3s h GLU 157 Cb 0.46 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.99 2q3s h GLU 157 CO 0.02 0.18 -0.00 1.25 -1.18 0.00 0.00 179.01 179.27 2q3s h LEU 158 N 0.28 -0.01 -0.56 1.64 5.85 -1.56 1.04 115.31 121.99 2q3s h LEU 158 Ca 0.24 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2q3s h LEU 158 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 2q3s h LEU 158 CO -0.05 0.16 0.29 0.00 -0.34 0.00 0.00 178.44 178.50 2q3s h ALA 159 N 0.81 0.72 0.68 1.25 0.00 -0.59 -2.08 119.26 120.04 2q3s h ALA 159 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2q3s h ALA 159 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2q3s h ALA 159 CO 0.00 0.26 -0.46 1.25 0.00 0.00 0.00 179.25 180.30 2q3s h HIS 160 N 0.76 -1.25 0.00 0.00 -0.00 0.15 -1.15 115.15 113.66 2q3s h HIS 160 Ca 0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2q3s h HIS 160 Cb 0.08 0.46 0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2q3s h HIS 160 CO -0.01 -0.67 0.00 0.00 -0.00 0.00 0.00 177.93 177.25 2q3s h ARG 161 N -1.08 0.00 0.01 5.26 2.47 0.11 0.32 114.38 121.47 2q3s h ARG 161 Ca -0.09 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.28 2q3s h ARG 161 Cb 0.88 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.15 2q3s h ARG 161 CO 0.06 0.00 -1.94 0.28 0.56 0.00 0.00 179.97 178.93 2q3s n VAL 162 N -3.04 1.54 -0.08 2.04 0.31 -0.79 -4.75 118.33 113.56 2q3s n VAL 162 Ca -0.01 -0.25 -0.15 0.00 -0.01 0.00 0.00 64.34 63.92 2q3s n VAL 162 Cb 0.18 -1.92 -0.14 0.00 -0.91 0.00 0.00 33.84 31.05 2q3s n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2q3s n LEU 163 N -4.24 1.73 -2.74 7.52 4.77 -0.44 -5.02 117.00 118.57 2q3s n LEU 163 Ca -0.43 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.39 2q3s n LEU 163 Cb 0.81 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 2q3s n LEU 163 CO 0.13 0.71 -0.10 0.79 -1.33 0.00 0.00 177.39 177.60 2q3s n TRP 164 N -3.12 -1.59 -2.29 -1.77 7.02 0.11 -5.01 117.44 110.79 2q3s n TRP 164 Ca -0.35 0.32 -0.26 0.00 -1.02 0.00 0.00 57.50 56.20 2q3s n TRP 164 Cb 1.06 -4.28 0.11 0.00 -2.42 0.00 0.00 31.31 25.78 2q3s n TRP 164 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2q3s s SER 165 N -2.47 4.20 -0.01 -0.99 1.04 -1.26 -5.04 113.70 109.16 2q3s s SER 165 Ca 0.19 0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.39 2q3s s SER 165 Cb -0.08 -0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.54 2q3s s SER 165 CO 0.23 -1.99 1.05 -0.62 0.98 0.00 0.00 173.24 172.90 2q3s s ASP 166 N -4.70 7.26 -0.07 7.02 3.68 -1.26 -4.89 116.67 123.71 2q3s s ASP 166 Ca 0.66 1.72 0.15 0.00 2.13 0.00 0.00 52.55 57.21 2q3s s ASP 166 Cb -0.07 -2.57 0.30 0.00 -1.45 0.00 0.00 42.92 39.13 2q3s s ASP 166 CO 0.46 -0.37 1.14 0.18 0.13 0.00 0.00 175.17 176.71 2q3s n LEU 167 N 4.24 1.35 -0.25 -1.34 4.77 -1.26 -4.86 117.00 119.66 2q3s n LEU 167 Ca 0.08 -2.36 -0.06 0.00 -0.03 0.00 0.00 56.01 53.63 2q3s n LEU 167 Cb 0.49 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2q3s n LEU 167 CO 0.53 0.68 1.05 1.23 -1.33 0.00 0.00 177.39 179.55 2q3s h GLY 168 N 0.59 1.06 1.12 -0.72 0.00 -1.99 -0.65 103.07 102.47 2q3s h GLY 168 Ca -0.08 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 2q3s h GLY 168 CO 0.04 0.50 0.10 -1.61 0.00 0.00 0.00 176.54 175.57 2q3s h GLN 169 N 0.95 1.08 0.03 4.80 5.75 -1.99 -1.36 115.11 124.37 2q3s h GLN 169 Ca 0.23 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2q3s h GLN 169 Cb 0.12 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2q3s