#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3s n ALA 2 N 0.00 -1.93 -3.44 7.33 0.00 -1.26 -4.97 120.51 116.24 2q3s n ALA 2 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 2q3s n ALA 2 Cb 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 2q3s n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2q3s s SER 3 N -0.87 -0.58 -1.00 0.00 1.04 -1.26 -5.08 113.70 105.96 2q3s s SER 3 Ca 0.62 0.09 -0.20 0.00 0.48 0.00 0.00 55.95 56.94 2q3s s SER 3 Cb -0.80 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.00 2q3s s SER 3 CO 0.58 -0.91 1.31 -0.36 0.98 0.00 0.00 173.24 174.84 2q3s s PHE 4 N -3.39 2.85 -0.40 5.02 0.40 -1.26 -4.82 117.98 116.38 2q3s s PHE 4 Ca -0.00 -1.18 0.06 0.00 -0.60 0.00 0.00 56.93 55.20 2q3s s PHE 4 Cb -0.01 -4.49 0.58 0.00 0.51 0.00 0.00 43.02 39.61 2q3s s PHE 4 CO -0.10 -1.70 1.72 -0.40 0.70 0.00 0.00 175.22 175.44 2q3s n ASP 5 N 7.65 3.51 -1.93 1.36 5.75 -1.25 -4.43 116.55 127.21 2q3s n ASP 5 Ca 0.30 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.37 2q3s n ASP 5 Cb 0.50 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2q3s n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2q3s n GLY 6 N -1.11 1.56 3.73 6.12 0.00 0.34 -5.03 105.19 110.79 2q3s n GLY 6 Ca 0.49 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 2q3s n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2q3s n PRO 7 N -0.96 1.60 -4.23 1.61 -0.04 -1.26 -4.55 135.00 127.17 2q3s n PRO 7 Ca 0.00 0.59 -0.32 0.00 -0.04 0.00 0.00 63.50 63.73 2q3s n PRO 7 Cb 0.00 -2.54 -0.09 0.00 -0.04 0.00 0.00 33.50 30.83 2q3s n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2q3s s LYS 8 N -2.90 2.69 0.07 0.54 -2.85 -1.26 -3.60 119.74 112.43 2q3s s LYS 8 Ca 0.73 -0.70 0.09 0.00 -1.00 0.00 0.00 55.97 55.09 2q3s s LYS 8 Cb -0.42 -2.61 -0.03 0.00 -2.06 0.00 0.00 37.83 32.71 2q3s s LYS 8 CO 0.48 0.59 -0.24 -0.06 0.10 0.00 0.00 175.35 176.22 2q3s s PHE 9 N -1.17 2.12 0.60 1.78 0.08 -1.12 -4.95 117.98 115.31 2q3s s PHE 9 Ca 0.22 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 56.92 2q3s s PHE 9 Cb -0.12 -1.22 0.08 0.00 -0.57 0.00 0.00 43.02 41.19 2q3s s PHE 9 CO 0.13 0.18 0.83 0.21 -0.10 0.00 0.00 175.22 176.47 2q3s s LYS 10 N -1.51 2.19 0.20 0.44 2.20 -1.26 -1.56 119.74 120.45 2q3s s LYS 10 Ca 0.10 -1.28 0.23 0.00 -0.36 0.00 0.00 55.97 54.66 2q3s s LYS 10 Cb -0.10 -2.53 0.14 0.00 -1.51 0.00 0.00 37.83 33.84 2q3s s LYS 10 CO 0.03 -0.96 1.19 1.79 -0.36 0.00 0.00 175.35 177.04 2q3s h THR 12 N -0.02 0.00 -0.52 3.43 1.35 -1.91 -3.47 112.91 111.77 2q3s h THR 12 Ca -0.35 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 2q3s h THR 12 Cb 1.28 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2q3s h THR 12 CO 0.43 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.80 2q3s n ASP 13 N -2.53 2.84 0.00 5.36 5.75 -1.26 -4.91 116.55 121.80 2q3s n ASP 13 Ca 0.01 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2q3s n ASP 13 Cb 0.51 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 1.35 1.94 3.78 6.12 0.00 -1.26 -5.04 105.19 112.08 2q3s n GLY 14 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.09 3.39 0.08 1.61 1.04 -1.26 -4.99 113.70 110.48 2q3s s SER 15 Ca 0.00 0.95 0.06 0.00 0.48 0.00 0.00 55.95 57.45 2q3s s SER 15 Cb 0.00 -1.52 -0.03 0.00 0.10 0.00 0.00 66.02 64.57 2q3s s SER 15 CO 0.00 -2.63 -0.17 -0.31 0.98 0.00 0.00 173.24 171.11 2q3s s TYR 16 N -3.27 1.46 -0.13 5.02 1.51 -1.26 -4.21 117.35 116.48 2q3s s TYR 16 Ca 0.64 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 2q3s s TYR 16 Cb -0.15 -0.81 -0.01 0.00 -0.11 0.00 0.00 41.96 40.88 2q3s s TYR 16 CO 0.54 0.12 -0.17 0.08 -1.11 0.00 0.00 175.55 175.00 2q3s s VAL 17 N -1.19 2.65 -0.18 0.71 1.01 -0.60 -4.80 120.40 118.00 2q3s s VAL 17 Ca 0.02 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 2q3s s VAL 17 Cb -0.10 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2q3s s VAL 17 CO 0.03 0.53 0.37 -1.10 0.00 0.00 0.00 175.10 174.93 2q3s s GLN 18 N 0.44 4.23 0.22 2.72 -0.21 0.17 -2.81 119.66 124.42 2q3s s GLN 18 Ca -0.12 0.19 0.11 0.00 0.02 0.00 0.00 55.36 55.56 2q3s s GLN 18 Cb -0.16 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.32 2q3s s GLN 18 CO 0.06 0.09 -0.20 0.95 -2.12 0.00 0.00 175.29 174.07 2q3s s THR 19 N 0.91 2.55 -0.01 -0.19 -4.23 -1.24 -1.70 115.64 111.73 2q3s s THR 19 Ca 0.19 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2q3s s THR 19 Cb -0.14 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.44 2q3s s THR 19 CO 0.07 -0.21 0.01 -0.75 -0.54 0.00 0.00 174.62 173.20 2q3s s LYS 20 N -2.99 0.00 -0.17 3.99 2.47 -0.90 -0.50 119.74 121.64 2q3s s LYS 20 Ca 0.24 0.08 0.01 0.00 -1.56 0.00 0.00 55.97 54.75 2q3s s LYS 20 Cb -0.07 -0.14 0.02 0.00 -1.46 0.00 0.00 37.83 36.19 2q3s s LYS 20 CO 0.12 -0.08 -0.16 0.99 0.16 0.00 0.00 175.35 176.38 2q3s s THR 21 N 0.51 1.83 -0.06 3.43 2.01 -1.26 -0.38 115.64 121.72 2q3s s THR 21 Ca -0.04 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.16 2q3s s THR 21 Cb -0.06 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 2q3s s THR 21 CO -0.01 0.45 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.49 2q3s s ILE 22 N 1.37 2.05 -0.46 1.82 1.01 0.00 -4.99 121.20 122.01 2q3s s ILE 22 Ca 0.04 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.39 2q3s s ILE 22 Cb -0.14 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.62 2q3s s ILE 22 CO -0.11 0.57 0.83 -1.81 0.00 0.00 0.00 174.94 174.42 2q3s s ASP 23 N -0.13 6.43 -0.19 3.58 1.01 -1.26 -0.07 116.67 126.04 2q3s s ASP 23 Ca -0.05 -0.07 -0.25 0.00 0.71 0.00 0.00 52.55 52.89 2q3s s ASP 23 Cb -0.14 -2.41 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 2q3s s ASP 23 CO 0.04 -0.98 0.83 -0.69 0.21 0.00 0.00 175.17 174.59 2q3s s VAL 24 N 3.46 4.87 0.00 -1.27 1.01 -0.59 -4.94 120.40 122.94 2q3s s VAL 24 Ca 0.32 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.92 2q3s s VAL 24 Cb -0.12 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.13 2q3s s VAL 24 CO 0.23 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.95 2q3s n GLY 25 N 3.52 3.26 0.27 4.51 0.00 -1.26 -4.37 105.19 111.11 2q3s n GLY 25 Ca 0.05 -2.15 0.18 0.00 0.00 0.00 0.00 46.02 44.09 2q3s n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2q3s h SER 26 N 0.00 0.00 0.00 1.61 4.64 -1.97 -3.25 113.55 114.58 2q3s h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2q3s h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2q3s h SER 26 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 2q3s n SER 27 N -2.92 0.74 -4.60 4.97 3.41 -1.26 -4.55 113.62 109.41 2q3s n SER 27 Ca -0.00 -1.02 -0.38 0.00 -0.26 0.00 0.00 58.87 57.20 2q3s n SER 27 Cb 0.23 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.22 2q3s n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2q3s n THR 28 N -0.01 3.33 -3.91 6.66 -1.04 -1.23 -4.97 114.28 113.11 2q3s n THR 28 Ca 0.00 -0.50 -0.34 0.00 -2.04 0.00 0.00 64.05 61.17 2q3s n THR 28 Cb 0.08 -1.09 -0.13 0.00 -1.82 0.00 0.00 70.33 67.37 2q3s n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2q3s s ASP 29 N -1.17 4.94 0.00 8.00 3.68 -1.26 -4.87 116.67 125.99 2q3s s ASP 29 Ca 0.73 -1.71 0.22 0.00 2.13 0.00 0.00 52.55 53.92 2q3s s ASP 29 Cb -0.44 -1.72 -0.04 0.00 -1.45 0.00 0.00 42.92 39.28 2q3s s ASP 29 CO 0.49 -0.37 1.05 2.30 0.13 0.00 0.00 175.17 178.77 2q3s n ILE 30 N 4.52 0.00 -0.34 4.11 -5.35 -1.26 -4.47 119.36 116.57 2q3s n ILE 30 Ca -0.06 -0.09 0.09 0.00 -0.27 0.00 0.00 62.75 62.41 2q3s n ILE 30 Cb 0.42 0.98 0.27 0.00 -1.74 0.00 0.00 39.64 39.58 2q3s n ILE 30 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2q3s h SER 31 N 0.86 0.86 -0.27 7.28 0.02 -1.96 -0.34 113.55 120.00 2q3s h SER 31 Ca 0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 2q3s h SER 31 Cb 0.58 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2q3s h SER 31 CO 0.00 0.44 0.11 -0.65 -1.14 0.00 0.00 176.83 175.59 2q3s h PRO 32 N 0.92 0.47 0.01 3.45 0.11 -1.99 0.30 132.00 135.27 2q3s h PRO 32 Ca 0.50 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 2q3s h PRO 32 Cb 0.57 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2q3s h PRO 32 CO -0.26 0.42 -0.00 1.88 -0.21 0.00 0.00 178.00 179.82 2q3s h TYR 33 N 0.47 -0.01 -1.00 0.65 0.05 -1.54 -1.84 116.97 113.75 2q3s h TYR 33 Ca 0.12 -0.00 0.23 0.00 0.05 0.00 0.00 58.73 59.12 2q3s h TYR 33 Cb 0.14 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 37.78 2q3s h TYR 33 CO 0.01 0.74 0.62 -0.07 -1.05 0.00 0.00 178.16 178.40 2q3s h LEU 34 N -0.76 0.63 0.17 3.88 3.38 -0.90 -1.31 115.31 120.40 2q3s h LEU 34 Ca -0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2q3s h LEU 34 Cb 0.75 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2q3s h LEU 34 CO 0.00 0.17 -0.48 0.28 0.09 0.00 0.00 178.44 178.50 2q3s h SER 35 N 0.58 -1.43 -0.70 -0.43 0.02 -0.11 0.10 113.55 111.59 2q3s h SER 35 Ca 0.59 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.76 2q3s h SER 35 Cb 1.18 0.52 -0.04 0.00 0.14 0.00 0.00 62.40 64.20 2q3s h SER 35 CO -0.37 -0.55 0.46 -0.07 -1.14 0.00 0.00 176.83 175.17 2q3s h LEU 36 N -0.75 0.63 0.13 5.07 3.38 -0.42 -0.39 115.31 122.95 2q3s h LEU 36 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2q3s h LEU 36 Cb 0.75 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2q3s h LEU 36 CO -0.24 0.41 -0.06 0.40 0.09 0.00 0.00 178.44 179.03 2q3s h ILE 37 N 0.72 1.00 0.62 1.22 1.08 -0.44 -0.87 117.51 120.84 2q3s h ILE 37 Ca 0.30 -0.53 -0.02 0.00 -0.39 0.00 0.00 64.86 64.22 2q3s h ILE 37 Cb 0.27 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2q3s h ILE 37 CO -0.10 0.13 -0.44 -0.09 -0.69 0.00 0.00 178.15 176.96 2q3s h ARG 38 N -0.42 -0.98 -0.39 2.37 2.43 -0.42 0.93 114.38 117.89 2q3s h ARG 38 Ca -0.02 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2q3s h ARG 38 Cb 0.34 0.22 -0.08 0.00 -0.42 0.00 0.00 29.97 30.03 2q3s h ARG 38 CO 0.03 -0.66 -0.17 1.49 -1.51 0.00 0.00 179.97 179.15 2q3s h GLU 39 N -1.02 -0.09 -0.28 0.20 4.81 -1.14 0.12 114.58 117.18 2q3s h GLU 39 Ca -0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2q3s h GLU 39 Cb 0.84 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2q3s h GLU 39 CO 0.04 -0.06 -0.07 0.22 -0.73 0.00 0.00 179.01 178.41 2q3s h ASP 40 N -0.10 0.41 0.35 1.04 1.82 -1.01 0.78 116.42 119.71 2q3s h ASP 40 Ca 0.19 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.73 2q3s h ASP 40 Cb 0.39 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2q3s h ASP 40 CO -0.46 0.53 -0.17 -1.28 -1.61 0.00 0.00 179.24 176.25 2q3s h SER 41 N 0.42 -0.40 -0.23 2.28 0.87 0.19 0.24 113.55 116.90 2q3s h SER 41 Ca 0.09 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2q3s h SER 41 Cb 0.38 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2q3s h SER 41 CO 0.02 -0.06 0.08 0.40 -0.53 0.00 0.00 176.83 176.74 2q3s h ILE 42 N -0.78 1.18 0.00 2.23 2.04 -0.52 1.07 117.51 122.74 2q3s h ILE 42 Ca -0.05 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2q3s h ILE 42 Cb 0.52 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2q3s h ILE 42 CO 0.08 0.18 -0.36 -0.07 0.00 0.00 0.00 178.15 177.98 2q3s h LEU 43 N 0.22 0.00 -1.65 1.44 3.38 0.51 -3.39 115.31 115.81 2q3s h LEU 43 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2q3s h LEU 43 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2q3s h LEU 43 CO -0.00 0.36 -0.21 0.59 0.09 0.00 0.00 178.44 179.26 2q3s n ASN 44 N -3.25 0.25 -0.36 -0.43 3.02 0.82 -4.94 115.26 110.37 2q3s n ASN 44 Ca 0.02 -1.60 0.01 0.00 -0.03 0.00 0.00 54.58 52.98 2q3s n ASN 44 Cb 0.63 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 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 -0.11 0.26 4.01 7.41 0.00 0.37 -4.88 105.19 112.26 2q3s n GLY 45 Ca 0.01 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.13 -4.21 -3.17 1.61 5.03 -1.16 -2.64 115.26 110.60 2q3s n ASN 46 Ca 0.01 -0.85 -0.18 0.00 0.87 0.00 0.00 54.58 54.43 2q3s n ASN 46 Cb 0.65 -3.39 0.07 0.00 -1.02 0.00 0.00 39.78 36.09 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 -4.52 -6.44 -5.03 3.52 3.00 -1.17 -4.96 116.66 101.05 2q3s n ARG 47 Ca 0.06 0.73 -0.32 0.00 -0.01 0.00 0.00 57.85 58.31 2q3s n ARG 47 Cb 0.51 -5.45 -0.15 0.00 0.00 0.00 0.00 32.46 27.37 2q3s n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2q3s s ALA 48 N -3.30 2.43 -0.27 7.54 0.00 -1.08 -2.02 121.76 125.06 2q3s s ALA 48 Ca 0.28 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2q3s s ALA 48 Cb -0.12 -0.88 0.09 0.00 0.00 0.00 0.00 23.12 22.20 2q3s s ALA 48 CO 0.64 0.43 0.08 0.08 0.00 0.00 0.00 175.76 176.99 2q3s s VAL 49 N -0.26 0.58 0.42 0.00 1.01 -1.24 -4.67 120.40 116.24 2q3s s VAL 49 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 2q3s s VAL 49 Cb -0.13 -1.33 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 2q3s s VAL 49 CO 0.03 -0.54 0.92 -0.63 0.00 0.00 0.00 175.10 174.88 2q3s s ILE 50 N 1.79 4.46 0.33 2.22 1.09 0.30 -1.62 121.20 129.78 2q3s s ILE 50 Ca 0.06 1.36 -0.07 0.00 -1.10 0.00 0.00 60.65 60.90 2q3s s ILE 50 Cb -0.17 -3.62 0.01 0.00 -1.06 0.00 0.00 42.46 37.62 2q3s s ILE 50 CO -0.22 -0.35 0.54 0.72 -0.10 0.00 0.00 174.94 175.53 2q3s s PHE 51 N -2.21 0.75 -0.02 3.97 -0.12 -0.05 0.27 117.98 120.57 2q3s s PHE 51 Ca 0.60 -1.09 -0.29 0.00 -0.05 0.00 0.00 56.93 56.10 2q3s s PHE 51 Cb -0.09 0.15 0.08 0.00 -0.63 0.00 0.00 43.02 42.53 2q3s s PHE 51 CO 0.16 -1.20 0.74 0.34 -0.05 0.00 0.00 175.22 175.21 2q3s s ASP 52 N -3.16 -0.56 -0.27 1.98 -1.08 -0.78 -4.65 116.67 108.14 2q3s s ASP 52 Ca 0.26 0.45 -0.00 0.00 -0.52 0.00 0.00 52.55 52.74 2q3s s ASP 52 Cb -0.01 0.50 0.08 0.00 -1.46 0.00 0.00 42.92 42.02 2q3s s ASP 52 CO 0.16 -0.64 0.04 0.68 