h GLN 169 CO -0.03 0.99 -0.01 1.25 -2.65 0.00 0.00 178.83 178.38 2q3s h LEU 170 N 1.01 -0.03 -0.64 -2.39 5.85 -1.87 -2.81 115.31 114.43 2q3s h LEU 170 Ca 0.20 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.54 2q3s h LEU 170 Cb 0.44 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2q3s h LEU 170 CO 0.01 0.39 0.40 0.44 -0.34 0.00 0.00 178.44 179.35 2q3s h ASP 171 N -0.46 0.66 0.50 1.25 3.32 -1.08 -0.58 116.42 120.04 2q3s h ASP 171 Ca -0.00 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2q3s h ASP 171 Cb 0.43 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 2q3s h ASP 171 CO 0.01 0.46 -0.18 -1.28 -1.72 0.00 0.00 179.24 176.53 2q3s h SER 172 N 0.79 0.00 0.05 6.45 0.87 -1.28 -0.35 113.55 120.08 2q3s h SER 172 Ca 0.26 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 2q3s h SER 172 Cb 0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2q3s h SER 172 CO -0.10 0.18 -0.34 0.40 -0.53 0.00 0.00 176.83 176.44 2q3s h ILE 173 N 0.00 1.65 0.00 2.23 2.04 -0.99 -3.35 117.51 119.09 2q3s h ILE 173 Ca -0.00 -2.35 -0.08 0.00 1.00 0.00 0.00 64.86 63.43 2q3s h ILE 173 Cb 0.48 3.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 2q3s h ILE 173 CO 0.02 0.64 -0.40 -0.33 0.00 0.00 0.00 178.15 178.08 2q3s h GLU 174 N -0.69 0.00 -0.59 2.37 5.08 -0.93 -2.86 114.58 116.95 2q3s h GLU 174 Ca -0.06 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2q3s h GLU 174 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 2q3s h GLU 174 CO 0.06 0.40 0.39 0.00 -1.00 0.00 0.00 179.01 178.86 2q3s h ALA 175 N 1.60 1.66 -1.33 3.43 0.00 -1.20 -2.57 119.26 120.87 2q3s h ALA 175 Ca -0.00 -0.03 -0.65 0.00 0.00 0.00 0.00 54.91 54.22 2q3s h ALA 175 Cb 0.76 -0.20 -0.37 0.00 0.00 0.00 0.00 17.79 17.98 2q3s h ALA 175 CO 0.05 0.28 -0.10 0.36 0.00 0.00 0.00 179.25 179.85 2q3s n LYS 176 N -4.46 3.19 -0.14 0.00 2.85 -1.08 -4.87 118.16 113.65 2q3s n LYS 176 Ca 0.07 -4.15 -0.09 0.00 -1.05 0.00 0.00 58.31 53.09 2q3s n LYS 176 Cb 0.11 -2.26 -0.00 0.00 -0.65 0.00 0.00 35.03 32.24 2q3s n LYS 176 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 177.40 179.70 2q3s h TRP 177 N 2.72 0.60 -0.99 5.58 2.91 -1.47 -2.91 115.95 122.39 2q3s h TRP 177 Ca 0.40 -0.03 0.23 0.00 1.13 0.00 0.00 58.89 60.62 2q3s h TRP 177 Cb 0.61 -0.19 -0.09 0.00 -0.51 0.00 0.00 29.16 28.99 2q3s h TRP 177 CO 0.95 0.48 0.63 1.05 -1.03 0.00 0.00 178.44 180.53 2q3s h GLU 178 N 0.54 0.48 -0.04 2.65 9.09 -1.89 -0.04 114.58 125.36 2q3s h GLU 178 Ca 0.14 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.53 2q3s h GLU 178 Cb 0.10 -0.11 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2q3s h GLU 178 CO -0.02 0.32 0.00 1.63 0.05 0.00 0.00 179.01 180.99 2q3s n LYS 179 N -4.63 1.83 -2.51 1.06 5.02 -1.11 -4.92 118.16 112.90 2q3s n LYS 179 Ca 0.23 -1.22 -0.40 0.00 -2.02 0.00 0.00 58.31 54.90 2q3s n LYS 179 Cb 0.74 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 2q3s n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2q3s s ALA 180 N -1.96 3.39 0.69 7.82 0.00 -0.03 -5.04 121.76 126.62 2q3s s ALA 180 Ca 0.35 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2q3s s ALA 180 Cb 0.20 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2q3s s ALA 180 CO 0.32 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2q3s n GLY 181 N 1.48 0.69 0.04 0.00 0.00 -1.26 -4.88 105.19 101.26 2q3s n GLY 181 Ca 0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 46.02 44.32 2q3s n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q3s