0.52 0.00 0.00 175.17 175.94 2q3s s VAL 53 N -1.87 1.09 -0.06 1.11 -7.23 -1.26 -0.80 120.40 111.38 2q3s s VAL 53 Ca -0.06 -1.24 -0.27 0.00 -1.81 0.00 0.00 61.98 58.61 2q3s s VAL 53 Cb -0.00 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 2q3s s VAL 53 CO 0.02 -0.41 0.87 -0.31 -0.31 0.00 0.00 175.10 174.96 2q3s s TYR 54 N 1.55 3.58 0.11 2.82 1.51 0.37 -4.95 117.35 122.35 2q3s s TYR 54 Ca 0.03 1.48 0.03 0.00 -1.01 0.00 0.00 57.07 57.60 2q3s s TYR 54 Cb -0.18 -3.01 -0.04 0.00 -0.11 0.00 0.00 41.96 38.63 2q3s s TYR 54 CO -0.15 -0.03 0.18 -1.58 -1.11 0.00 0.00 175.55 172.86 2q3s s TRP 55 N 1.20 3.34 -0.51 2.71 0.52 -1.26 -0.34 118.94 124.60 2q3s s TRP 55 Ca 0.45 0.11 -0.13 0.00 0.02 0.00 0.00 56.10 56.55 2q3s s TRP 55 Cb -0.19 -1.64 0.12 0.00 -1.15 0.00 0.00 33.47 30.61 2q3s s TRP 55 CO 0.22 0.54 0.43 0.34 0.02 0.00 0.00 176.95 178.49 2q3s s ASP 56 N -2.80 5.98 -0.16 2.95 3.68 0.64 -4.67 116.67 122.28 2q3s s ASP 56 Ca 0.32 -1.82 -0.29 0.00 2.13 0.00 0.00 52.55 52.90 2q3s s ASP 56 Cb -0.12 -2.12 -0.05 0.00 -1.45 0.00 0.00 42.92 39.18 2q3s s ASP 56 CO 0.26 -0.78 1.86 -0.69 0.13 0.00 0.00 175.17 175.95 2q3s s VAL 57 N 1.50 3.35 0.30 1.11 1.01 -1.26 -2.04 120.40 124.37 2q3s s VAL 57 Ca 0.04 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2q3s s VAL 57 Cb -0.28 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.72 2q3s s VAL 57 CO 0.02 -0.15 0.29 -0.83 0.00 0.00 0.00 175.10 174.43 2q3s s GLY 58 N 5.40 1.89 -0.01 4.51 0.00 -1.24 -5.00 107.32 112.86 2q3s s GLY 58 Ca 0.83 -1.83 0.03 0.00 0.00 0.00 0.00 44.72 43.75 2q3s s GLY 58 CO 0.34 -1.33 -0.08 -1.36 0.00 0.00 0.00 173.10 170.67 2q3s s PHE 59 N -3.55 2.87 0.00 1.90 2.99 -1.26 -4.01 117.98 116.92 2q3s s PHE 59 Ca 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 56.93 57.26 2q3s s PHE 59 Cb 0.03 -1.62 0.00 0.00 0.00 0.00 0.00 43.02 41.43 2q3s s PHE 59 CO 0.22 0.35 0.00 -2.37 -0.00 0.00 0.00 175.22 173.42 2q3s n THR 66 N 1.69 0.00 -0.14 0.64 5.66 -1.26 -4.78 114.28 116.10 2q3s n THR 66 Ca -0.16 0.00 0.20 0.00 -3.05 0.00 0.00 64.05 61.04 2q3s n THR 66 Cb 0.53 0.00 0.60 0.00 -1.55 0.00 0.00 70.33 69.90 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 1.24 0.21 0.00 1.09 6.56 -2.04 -0.42 116.57 123.21 2q3s h LYS 67 Ca 0.00 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2q3s h LYS 67 Cb 0.00 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 2q3s h LYS 67 CO 0.00 0.14 -0.25 0.25 -2.06 0.00 0.00 179.45 177.53 2q3s n THR 68 N -4.42 0.35 0.18 -0.16 -2.24 -1.26 -3.52 114.28 103.20 2q3s n THR 68 Ca 0.15 -0.20 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 2q3s n THR 68 Cb 0.67 -0.33 0.58 0.00 -2.10 0.00 0.00 70.33 69.15 2q3s n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2q3s h SER 69 N 0.00 0.00 1.55 3.42 4.64 -1.45 0.17 113.55 121.87 2q3s h SER 69 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2q3s h SER 69 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2q3s h SER 69 CO 0.00 0.00 -0.08 1.23 -0.87 0.00 0.00 176.83 177.11 2q3s h GLY 70 N 0.00 0.00 -2.08 -0.77 0.00 -1.72 -3.46 103.07 95.04 2q3s h GLY 70 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2q3s h GLY 70 CO 0.00 0.00 0.47 -0.98 0.00 0.00 0.00 176.54 176.03 2q3s s TRP 71 N -3.36 2.41 0.08 5.60 0.52 0.04 -3.69 118.94 120.54 2q3s s TRP 71 Ca 0.04 1.52 -0.03 0.00 0.02 0.00 0.00 56.10 57.65 2q3s s TRP 71 Cb 0.07 -3.46 -0.03 0.00 -1.15 0.00 0.00 33.47 28.90 2q3s s TRP 71 CO 0.64 -2.15 0.05 0.45 0.02 0.00 0.00 176.95 175.95 2q3s s SER 72 N -1.63 0.36 -0.26 2.95 0.15 -0.86 -4.81 113.70 109.60 2q3s s SER 72 Ca 0.77 -0.95 -0.22 0.00 0.70 0.00 0.00 55.95 56.25 2q3s s SER 72 Cb -0.30 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.26 2q3s s SER 72 CO 0.33 -0.66 0.69 -0.22 1.20 0.00 0.00 173.24 174.57 2q3s s LEU 73 N -2.93 4.07 -0.18 3.45 2.96 -1.26 -0.26 118.68 124.53 2q3s s LEU 73 Ca 0.10 0.77 -0.15 0.00 -0.22 0.00 0.00 54.13 54.63 2q3s s LEU 73 Cb 0.07 -2.95 -0.10 0.00 0.50 0.00 0.00 46.19 43.71 2q3s s LEU 73 CO -0.08 -0.43 -0.05 -0.24 -1.32 0.00 0.00 176.35 174.24 2q3s n SER 74 N 5.82 1.85 -3.94 3.68 2.88 0.53 -4.71 113.62 119.73 2q3s n SER 74 Ca 0.01 0.51 -0.10 0.00 -1.33 0.00 0.00 58.87 57.97 2q3s n SER 74 Cb 0.49 -0.90 -0.06 0.00 -0.75 0.00 0.00 64.21 62.98 2q3s n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2q3s s SER 75 N -6.31 -0.02 0.04 -3.46 1.04 -0.40 0.26 113.70 104.85 2q3s s SER 75 Ca -0.23 -0.83 0.02 0.00 0.48 0.00 0.00 55.95 55.39 2q3s s SER 75 Cb 0.05 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 2q3s s SER 75 CO 0.40 -0.96 -0.08 0.68 0.98 0.00 0.00 173.24 174.27 2q3s s VAL 76 N -3.97 0.53 -0.12 5.02 -7.23 0.32 -0.48 120.40 114.48 2q3s s VAL 76 Ca 0.17 -0.98 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2q3s s VAL 76 Cb 0.02 -0.58 -0.01 0.00 0.56 0.00 0.00 36.38 36.37 2q3s s VAL 76 CO 0.01 -0.32 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.57 2q3s s LYS 77 N -1.40 3.26 -0.21 4.82 2.20 0.02 -0.53 119.74 127.90 2q3s s LYS 77 Ca -0.08 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 2q3s s LYS 77 Cb -0.09 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.75 2q3s s LYS 77 CO 0.00 0.20 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.53 2q3s s LEU 78 N 0.34 2.61 -0.05 5.43 1.43 0.21 -1.87 118.68 126.78 2q3s s LEU 78 Ca -0.14 -0.89 -0.00 0.00 -1.03 0.00 0.00 54.13 52.07 2q3s s LEU 78 Cb -0.17 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 2q3s s LEU 78 CO 0.07 -0.07 -0.01 -0.44 0.23 0.00 0.00 176.35 176.14 2q3s s SER 79 N 1.24 5.13 0.34 2.29 0.01 0.76 0.53 113.70 124.00 2q3s s SER 79 Ca 0.00 0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.37 2q3s s SER 79 Cb -0.15 -1.39 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 2q3s s SER 79 CO -0.10 0.34 0.08 0.42 0.41 0.00 0.00 173.24 174.39 2q3s s THR 80 N -0.95 0.97 0.20 1.44 -4.23 0.32 0.11 115.64 113.50 2q3s s THR 80 Ca 0.15 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.58 2q3s s THR 80 Cb -0.11 -2.65 0.13 0.00 1.34 0.00 0.00 72.50 71.21 2q3s s THR 80 CO 0.05 0.00 1.75 -0.09 -0.54 0.00 0.00 174.62 175.80 2q3s h ARG 81 N 2.04 1.11 0.00 3.99 2.43 -1.89 -3.20 114.38 118.86 2q3s h ARG 81 Ca -0.39 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.44 2q3s h ARG 81 Cb 1.25 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2q3s h ARG 81 CO 0.65 0.92 -1.31 0.09 -1.51 0.00 0.00 179.97 178.82 2q3s n ASN 82 N -4.32 0.86 -4.12 -3.80 3.02 -1.26 -4.76 115.26 100.89 2q3s n ASN 82 Ca 0.06 0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.84 2q3s n ASN 82 Cb 0.20 0.23 -0.11 0.00 -0.61 0.00 0.00 39.78 39.48 2q3s n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2q3s s LEU 83 N -5.68 2.32 -0.16 3.41 1.43 -1.21 0.45 118.68 119.24 2q3s s LEU 83 Ca -0.02 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.39 2q3s s LEU 83 Cb 0.09 -0.23 0.05 0.00 0.03 0.00 0.00 46.19 46.12 2q3s s LEU 83 CO 0.81 -0.23 0.01 0.00 0.23 0.00 0.00 176.35 177.17 2q3s s LEU 85 N 1.83 3.42 -0.19 0.00 2.96 0.19 -2.12 118.68 124.77 2q3s s LEU 85 Ca 0.01 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 2q3s s LEU 85 Cb -0.16 -1.86 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 2q3s s LEU 85 CO -0.07 0.12 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.68 2q3s s PHE 86 N 0.69 2.98 -0.27 5.38 0.08 0.49 0.63 117.98 127.96 2q3s s PHE 86 Ca 0.00 -0.59 -0.04 0.00 0.12 0.00 0.00 56.93 56.42 2q3s s PHE 86 Cb -0.14 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2q3s s PHE 86 CO 0.02 -0.29 0.01 -0.51 -0.10 0.00 0.00 175.22 174.35 2q3s s LEU 87 N 0.92 3.53 -0.25 -0.37 1.43 0.31 -0.82 118.68 123.42 2q3s s LEU 87 Ca -0.00 -0.81 -0.18 0.00 -1.03 0.00 0.00 54.13 52.10 2q3s s LEU 87 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 2q3s s LEU 87 CO 0.01 -0.16 0.54 -0.13 0.23 0.00 0.00 176.35 176.84 2q3s s ARG 88 N 1.40 4.09 -0.11 1.70 0.52 0.90 -0.52 118.95 126.93 2q3s s ARG 88 Ca 0.01 0.38 -0.02 0.00 -0.52 0.00 0.00 55.73 55.57 2q3s s ARG 88 Cb -0.17 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.62 2q3s s ARG 88 CO -0.01 -0.35 -0.01 -0.51 0.02 0.00 0.00 175.30 174.44 2q3s s LEU 89 N 2.29 3.48 0.79 2.53 1.43 0.74 -1.54 118.68 128.40 2q3s s LEU 89 Ca 0.22 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 2q3s s LEU 89 Cb -0.16 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.32 2q3s s LEU 89 CO 0.09 0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.91 2q3s s PRO 90 N -0.48 2.15 0.09 1.29 0.04 -1.26 -4.59 135.00 132.24 2q3s s PRO 90 Ca 0.08 1.10 -0.23 0.00 0.04 0.00 0.00 61.00 61.99 2q3s s PRO 90 Cb -0.12 -1.89 -0.14 0.00 0.04 0.00 0.00 34.50 32.39 2q3s s PRO 90 CO 0.02 -1.70 1.74 -0.22 0.04 0.00 0.00 177.00 176.88 2q3s h LYS 91 N -1.17 -0.02 -5.74 4.56 1.63 -1.93 -3.39 116.57 110.51 2q3s h LYS 91 Ca -0.44 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 58.73 2q3s h LYS 91 Cb 1.24 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.74 2q3s h LYS 91 CO 0.52 -0.01 0.41 -1.25 -3.45 0.00 0.00 179.45 175.67 2q3s s PRO 92 N -6.19 3.35 0.17 1.90 0.04 -1.26 -4.92 135.00 128.10 2q3s s PRO 92 Ca -0.13 -0.24 -0.26 0.00 0.04 0.00 0.00 61.00 60.41 2q3s s PRO 92 Cb 0.06 -4.00 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 2q3s s PRO 92 CO 0.66 -1.27 0.80 -0.06 0.04 0.00 0.00 177.00 177.17 2q3s s PHE 93 N 3.48 3.92 0.44 0.56 0.08 -1.26 -5.06 117.98 120.13 2q3s s PHE 93 Ca 0.29 1.68 0.07 0.00 0.12 0.00 0.00 56.93 59.08 2q3s s PHE 93 Cb -0.13 -2.80 0.07 0.00 -0.57 0.00 0.00 43.02 39.58 2q3s s PHE 93 CO 0.20 0.50 0.57 0.72 -0.10 0.00 0.00 175.22 177.12 2q3s n HIS 94 N 1.62 -2.27 0.21 0.36 8.25 -1.26 -5.02 115.22 117.12 2q3s n HIS 94 Ca -0.05 -1.62 0.07 0.00 -0.26 0.00 0.00 57.72 55.86 2q3s n HIS 94 Cb 0.48 -0.41 0.46 0.00 1.12 0.00 0.00 29.99 31.64 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 0.12 0.00 -0.22 0.41 5.19 -1.97 -2.51 116.42 117.45 2q3s h ASP 95 Ca -0.21 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.15 2q3s h ASP 95 Cb 0.95 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 2q3s h ASP 95 CO 0.31 0.29 -0.01 -0.55 -3.12 0.00 0.00 179.24 176.15 2q3s h ASN 96 N 0.00 0.49 0.05 6.45 -1.07 -1.92 -1.88 115.58 117.70 2q3s h ASN 96 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 56.30 56.27 2q3s h ASN 96 Cb 0.68 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 36.80 2q3s h ASN 96 CO 0.04 0.57 0.00 0.18 0.07 0.00 0.00 177.43 178.28 2q3s n LEU 97 N -4.27 0.00 0.24 6.14 4.77 -0.94 -2.20 117.00 120.72 2q3s n LEU 97 Ca 0.01 0.12 0.10 0.00 -0.03 0.00 0.00 56.01 56.21 2q3s n LEU 97 Cb 0.25 -0.12 0.58 0.00 -2.33 0.00 0.00 43.42 41.80 2q3s n LEU 97 CO 0.39 -0.09 0.87 0.11 -1.33 0.00 0.00 177.39 177.34 2q3s h LYS 98 N 0.00 0.00 -0.65 3.23 1.57 -1.50 -1.70 116.57 117.52 2q3s h LYS 98 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2q3s h LYS 98 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 2q3s h LYS 98 CO 0.00 0.20 0.44 -0.44 -0.57 0.00 0.00 179.45 179.08 2q3s h ASP 99 N 0.00 0.42 -0.30 0.86 3.32 -1.67 -1.00 116.42 118.05 2q3s h ASP 99 Ca -0.00 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2q3s h ASP 99 Cb 0.52 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 2q3s h ASP 99 CO 0.03 0.25 -0.37 0.25 -1.72 0.00 0.00 179.24 177.67 2q3s h LEU 100 N 0.46 0.85 -0.34 1.55 5.85 -1.55 -0.92 115.31 121.21 2q3s h LEU 100 Ca 0.30 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2q3s h LEU 100 Cb 0.57 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2q3s h LEU 100 CO -0.09 1.17 0.19 1.88 -0.34 0.00 0.00 178.44 181.25 2q3s h TYR 101 N 0.55 0.47 -0.72 1.25 -1.99 -1.33 0.12 116.97 115.31 2q3s h TYR 101 Ca 0.04 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 2q3s h TYR 101 Cb 0.96 -0.15 -0.03 0.00 2.00 0.00 0.00 36.73 39.51 2q3s h TYR 101 CO 0.07 0.37 0.28 0.00 -0.00 0.00 0.00 178.16 178.88 2q3s h ARG 102 N 0.43 1.08 -0.38 4.88 3.08 -1.15 -1.56 114.38 120.76 2q3s h ARG 102 Ca 0.12 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2q3s h ARG 102 Cb 0.06 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2q3s h ARG 102 CO -0.02 0.89 -0.14 0.35 -1.07 0.00 0.00 179.97 179.97 2q3s h PHE 103 N 1.06 0.76 0.00 3.04 3.57 -0.49 -2.20 116.94 122.68 2q3s h PHE 103 Ca 0.24 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2q3s h PHE 103 Cb 0.22 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2q3s h PHE 103 CO 0.02 0.80 0.00 0.74 -2.23 0.00 0.00 178.31 177.64 2q3s h PHE 104 N 0.62 0.00 0.00 0.41 0.05 -0.40 -2.94 116.94 114.68 2q3s h PHE 104 Ca 0.10 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.89 2q3s h PHE 104 Cb 0.60 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.55 2q3s h PHE 104 CO 0.03 0.00 -0.48 0.00 -0.18 0.00 0.00 178.31 177.68 2q3s n ALA 105 N -1.93 3.02 -1.75 2.45 0.00 -0.62 -2.79 120.51 118.89 2q3s n ALA 105 Ca 0.04 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 2q3s n ALA 105 Cb 0.42 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.86 3.51 -1.04 0.00 2.88 -0.95 -4.32 113.62 111.84 2q3s n SER 106 Ca 0.05 1.22 0.11 0.00 -1.33 0.00 0.00 58.87 58.92 2q3s n SER 106 Cb 0.39 -1.58 0.25 0.00 -0.75 0.00 0.00 64.21 62.53 2q3s n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2q3s n LYS 107 N 0.62 2.35 -0.22 -1.46 5.02 -1.26 -4.30 118.16 118.91 2q3s n LYS 107 Ca 0.03 -2.05 -0.06 0.00 -2.02 0.00 0.00 58.31 54.21 2q3s n LYS 107 Cb 0.38 -1.49 0.09 0.00 -0.02 0.00 0.00 35.03 33.99 2q3s n LYS 107 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2q3s h PHE 108 N 3.94 1.10 -3.58 2.13 -1.00 -1.96 -3.44 116.94 114.13 2q3s h