h PRO 182 N 0.00 -0.09 -0.91 1.61 0.13 -2.00 -3.04 132.00 127.70 2q3s h PRO 182 Ca 0.00 0.01 0.23 0.00 -0.87 0.00 0.00 66.00 65.36 2q3s h PRO 182 Cb 0.00 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.02 2q3s h PRO 182 CO 0.00 -0.06 0.42 1.49 -0.23 0.00 0.00 178.00 179.62 2q3s h GLU 183 N -0.17 0.40 -0.64 0.86 4.57 -1.99 0.14 114.58 117.74 2q3s h GLU 183 Ca -0.01 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2q3s h GLU 183 Cb 0.07 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 2q3s h GLU 183 CO 0.02 0.27 0.37 0.93 -1.18 0.00 0.00 179.01 179.41 2q3s h GLU 184 N 0.41 0.88 -0.41 1.92 5.08 -1.96 -1.87 114.58 118.63 2q3s h GLU 184 Ca 0.57 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.86 2q3s h GLU 184 Cb 1.10 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 2q3s h GLU 184 CO -0.53 0.65 0.25 1.96 -1.00 0.00 0.00 179.01 180.34 2q3s h GLN 185 N 0.87 0.49 -0.43 2.33 4.20 -0.66 -2.07 115.11 119.84 2q3s h GLN 185 Ca 0.23 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.00 2q3s h GLN 185 Cb 0.01 -0.11 -0.09 0.00 0.30 0.00 0.00 27.48 27.59 2q3s h GLN 185 CO -0.04 0.32 -0.23 1.25 -0.67 0.00 0.00 178.83 179.46 2q3s h LEU 186 N 0.50 -0.79 -0.76 1.46 5.85 -0.72 -1.57 115.31 119.28 2q3s h LEU 186 Ca 0.16 0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.11 2q3s h LEU 186 Cb -0.00 0.41 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 2q3s h LEU 186 CO -0.07 -0.26 0.45 -0.08 -0.34 0.00 0.00 178.44 178.14 2q3s h GLU 187 N -0.15 0.80 0.85 1.25 4.81 -0.70 0.70 114.58 122.14 2q3s h GLU 187 Ca 0.20 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 2q3s h GLU 187 Cb 0.47 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2q3s h GLU 187 CO -0.52 0.53 -0.47 0.00 -0.73 0.00 0.00 179.01 177.82 2q3s h ALA 188 N 1.37 -1.30 -0.26 2.92 0.00 -0.69 2.84 119.26 124.14 2q3s h ALA 188 Ca 0.34 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2q3s h ALA 188 Cb 0.18 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2q3s h ALA 188 CO -0.18 -1.24 0.08 0.00 0.00 0.00 0.00 179.25 177.92 2q3s h ALA 189 N -1.30 0.29 -0.49 0.00 0.00 -1.44 0.37 119.26 116.70 2q3s h ALA 189 Ca -0.12 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.92 2q3s h ALA 189 Cb 0.96 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 2q3s h ALA 189 CO 0.15 -0.33 0.04 0.00 0.00 0.00 0.00 179.25 179.11 2q3s h ALA 190 N 1.17 0.50 -0.59 0.00 0.00 0.78 1.73 119.26 122.85 2q3s h ALA 190 Ca 0.12 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2q3s h ALA 190 Cb 0.09 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2q3s h ALA 190 CO -0.13 -0.36 0.38 0.82 0.00 0.00 0.00 179.25 179.96 2q3s h ILE 191 N 0.16 1.12 0.00 0.00 2.04 0.58 -1.67 117.51 119.74 2q3s h ILE 191 Ca 0.25 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 2q3s h ILE 191 Cb 0.36 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2q3s h ILE 191 CO -0.38 0.14 -0.42 -0.33 0.00 0.00 0.00 178.15 177.16 2q3s h GLU 192 N 0.76 0.00 0.51 2.37 5.08 0.28 -0.90 114.58 122.67 2q3s h GLU 192 Ca 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2q3s h GLU 192 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2q3s h GLU 192 CO -0.07 0.42 -0.24 0.78 -1.00 0.00 0.00 179.01 178.90 2q3s h GLY 193 N 1.45 -0.71 0.18 -3.84 0.00 0.33 -1.09 103.07 99.39 2q3s h GLY 193 Ca -0.00 0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.74 2q3s h GLY 193 CO 0.06 -0.26 0.44 -0.25 0.00 0.00 0.00 176.54 176.52 2q3s h TRP 194 N -0.81 0.76 0.06 5.60 7.01 -1.41 0.25 115.95 127.42 2q3s h TRP 194 Ca -0.07 0.03 0.02 0.00 2.11 0.00 0.00 58.89 60.98 2q3s h TRP 194 Cb 0.52 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 2q3s h TRP 194 CO 0.07 0.16 -0.18 -0.07 -2.79 0.00 0.00 178.44 175.63 2q3s h LEU 195 N 0.60 -0.50 -1.47 0.65 3.38 -1.07 -2.21 115.31 114.69 2q3s h LEU 195 Ca 0.48 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.45 2q3s h LEU 195 Cb 0.70 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2q3s h LEU 195 CO -0.38 -0.25 -0.27 0.40 0.09 0.00 0.00 178.44 178.03 2q3s h ILE 196 N -0.32 1.08 -0.78 1.22 1.08 0.04 -1.01 117.51 118.83 2q3s h ILE 196 Ca 0.04 -0.96 0.07 0.00 -0.39 0.00 0.00 64.86 63.61 2q3s h ILE 196 Cb 0.36 1.53 -0.06 0.00 -3.07 0.00 0.00 36.82 35.58 2q3s h ILE 196 CO -0.13 0.26 0.46 0.58 -0.69 0.00 0.00 178.15 178.64 2q3s h VAL 197 N 0.00 0.99 -0.51 1.67 2.07 -0.45 -1.88 116.25 118.13 2q3s h VAL 197 Ca -0.00 -0.28 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 2q3s h VAL 197 Cb 0.51 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2q3s h VAL 197 CO 0.04 0.15 -0.16 0.78 0.02 0.00 0.00 177.57 178.39 2q3s h ASN 198 N 0.83 1.02 0.02 0.57 2.35 -0.62 -2.62 115.58 117.13 2q3s h ASN 198 Ca 0.35 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2q3s h ASN 198 Cb 0.21 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 2q3s h ASN 198 CO -0.19 1.16 -0.44 0.58 -1.65 0.00 0.00 177.43 176.89 2q3s h VAL 199 N 0.88 0.00 -0.77 2.81 2.07 -0.83 0.31 116.25 120.72 2q3s h VAL 199 Ca 0.13 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2q3s h VAL 199 Cb 0.73 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2q3s h VAL 199 CO 0.06 0.00 0.51 -0.25 0.02 0.00 0.00 177.57 177.90 2q3s h TRP 200 N -0.56 0.77 -0.51 1.57 2.91 -1.46 -0.32 115.95 118.35 2q3s h TRP 200 Ca 0.01 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.94 2q3s h TRP 200 Cb 0.59 -0.25 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 2q3s h TRP 200 CO -0.48 0.37 -0.09 -0.44 -1.03 0.00 0.00 178.44 176.78 2q3s h ASP 201 N 0.73 0.92 1.53 2.65 5.19 -0.93 0.27 116.42 126.78 2q3s h ASP 201 Ca 0.35 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2q3s h ASP 201 Cb 0.40 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.66 2q3s h ASP 201 CO -0.13 1.03 0.00 1.56 -3.12 0.00 0.00 179.24 178.58 2q3s h GLN 202 N 0.84 0.00 0.00 3.56 4.20 0.12 -3.34 115.11 120.48 2q3s h GLN 202 Ca 0.14 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.48 2q3s h GLN 202 Cb 0.62 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 2q3s h GLN 202 CO 0.04 0.00 -2.38 1.28 -0.67 0.00 0.00 178.83 177.10 2q3s n LEU 203 N -2.95 1.74 0.08 1.46 4.77 -0.33 -4.27 117.00 117.50 2q3s n LEU 203 Ca 0.03 -0.08 0.21 0.00 -0.03 0.00 0.00 56.01 56.14 2q3s n LEU 203 Cb 0.42 -0.31 0.73 0.00 -2.33 0.00 0.00 43.42 41.93 2q3s n LEU 203 CO 0.30 0.74 1.18 -1.28 -1.33 0.00 0.00 177.39 177.00 2q3s h SER 204 N 0.00 0.00 -1.57 -1.43 0.87 -0.59 -3.14 113.55 107.69 2q3s h SER 204 Ca -0.54 0.00 -0.43 0.00 -1.23 0.00 0.00 61.79 59.59 2q3s h SER 204 Cb 2.00 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 63.62 2q3s h SER 204 CO -0.04 0.00 -1.04 -0.90 -0.53 0.00 0.00 176.83 174.32 2q3s n ASP 205 N -3.65 0.15 -0.33 6.23 5.68 -1.26 -5.11 116.55 118.25 2q3s n ASP 205 Ca 0.08 -3.16 0.04 0.00 -0.50 0.00 0.00 54.79 51.25 2q3s n ASP 205 Cb 0.67 -0.07 0.03 0.00 -1.14 0.00 0.00 41.12 40.61 2q3s n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03