PHE 108 Ca 0.00 -0.13 -0.45 0.00 2.81 0.00 0.00 57.97 60.20 2q3s h PHE 108 Cb 0.87 -0.31 -0.19 0.00 3.61 0.00 0.00 35.95 39.93 2q3s h PHE 108 CO 0.24 0.90 -0.77 0.14 -1.61 0.00 0.00 178.31 177.21 2q3s s VAL 109 N -5.26 1.45 -0.51 -0.55 -7.23 -1.26 -4.91 120.40 102.13 2q3s s VAL 109 Ca -0.11 -1.71 -0.22 0.00 -1.81 0.00 0.00 61.98 58.12 2q3s s VAL 109 Cb 0.15 -1.57 0.04 0.00 0.56 0.00 0.00 36.38 35.57 2q3s s VAL 109 CO 0.84 -0.35 0.78 -0.89 -0.31 0.00 0.00 175.10 175.16 2q3s s THR 110 N -1.98 4.64 0.30 5.32 2.01 -0.86 -4.74 115.64 120.34 2q3s s THR 110 Ca 0.09 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 2q3s s THR 110 Cb -0.06 -4.39 -0.10 0.00 0.01 0.00 0.00 72.50 67.96 2q3s s THR 110 CO 0.04 -0.89 1.36 -0.36 -0.69 0.00 0.00 174.62 174.08 2q3s s PHE 111 N 3.29 3.02 0.16 4.92 0.08 0.48 -3.62 117.98 126.31 2q3s s PHE 111 Ca 0.25 1.26 0.09 0.00 0.12 0.00 0.00 56.93 58.65 2q3s s PHE 111 Cb -0.15 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.52 2q3s s PHE 111 CO 0.18 -2.19 -0.21 0.08 -0.10 0.00 0.00 175.22 172.98 2q3s s VAL 112 N -0.69 1.93 -0.08 -0.44 1.01 -0.64 -2.71 120.40 118.79 2q3s s VAL 112 Ca 0.53 -1.85 -0.32 0.00 0.00 0.00 0.00 61.98 60.34 2q3s s VAL 112 Cb -0.41 -1.85 0.12 0.00 0.00 0.00 0.00 36.38 34.25 2q3s s VAL 112 CO 0.49 -0.19 1.21 -0.83 0.00 0.00 0.00 175.10 175.78 2q3s s GLY 113 N -2.47 -0.35 0.01 4.51 0.00 -1.13 -0.87 107.32 107.01 2q3s s GLY 113 Ca 0.15 1.05 0.01 0.00 0.00 0.00 0.00 44.72 45.93 2q3s s GLY 113 CO 0.07 0.30 0.03 0.14 0.00 0.00 0.00 173.10 173.63 2q3s s VAL 114 N -2.52 4.33 -0.68 1.40 1.01 -1.26 -0.91 120.40 121.76 2q3s s VAL 114 Ca 0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 2q3s s VAL 114 Cb 0.02 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2q3s s VAL 114 CO -0.04 0.34 0.44 0.00 0.00 0.00 0.00 175.10 175.84 2q3s n GLN 115 N 1.23 -0.86 -0.14 2.72 1.13 -1.26 -4.87 117.38 115.33 2q3s n GLN 115 Ca -0.14 0.29 0.08 0.00 -1.94 0.00 0.00 57.00 55.29 2q3s n GLN 115 Cb 0.53 -1.50 0.15 0.00 0.11 0.00 0.00 30.24 29.52 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 -2.67 0.55 0.01 5.09 -5.35 -1.26 -4.58 119.36 111.15 2q3s n ILE 116 Ca -0.18 -0.78 -0.13 0.00 -0.27 0.00 0.00 62.75 61.40 2q3s n ILE 116 Cb 0.46 0.87 -0.09 0.00 -1.74 0.00 0.00 39.64 39.13 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 2.98 -0.03 -0.86 6.28 4.81 -1.98 0.78 114.58 126.55 2q3s h GLU 117 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2q3s h GLU 117 Cb 0.75 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 2q3s h GLU 117 CO 0.00 0.38 0.50 0.93 -0.73 0.00 0.00 179.01 180.09 2q3s h GLU 118 N -0.44 1.18 0.00 1.92 4.39 -2.00 0.38 114.58 120.01 2q3s h GLU 118 Ca -0.00 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2q3s h GLU 118 Cb 0.42 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2q3s h GLU 118 CO 0.01 0.84 -0.00 -0.44 -1.16 0.00 0.00 179.01 178.25 2q3s h ASP 119 N 1.20 0.00 1.04 1.42 3.32 -1.53 -2.47 116.42 119.40 2q3s h ASP 119 Ca 0.31 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 2q3s h ASP 119 Cb -0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 2q3s h ASP 119 CO -0.05 0.00 -0.97 -0.07 -1.72 0.00 0.00 179.24 176.43 2q3s h LEU 120 N 0.00 0.00 -0.36 1.55 3.38 0.49 -3.14 115.31 117.23 2q3s h LEU 120 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2q3s h LEU 120 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2q3s h LEU 120 CO 0.00 0.91 -0.80 0.44 0.09 0.00 0.00 178.44 179.08 2q3s h ASP 121 N 0.00 0.37 -0.38 -0.43 3.32 -1.20 -0.93 116.42 117.17 2q3s h ASP 121 Ca -0.03 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 2q3s h ASP 121 Cb 1.72 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 2q3s h ASP 121 CO 0.12 1.02 0.05 -0.07 -1.72 0.00 0.00 179.24 178.64 2q3s h LEU 122 N 0.19 0.60 0.85 1.55 3.38 -1.62 0.65 115.31 120.91 2q3s h LEU 122 Ca -0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 2q3s h LEU 122 Cb 1.39 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2q3s h LEU 122 CO 0.13 0.72 -0.45 -0.07 0.09 0.00 0.00 178.44 178.85 2q3s h LEU 123 N 0.47 -1.11 -1.87 1.67 3.38 -1.54 -0.96 115.31 115.36 2q3s h LEU 123 Ca 0.11 0.05 0.27 0.00 0.09 0.00 0.00 57.88 58.40 2q3s h LEU 123 Cb 0.38 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 2q3s h LEU 123 CO 0.01 -0.74 0.68 -0.09 0.09 0.00 0.00 178.44 178.39 2q3s h ARG 124 N -1.20 0.09 0.00 1.13 2.43 -0.60 0.18 114.38 116.41 2q3s h ARG 124 Ca -0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2q3s h ARG 124 Cb 0.94 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2q3s h ARG 124 CO 0.16 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 179.07 2q3s n GLU 125 N -4.32 0.00 -0.29 0.20 1.02 0.22 -2.62 120.64 114.85 2q3s n GLU 125 Ca 0.20 0.16 0.18 0.00 -0.02 0.00 0.00 57.16 57.69 2q3s n GLU 125 Cb 0.97 -0.58 0.46 0.00 -0.02 0.00 0.00 31.44 32.27 2q3s n GLU 125 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2q3s h ASN 126 N 0.00 0.52 0.00 1.62 2.35 -1.49 -2.92 115.58 115.66 2q3s h ASN 126 Ca 0.00 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2q3s h ASN 126 Cb 0.00 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 2q3s h ASN 126 CO 0.00 0.18 0.00 1.41 -1.65 0.00 0.00 177.43 177.37 2q3s n HIS 127 N -4.60 0.00 -1.55 1.19 8.25 -1.23 -4.99 115.22 112.28 2q3s n HIS 127 Ca 0.22 -0.07 -0.19 0.00 -0.26 0.00 0.00 57.72 57.42 2q3s n HIS 127 Cb 0.71 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.07 1.84 3.70 -1.41 0.00 -0.73 -4.92 105.19 103.60 2q3s n GLY 128 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.35 4.37 -0.22 0.99 0.20 0.55 -4.77 118.68 115.45 2q3s s LEU 129 Ca 0.00 2.61 0.01 0.00 0.69 0.00 0.00 54.13 57.44 2q3s s LEU 129 Cb 0.00 -3.58 0.03 0.00 -0.43 0.00 0.00 46.19 42.22 2q3s s LEU 129 CO 0.00 -0.90 -0.13 -0.69 -0.29 0.00 0.00 176.35 174.35 2q3s s VAL 130 N 2.05 2.39 -0.44 1.68 1.01 -1.26 -2.10 120.40 123.73 2q3s s VAL 130 Ca 0.74 -1.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 2q3s s VAL 130 Cb -0.43 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 33.84 2q3s s VAL 130 CO 0.33 0.27 0.31 -0.63 0.00 0.00 0.00 175.10 175.38 2q3s s ILE 131 N 1.25 4.60 0.03 2.22 1.01 -1.26 -3.69 121.20 125.36 2q3s s ILE 131 Ca -0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 59.12 2q3s s ILE 131 Cb -0.16 -3.78 -0.17 0.00 0.01 0.00 0.00 42.46 38.36 2q3s s ILE 131 CO -0.08 -0.52 1.33 0.03 0.00 0.00 0.00 174.94 175.70 2q3s h ARG 132 N 8.53 -0.48 -2.77 2.79 3.08 -1.71 -3.28 114.38 120.54 2q3s h ARG 132 Ca -0.25 0.03 -0.71 0.00 0.07 0.00 0.00 59.98 59.12 2q3s h ARG 132 Cb 1.09 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 31.19 2q3s h ARG 132 CO 0.80 -0.19 2.96 -1.71 -1.07 0.00 0.00 179.97 180.76 2q3s n ASN 133 N -5.20 8.28 -4.86 7.04 4.05 -1.26 -4.92 115.26 118.39 2q3s n ASN 133 Ca -0.10 -2.93 -0.37 0.00 0.45 0.00 0.00 54.58 51.63 2q3s n ASN 133 Cb 0.27 -1.44 -0.06 0.00 1.23 0.00 0.00 39.78 39.78 2q3s n ASN 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2q3s s ALA 134 N 0.12 3.82 -0.07 5.20 0.00 -1.24 0.18 121.76 129.76 2q3s s ALA 134 Ca 0.60 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 2q3s s ALA 134 Cb 0.18 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 21.24 2q3s s ALA 134 CO -0.08 0.56 -0.03 -1.50 0.00 0.00 0.00 175.76 174.71 2q3s s ILE 135 N -0.96 0.57 -1.11 0.00 1.10 -1.10 -4.96 121.20 114.74 2q3s s ILE 135 Ca 0.17 -0.04 -0.17 0.00 -0.51 0.00 0.00 60.65 60.09 2q3s s ILE 135 Cb -0.13 -0.66 0.13 0.00 0.15 0.00 0.00 42.46 41.95 2q3s s ILE 135 CO 0.06 0.28 1.39 0.21 -2.11 0.00 0.00 174.94 174.77 2q3s s ASN 136 N 1.59 6.82 0.33 4.50 3.84 -1.26 -2.85 114.94 127.92 2q3s s ASN 136 Ca -0.00 -2.41 0.21 0.00 0.21 0.00 0.00 52.86 50.86 2q3s s ASN 136 Cb -0.13 -2.45 1.13 0.00 -0.55 0.00 0.00 41.25 39.25 2q3s s ASN 136 CO -0.04 -1.01 1.62 0.55 -2.79 0.00 0.00 177.10 175.43 2q3s n VAL 137 N 5.47 0.92 -0.10 -5.21 3.14 -0.09 -2.98 118.33 119.49 2q3s n VAL 137 Ca 0.34 0.75 -0.10 0.00 -2.96 0.00 0.00 64.34 62.38 2q3s n VAL 137 Cb 0.46 -1.75 0.05 0.00 -1.06 0.00 0.00 33.84 31.54 2q3s n VAL 137 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2q3s h GLY 138 N 0.00 0.90 1.48 7.55 0.00 -1.88 -2.95 103.07 108.17 2q3s h GLY 138 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 2q3s h GLY 138 CO 0.00 0.75 -0.20 1.70 0.00 0.00 0.00 176.54 178.80 2q3s h LYS 139 N 0.70 0.61 -0.52 4.80 3.64 -1.82 -1.50 116.57 122.49 2q3s h LYS 139 Ca 0.08 -0.22 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2q3s h LYS 139 Cb 0.84 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2q3s h LYS 139 CO 0.07 0.77 -0.11 1.25 -2.27 0.00 0.00 179.45 179.16 2q3s h LEU 140 N 0.54 0.96 -0.30 5.20 5.85 -1.72 -1.80 115.31 124.05 2q3s h LEU 140 Ca 0.08 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2q3s h LEU 140 Cb 0.64 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2q3s h LEU 140 CO 0.05 1.08 0.02 0.00 -0.34 0.00 0.00 178.44 179.24 2q3s h ALA 141 N 1.01 0.40 -0.43 1.25 0.00 -1.28 0.43 119.26 120.64 2q3s h ALA 141 Ca 0.14 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2q3s h ALA 141 Cb 0.66 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2q3s h ALA 141 CO 0.05 0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.67 2q3s h ALA 142 N 0.85 0.54 -0.21 0.00 0.00 -1.22 -0.22 119.26 118.99 2q3s h ALA 142 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2q3s h ALA 142 Cb 0.41 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2q3s h ALA 142 CO 0.01 -0.10 -0.29 0.93 0.00 0.00 0.00 179.25 179.81 2q3s h GLU 143 N 0.48 0.57 -0.04 0.00 5.08 -1.06 0.78 114.58 120.40 2q3s h GLU 143 Ca 0.18 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2q3s h GLU 143 Cb 0.04 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2q3s h GLU 143 CO -0.10 0.93 -0.18 0.00 -1.00 0.00 0.00 179.01 178.66 2q3s h ALA 144 N 0.63 -0.19 0.00 3.43 0.00 0.06 -2.94 119.26 120.25 2q3s h ALA 144 Ca 0.02 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2q3s h ALA 144 Cb 0.86 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2q3s h ALA 144 CO 0.07 -0.66 -0.74 0.00 0.00 0.00 0.00 179.25 177.92 2q3s h ARG 145 N -0.27 0.00 0.00 0.00 2.47 -1.04 -3.47 114.38 112.07 2q3s h ARG 145 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2q3s h ARG 145 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 2q3s h ARG 145 CO -0.20 0.74 0.00 0.41 0.56 0.00 0.00 179.97 181.48 2q3s n GLY 146 N 1.24 0.70 3.51 0.04 0.00 0.26 -5.02 105.19 105.92 2q3s n GLY 146 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2q3s n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q3s s THR 147 N -2.14 5.20 0.13 2.61 2.01 -0.49 -4.97 115.64 117.99 2q3s s THR 147 Ca 0.00 -0.28 -0.12 0.00 0.31 0.00 0.00 61.69 61.60 2q3s s THR 147 Cb 0.00 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2q3s s THR 147 CO 0.00 -0.21 1.50 -0.07 -0.69 0.00 0.00 174.62 175.15 2q3s h LEU 148 N 8.74 0.91 -1.12 4.42 3.38 -1.96 -3.19 115.31 126.49 2q3s h LEU 148 Ca -0.29 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2q3s h LEU 148 Cb 1.13 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2q3s h LEU 148 CO 0.71 1.14 0.00 0.55 0.09 0.00 0.00 178.44 180.94 2q3s n VAL 149 N -4.18 0.93 0.22 1.22 3.14 -1.26 -2.93 118.33 115.47 2q3s n VAL 149 Ca -0.02 0.50 0.05 0.00 -2.96 0.00 0.00 64.34 61.91 2q3s n VAL 149 Cb 0.47 -1.47 0.48 0.00 -1.06 0.00 0.00 33.84 32.25 2q3s n VAL 149 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2q3s h LEU 150 N 0.00 0.00 0.00 6.55 3.38 -1.88 -1.81 115.31 121.55 2q3s h LEU 150 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q3s h LEU 150 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2q3s h LEU 150 CO 0.00 0.24 0.00 1.21 0.09 0.00 0.00 178.44 179.98 2q3s n GLU 151 N -4.19 0.17 -0.36 1.13 2.13 -1.15 -3.43 120.64 114.95 2q3s n GLU 151 Ca -0.02 0.12 0.08 0.00 0.66 0.00 0.00 57.16 58.00 2q3s n GLU 151 Cb 0.30 -1.50 0.16 0.00 0.27 0.00 0.00 31.44 30.67 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 -1.37 0.00 -4.18 4.31 3.72 -0.68 -4.71 117.46 114.55 2q3s n PHE 152 Ca 0.08 -1.16 -0.31 0.00 -0.05 0.00 0.00 57.45 56.00 2q3s n PHE 152 Cb 0.19 -0.19 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 -2.84 3.52 0.00 4.37 1.43 -1.22 -5.12 118.68 118.82 2q3s s LEU 153 Ca 0.33 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.17 2q3s s LEU 153 Cb 0.31 -2.16 0.24 0.00 0.03 0.00 0.00 46.19 44.61 2q3s s LEU 153 CO -0.02 0.21 1.14 0.61 0.23 0.00 0.00 176.35 178.52 2q3s n GLY 154 N 0.87 -2.03 0.13 -3.19 0.00 -1.26 -4.68 105.19 95.03 2q3s n GLY 154 Ca -0.12 -1.61 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 2q3s n GLY 154 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2q3s h THR 155 N -2.11 0.78 -0.02 2.61 2.02 -1.99 0.41 112.91 114.61 2q3s h THR 155 Ca -0.39 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2q3s h THR 155 Cb 1.12 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2q3s h THR 155 CO 0.27 0.00 0.01 -0.09 0.37 0.00 0.00 175.52 176.08 2q3s h ARG 156 N -0.16 0.03 -0.47 6.66 1.12 -1.97 -1.88 114.38 117.72 2q3s h ARG 156 Ca 0.03 -0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 58.85 2q3s h ARG 156 Cb 0.19 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.12 2q3s h ARG 156 CO -0.07 0.13 0.13 1.49 -3.11 0.00 0.00 179.97 178.54 2q3s h GLU 157 N -0.07 0.74 0.64 0.20 4.57 -1.92 -1.65 114.58 117.08 2q3s h GLU 157 Ca 0.01 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 2q3s h GLU 157 Cb 0.11 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2q3s h GLU 157 CO -0.00 0.72 -0.36 1.25 -1.18 0.00 0.00 179.01 179.44 2q3s h LEU 158 N 0.62 -0.89 -1.90 1.64 5.85 -0.81 -0.93 115.31 118.90 2q3s h LEU 158 Ca 0.15 0.05 0.17 0.00 0.84 0.00 0.00 57.88 59.09 2q3s h LEU 158 Cb 0.30 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 2q3s h LEU 158 CO -0.00 -0.58 0.57 0.00 -0.34 0.00 0.00 178.44 178.09 2q3s h ALA 159 N -0.62 2.38 -0.05 1.25 0.00 -1.24 0.15 119.26 121.13 2q3s h ALA 159 Ca -0.08 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 2q3s h ALA 159 Cb 0.74 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.59 2q3s h ALA 159 CO 0.10 -0.87 -0.81 1.25 0.00 0.00 0.00 179.25 178.91 2q3s h HIS 160 N 0.00 0.91 -0.20 0.00 -0.00 -0.31 -1.91 115.15 113.65 2q3s h HIS 160 Ca 0.28 -0.46 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2q3s h HIS 160 Cb 1.42 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.71 2q3s h HIS 160 CO 0.00 1.29 0.00 0.54 -0.00 0.00 0.00 177.93 179.76 2q3s n ARG 161 N -4.01 1.54 0.00 5.26 5.12 0.45 -0.66 116.66 124.37 2q3s n ARG 161 Ca -0.10 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.07 2q3s n ARG 161 Cb 0.77 -1.22 0.00 0.00 -1.16 0.00 0.00 32.46 30.85 2q3s n ARG 161 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2q3s n VAL 162 N 0.11 0.00 -0.11 1.55 0.31 -0.79 -4.88 118.33 114.52 2q3s n VAL 162 Ca 0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2q3s n VAL 162 Cb 0.21 0.31 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 -0.72 0.20 -2.67 7.52 4.77 -0.72 -5.02 117.00 120.36 2q3s n LEU 163 Ca 0.00 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.41 2q3s n LEU 163 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2q3s n LEU 163 CO 0.00 0.05 -0.05 0.79 -1.33 0.00 0.00 177.39 176.85 2q3s n TRP 164 N -0.46 -1.02 -2.45 -1.77 7.02 0.17 -4.87 117.44 114.06 2q3s n TRP 164 Ca 0.00 0.23 -0.24 0.00 -1.02 0.00 0.00 57.50 56.47 2q3s n TRP 164 Cb 0.03 -0.94 0.10 0.00 -2.42 0.00 0.00 31.31 28.08 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 -1.90 4.42 -0.20 -0.99 1.04 -1.26 -5.03 113.70 109.77 2q3s s SER 165 Ca 0.28 -0.09 -0.28 0.00 0.48 0.00 0.00 55.95 56.35 2q3s s SER 165 Cb -0.16 -0.37 -0.00 0.00 0.10 0.00 0.00 66.02 65.58 2q3s s SER 165 CO 0.35 -1.81 0.96 -0.62 0.98 0.00 0.00 173.24 173.10 2q3s s ASP 166 N -4.67 7.05 -0.25 7.02 3.68 -1.26 -4.90 116.67 123.35 2q3s s ASP 166 Ca 0.65 1.31 0.11 0.00 2.13 0.00 0.00 52.55 56.74 2q3s s ASP 166 Cb -0.07 -2.51 0.46 0.00 -1.45 0.00 0.00 42.92 39.36 2q3s s ASP 166 CO 0.44 -0.56 1.36 0.18 0.13 0.00 0.00 175.17 176.72 2q3s n LEU 167 N 5.88 3.50 -0.08 -1.34 4.77 -1.26 -4.77 117.00 123.71 2q3s n LEU 167 Ca 0.09 -3.75 -0.11 0.00 -0.03 0.00 0.00 56.01 52.22 2q3s n LEU 167 Cb 0.47 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2q3s n LEU 167 CO 0.51 1.25 0.81 1.23 -1.33 0.00 0.00 177.39 179.85 2q3s h GLY 168 N 0.98 0.42 0.29 -0.72 0.00 -2.00 -2.91 103.07 99.13 2q3s h GLY 168 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2q3s h GLY 168 CO 0.22 0.26 -0.14 -1.61 0.00 0.00 0.00 176.54 175.26 2q3s h GLN 169 N 0.21 -0.38 -0.80 4.80 5.75 -2.01 -2.64 115.11 120.04 2q3s h GLN 169 Ca 0.07 0.03 0.24 0.00 -0.15 0.00 0.00 58.65 58.84 2q3s h GLN 169 Cb 0.31 0.09 -0.15 0.00 1.07 0.00 0.00 27.48 28.80 2q3s h GLN 169 CO 0.00 -0.25 0.09 -0.11 -2.65 0.00 0.00 178.83 175.91 2q3s n LEU 170 N -3.14 -0.03 0.17 -2.39 7.94 -1.25 0.70 117.00 119.00 2q3s n LEU 170 Ca -0.05 1.36 0.02 0.00 -1.11 0.00 0.00 56.01 56.22 2q3s n LEU 170 Cb 0.15 -0.52 0.31 0.00 0.53 0.00 0.00 43.42 43.90 2q3s n LEU 170 CO 0.12 -1.40 0.68 0.44 -1.11 0.00 0.00 177.39 176.11 2q3s h ASP 171 N 0.00 0.01 0.78 1.96 3.32 -1.40 -0.26 116.42 120.82 2q3s h ASP 171 Ca 0.52 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.49 2q3s h ASP 171 Cb 1.14 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2q3s h ASP 171 CO -0.73 0.43 -0.38 0.77 -1.72 0.00 0.00 179.24 177.61 2q3s h SER 172 N 0.01 0.00 0.00 6.45 4.64 0.64 0.29 113.55 125.58 2q3s h SER 172 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2q3s h SER 172 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2q3s h SER 172 CO 0.06 0.38 -0.39 0.40 -0.87 0.00 0.00 176.83 176.41 2q3s h ILE 173 N 0.00 1.17 -0.89 0.95 2.04 -1.31 -3.32 117.51 116.15 2q3s h ILE 173 Ca -0.00 -2.01 0.14 0.00 1.00 0.00 0.00 64.86 63.98 2q3s h ILE 173 Cb 0.88 2.34 -0.07 0.00 -0.74 0.00 0.00 36.82 39.23 2q3s h ILE 173 CO 0.05 0.40 0.58 -0.33 0.00 0.00 0.00 178.15 178.84 2q3s h GLU 174 N -1.00 0.68 -0.03 2.37 5.08 -1.03 0.31 114.58 120.96 2q3s h GLU 174 Ca -0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 2q3s h GLU 174 Cb 0.91 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2q3s h GLU 174 CO -0.06 0.45 -0.19 0.00 -1.00 0.00 0.00 179.01 178.21 2q3s h ALA 175 N 1.60 1.63 -0.16 3.43 0.00 -1.07 -2.98 119.26 121.71 2q3s h ALA 175 Ca 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2q3s h ALA 175 Cb 0.71 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2q3s h ALA 175 CO -0.21 0.27 0.00 0.36 0.00 0.00 0.00 179.25 179.68 2q3s n LYS 176 N -4.29 2.49 0.00 0.00 2.85 0.04 -4.92 118.16 114.34 2q3s n LYS 176 Ca -0.02 -2.31 0.00 0.00 -1.05 0.00 0.00 58.31 54.93 2q3s n LYS 176 Cb 0.26 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 33.20 2q3s n LYS 176 CO 0.00 0.00 0.00 1.87 -0.05 0.00 0.00 177.40 179.22 2q3s n TRP 177 N -0.52 0.00 -0.10 5.58 -0.00 0.89 0.83 117.44 124.11 2q3s n TRP 177 Ca 0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.55 2q3s n TRP 177 Cb 0.59 -0.02 -0.06 0.00 -0.00 0.00 0.00 31.31 31.82 2q3s n TRP 177 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 2q3s h GLU 178 N 0.00 -0.23 0.00 5.87 9.09 -1.89 -1.73 114.58 125.69 2q3s h GLU 178 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2q3s h GLU 178 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 2q3s h GLU 178 CO 0.00 -0.15 0.00 0.87 0.05 0.00 0.00 179.01 179.78 2q3s h LYS 179 N -0.23 0.00 -6.91 1.06 1.57 -0.86 -3.43 116.57 107.76 2q3s h LYS 179 Ca 0.05 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.31 2q3s h LYS 179 Cb 0.37 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.75 2q3s h LYS 179 CO -0.40 0.00 0.59 0.00 -0.57 0.00 0.00 179.45 179.08 2q3s s ALA 180 N -3.72 3.34 0.95 3.86 0.00 0.24 -4.99 121.76 121.45 2q3s s ALA 180 Ca -0.00 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 2q3s s ALA 180 Cb 0.10 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 19.93 2q3s s ALA 180 CO 0.43 -0.66 1.09 0.20 0.00 0.00 0.00 175.76 176.82 2q3s s GLY 181 N -0.72 1.61 0.22 0.00 0.00 -1.26 -4.77 107.32 102.41 2q3s s GLY 181 Ca 0.53 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 45.21 2q3s s GLY 181 CO 0.48 0.56 1.85 -0.56 0.00 0.00 0.00 173.10 175.43 2q3s h PRO 182 N -1.83 0.87 -1.00 2.90 0.13 -1.94 -0.84 132.00 130.31 2q3s h PRO 182 Ca -0.51 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2q3s h PRO 182 Cb 1.29 -0.20 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 2q3s h PRO 182 CO 0.51 0.58 0.65 1.49 -0.23 0.00 0.00 178.00 181.00 2q3s h GLU 183 N 0.90 1.20 0.00 0.86 4.57 -2.00 -0.52 114.58 119.60 2q3s h GLU 183 Ca 0.33 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.35 2q3s h GLU 183 Cb 0.10 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 2q3s h GLU 183 CO -0.15 0.80 -0.41 0.93 -1.18 0.00 0.00 179.01 179.00 2q3s h GLU 184 N 1.24 0.00 0.00 1.92 5.08 -1.61 -1.39 114.58 119.82 2q3s h GLU 184 Ca 0.40 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2q3s h GLU 184 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2q3s h GLU 184 CO -0.13 0.41 -0.31 1.96 -1.00 0.00 0.00 179.01 179.94 2q3s h GLN 185 N 0.00 0.00 0.24 2.33 4.20 -0.04 -2.68 115.11 119.16 2q3s h GLN 185 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2q3s h GLN 185 Cb 0.86 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2q3s h GLN 185 CO 0.05 0.31 -0.12 1.25 -0.67 0.00 0.00 178.83 179.66 2q3s h LEU 186 N 0.00 -0.27 -0.93 1.46 5.85 -0.08 -2.04 115.31 119.30 2q3s h LEU 186 Ca -0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 2q3s h LEU 186 Cb 0.90 0.07 -0.14 0.00 0.37 0.00 0.00 40.66 41.87 2q3s h LEU 186 CO 0.04 -0.12 -0.43 1.21 -0.34 0.00 0.00 178.44 178.81 2q3s n GLU 187 N -3.31 -0.28 -0.21 1.25 2.13 -0.78 0.83 120.64 120.27 2q3s n GLU 187 Ca -0.04 1.42 0.01 0.00 0.66 0.00 0.00 57.16 59.21 2q3s n GLU 187 Cb 0.13 -2.10 0.12 0.00 0.27 0.00 0.00 31.44 29.86 2q3s n GLU 187 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2q3s h ALA 188 N 1.00 0.77 -0.05 4.31 0.00 -1.53 1.66 119.26 125.42 2q3s h ALA 188 Ca 0.26 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2q3s h ALA 188 Cb 0.49 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2q3s h ALA 188 CO -0.90 -0.27 -0.00 0.00 0.00 0.00 0.00 179.25 178.07 2q3s h ALA 189 N 1.47 0.07 -0.30 0.00 0.00 0.11 0.69 119.26 121.29 2q3s h ALA 189 Ca 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2q3s h ALA 189 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2q3s h ALA 189 CO -0.38 -0.25 0.18 0.00 0.00 0.00 0.00 179.25 178.80 2q3s h ALA 190 N 0.70 1.75 -0.02 0.00 0.00 0.15 -0.51 119.26 121.32 2q3s h ALA 190 Ca 0.01 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2q3s h ALA 190 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2q3s h ALA 190 CO 0.00 0.22 -0.53 0.82 0.00 0.00 0.00 179.25 179.76 2q3s h ILE 191 N 0.42 1.38 -0.58 0.00 2.04 0.27 -3.19 117.51 117.84 2q3s h ILE 191 Ca 0.11 -1.82 -0.08 0.00 1.00 0.00 0.00 64.86 64.06 2q3s h ILE 191 Cb -0.02 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 2q3s h ILE 191 CO -0.02 0.53 0.03 -0.33 0.00 0.00 0.00 178.15 178.35 2q3s h GLU 192 N 0.05 0.99 -0.47 2.37 5.08 0.82 -2.82 114.58 120.60 2q3s h GLU 192 Ca -0.00 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 2q3s h GLU 192 Cb 0.95 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 2q3s h GLU 192 CO 0.07 0.96 0.02 0.78 -1.00 0.00 0.00 179.01 179.84 2q3s h GLY 193 N 1.01 0.88 0.83 -3.84 0.00 -1.49 -2.32 103.07 98.14 2q3s h GLY 193 Ca 0.17 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2q3s h GLY 193 CO 0.02 0.58 -0.00 -0.25 0.00 0.00 0.00 176.54 176.89 2q3s h TRP 194 N 0.67 -0.01 -1.00 5.60 7.01 -1.57 1.94 115.95 128.58 2q3s h TRP 194 Ca 0.13 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.23 2q3s h TRP 194 Cb 0.48 0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 27.47 2q3s h TRP 194 CO 0.04 0.17 0.64 -0.07 -2.79 0.00 0.00 178.44 176.43 2q3s h LEU 195 N -0.18 0.98 0.08 0.65 3.38 -1.54 0.14 115.31 118.83 2q3s h LEU 195 Ca -0.00 0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.72 2q3s h LEU 195 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2q3s h LEU 195 CO 0.00 0.58 -1.41 0.40 0.09 0.00 0.00 178.44 178.10 2q3s h ILE 196 N 1.09 1.27 -0.80 1.22 1.08 -1.10 -2.11 117.51 118.15 2q3s h ILE 196 Ca 0.47 -2.94 0.10 0.00 -0.39 0.00 0.00 64.86 62.09 2q3s h ILE 196 Cb 0.33 2.76 -0.07 0.00 -3.07 0.00 0.00 36.82 36.76 2q3s h ILE 196 CO -0.22 0.82 0.45 0.58 -0.69 0.00 0.00 178.15 179.08 2q3s h VAL 197 N 0.05 0.88 -0.39 1.67 2.07 0.36 0.23 116.25 121.11 2q3s h VAL 197 Ca -0.19 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 2q3s h VAL 197 Cb 1.96 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2q3s h VAL 197 CO 0.15 0.13 -0.11 0.78 0.02 0.00 0.00 177.57 178.55 2q3s h ASN 198 N 0.74 0.68 -0.41 0.57 2.35 -0.73 -0.80 115.58 117.98 2q3s h ASN 198 Ca 0.39 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2q3s h ASN 198 Cb 0.39 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2q3s h ASN 198 CO -0.26 0.82 0.23 0.58 -1.65 0.00 0.00 177.43 177.15 2q3s h VAL 199 N 0.63 1.03 0.33 2.81 2.07 -0.30 0.34 116.25 123.17 2q3s h VAL 199 Ca 0.11 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2q3s h VAL 199 Cb 0.55 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2q3s h VAL 199 CO 0.03 0.09 -0.16 -0.25 0.02 0.00 0.00 177.57 177.30 2q3s h TRP 200 N 0.47 -0.42 -0.75 1.57 2.91 -1.00 -2.02 115.95 116.72 2q3s h TRP 200 Ca 0.17 -0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.29 2q3s h TRP 200 Cb 0.02 0.14 -0.13 0.00 -0.51 0.00 0.00 29.16 28.68 2q3s h TRP 200 CO -0.08 -0.08 -0.38 -0.44 -1.03 0.00 0.00 178.44 176.43 2q3s h ASP 201 N -0.83 -1.36 0.00 2.65 5.19 -1.05 0.82 116.42 121.85 2q3s h ASP 201 Ca -0.05 0.27 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2q3s h ASP 201 Cb 0.52 0.68 0.00 0.00 0.18 0.00 0.00 39.33 40.71 2q3s h ASP 201 CO 0.08 -0.30 0.00 0.00 -3.12 0.00 0.00 179.24 175.89 2q3s n GLN 202 N -5.44 0.00 -0.17 3.56 6.02 0.10 -2.96 117.38 118.50 2q3s n GLN 202 Ca 0.06 0.02 0.16 0.00 -0.01 0.00 0.00 57.00 57.23 2q3s n GLN 202 Cb 0.37 -0.59 0.29 0.00 1.02 0.00 0.00 30.24 31.33 2q3s n GLN 202 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2q3s n LEU 203 N -0.10 0.16 -0.21 1.08 4.77 -0.76 0.73 117.00 122.67 2q3s n LEU 203 Ca 0.00 0.78 0.01 0.00 -0.03 0.00 0.00 56.01 56.77 2q3s n LEU 203 Cb 0.00 -0.38 0.26 0.00 -2.33 0.00 0.00 43.42 40.97 2q3s n LEU 203 CO 0.00 -0.87 1.24 -1.28 -1.33 0.00 0.00 177.39 175.15 2q3s h SER 204 N 0.00 0.84 0.00 -1.43 0.87 0.79 -3.33 113.55 111.28 2q3s h SER 204 Ca 0.41 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2q3s h SER 204 Cb 1.13 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2q3s h SER 204 CO -0.35 0.60 -0.02 -0.90 -0.53 0.00 0.00 176.83 175.64 2q3s n ASP 205 N -4.43 0.98 0.00 6.23 5.68 0.23 -5.09 116.55 120.15 2q3s n ASP 205 Ca 0.08 -1.55 0.07 0.00 -0.50 0.00 0.00 54.79 52.89 2q3s n ASP 205 Cb 0.05 -0.02 0.42 0.00 -1.14 0.00 0.00 41.12 40.42 2q3s n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03