#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7y n VAL 2 N 0.00 0.28 0.89 -1.45 0.24 -1.26 -3.88 118.33 113.14 1q7y n VAL 2 Ca 0.00 -0.40 0.09 0.00 -2.04 0.00 0.00 64.34 61.99 1q7y n VAL 2 Cb 0.00 -0.02 -0.09 0.00 -1.47 0.00 0.00 33.84 32.26 1q7y n VAL 2 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1q7y n TYR 3 N -2.27 0.00 -3.03 6.34 0.18 -1.26 -4.86 117.16 112.26 1q7y n TYR 3 Ca -0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 1q7y n TYR 3 Cb 0.51 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.41 1q7y n TYR 3 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1q7y s VAL 4 N -2.71 4.70 -2.20 -3.48 1.01 -1.25 -4.88 120.40 111.59 1q7y s VAL 4 Ca 0.08 0.04 0.19 0.00 0.00 0.00 0.00 61.98 62.29 1q7y s VAL 4 Cb 0.14 -4.34 0.23 0.00 0.00 0.00 0.00 36.38 32.42 1q7y s VAL 4 CO 0.74 -0.81 1.18 0.47 0.00 0.00 0.00 175.10 176.67 1q7y n ASP 5 N 6.62 2.81 -3.63 3.32 8.00 -1.26 -4.81 116.55 127.60 1q7y n ASP 5 Ca -0.01 -1.84 -0.15 0.00 0.71 0.00 0.00 54.79 53.50 1q7y n ASP 5 Cb 0.47 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.41 1q7y n ASP 5 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1q7y s PHE 6 N -1.46 -0.60 -0.17 1.24 -0.12 -1.26 -5.12 117.98 110.49 1q7y s PHE 6 Ca 0.26 1.29 -0.11 0.00 -0.05 0.00 0.00 56.93 58.33 1q7y s PHE 6 Cb 0.17 0.27 -0.05 0.00 -0.63 0.00 0.00 43.02 42.78 1q7y s PHE 6 CO 0.24 -0.42 0.18 0.34 -0.05 0.00 0.00 175.22 175.51 1q7y s ASP 7 N -0.38 6.30 -0.52 1.98 2.15 -1.26 -4.97 116.67 119.97 1q7y s ASP 7 Ca -0.05 0.35 -0.20 0.00 0.43 0.00 0.00 52.55 53.08 1q7y s ASP 7 Cb -0.03 -2.11 0.06 0.00 -0.30 0.00 0.00 42.92 40.54 1q7y s ASP 7 CO 0.04 0.20 0.67 -0.69 -0.17 0.00 0.00 175.17 175.22 1q7y s VAL 8 N 0.15 4.82 0.51 1.11 1.01 -1.26 -5.06 120.40 121.68 1q7y s VAL 8 Ca 0.11 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1q7y s VAL 8 Cb -0.12 -4.34 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 1q7y s VAL 8 CO 0.01 -0.87 0.53 -2.65 0.00 0.00 0.00 175.10 172.12 1q7y n PRO 9 N 6.32 0.56 -0.22 2.72 -0.02 -1.26 -4.72 135.00 138.38 1q7y n PRO 9 Ca -0.06 0.21 -0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1q7y n PRO 9 Cb 0.45 -1.62 0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1q7y n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q7y h ALA 10 N 0.49 0.39 -0.22 3.55 0.00 -2.00 -2.27 119.26 119.20 1q7y h ALA 10 Ca -0.44 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1q7y h ALA 10 Cb 1.40 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1q7y h ALA 10 CO 0.49 -0.45 0.14 -0.44 0.00 0.00 0.00 179.25 179.00 1q7y h ASP 11 N -0.02 0.25 -0.44 0.00 3.32 -2.00 -2.10 116.42 115.43 1q7y h ASP 11 Ca 0.31 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.44 1q7y h ASP 11 Cb 0.49 -0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.90 1q7y h ASP 11 CO -0.68 0.19 -0.09 0.25 -1.72 0.00 0.00 179.24 177.18 1q7y h LEU 12 N 0.30 -0.37 -0.60 1.55 6.46 -1.77 -0.58 115.31 120.30 1q7y h LEU 12 Ca 0.08 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 1q7y h LEU 12 Cb -0.03 0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 40.09 1q7y h LEU 12 CO -0.02 -0.13 0.25 -0.08 -0.62 0.00 0.00 178.44 177.84 1q7y h GLU 13 N 0.02 0.43 0.60 1.25 4.81 -1.24 -1.22 114.58 119.23 1q7y h GLU 13 Ca 0.21 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1q7y h GLU 13 Cb 0.32 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1q7y h GLU 13 CO -0.43 0.29 -0.47 -0.44 -0.73 0.00 0.00 179.01 177.23 1q7y h ASP 14 N 0.45 -1.23 -1.01 1.04 3.32 -0.44 0.20 116.42 118.74 1q7y h ASP 14 Ca 0.29 0.08 0.28 0.00 0.02 0.00 0.00 57.03 57.70 1q7y h ASP 14 Cb 0.32 0.38 -0.13 0.00 0.22 0.00 0.00 39.33 40.13 1q7y h ASP 14 CO -0.27 -0.66 0.59 0.44 -1.72 0.00 0.00 179.24 177.62 1q7y h ASP 15 N -1.03 0.61 0.18 6.45 3.32 -1.08 0.25 116.42 125.11 1q7y h ASP 15 Ca -0.08 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1q7y h ASP 15 Cb 0.85 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1q7y h ASP 15 CO 0.02 0.01 -0.08 0.00 -1.72 0.00 0.00 179.24 177.46 1q7y h ALA 16 N 1.77 -0.24 -0.80 3.45 0.00 -0.55 0.12 119.26 123.00 1q7y h ALA 16 Ca 0.68 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.44 1q7y h ALA 16 Cb 1.42 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.26 1q7y h ALA 16 CO -0.52 -0.56 0.36 -0.07 0.00 0.00 0.00 179.25 178.47 1q7y h LEU 17 N -0.39 1.07 -0.45 0.00 3.38 0.15 -0.88 115.31 118.20 1q7y h LEU 17 Ca -0.02 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1q7y h LEU 17 Cb 0.30 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1q7y h LEU 17 CO 0.04 0.92 0.28 -0.33 0.09 0.00 0.00 178.44 179.44 1q7y h GLU 18 N 1.15 0.55 -0.50 1.13 5.08 -0.53 -0.79 114.58 120.66 1q7y h GLU 18 Ca 0.27 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1q7y h GLU 18 Cb 0.15 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1q7y h GLU 18 CO -0.03 0.36 0.30 0.00 -1.00 0.00 0.00 179.01 178.64 1q7y h ALA 19 N 1.18 1.57 -0.28 3.43 0.00 -0.25 -2.63 119.26 122.29 1q7y h ALA 19 Ca 0.17 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1q7y h ALA 19 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1q7y h ALA 19 CO -0.06 0.37 -0.28 1.25 0.00 0.00 0.00 179.25 180.52 1q7y h LEU 20 N 0.69 0.59 -0.65 0.00 5.85 0.22 -1.92 115.31 120.09 1q7y h LEU 20 Ca 0.18 -0.22 -0.15 0.00 0.84 0.00 0.00 57.88 58.54 1q7y h LEU 20 Cb -0.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1q7y h LEU 20 CO -0.03 0.85 -0.65 -0.33 -0.34 0.00 0.00 178.44 177.93 1q7y h GLU 21 N 0.50 0.12 0.00 1.25 5.08 -0.95 -2.09 114.58 118.49 1q7y h GLU 21 Ca 0.06 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1q7y h GLU 21 Cb 0.75 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1q7y h GLU 21 CO 0.06 0.72 -0.35 -0.39 -1.00 0.00 0.00 179.01 178.05 1q7y h VAL 22 N 0.08 0.62 -0.18 3.13 -1.51 -1.39 -3.01 116.25 114.00 1q7y h VAL 22 Ca -0.01 -1.78 -0.07 0.00 -1.23 0.00 0.00 66.70 63.60 1q7y h VAL 22 Cb 1.16 2.23 -0.00 0.00 -2.13 0.00 0.00 31.29 32.55 1q7y h VAL 22 CO 0.09 0.34 -0.18 0.00 -1.23 0.00 0.00 177.57 176.60 1q7y h ALA 23 N 1.65 0.26 -0.08 5.19 0.00 -1.04 0.39 119.26 125.64 1q7y h ALA 23 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1q7y h ALA 23 Cb 1.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1q7y h ALA 23 CO 0.05 0.17 -0.21 0.07 0.00 0.00 0.00 179.25 179.33 1q7y h ARG 24 N 0.09 0.13 0.12 0.00 0.11 -1.36 0.56 114.38 114.03 1q7y h ARG 24 Ca 0.03 -0.03 -0.29 0.00 0.10 0.00 0.00 59.98 59.78 1q7y h ARG 24 Cb 0.72 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.78 1q7y h ARG 24 CO 0.04 0.34 -1.51 -0.44 0.10 0.00 0.00 179.97 178.50 1q7y h ASP 25 N 0.12 0.38 0.14 0.08 3.32 -1.42 -3.41 116.42 115.63 1q7y h ASP 25 Ca 0.02 -0.85 -0.34 0.00 0.02 0.00 0.00 57.03 55.88 1q7y h ASP 25 Cb 0.44 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1q7y h ASP 25 CO 0.03 1.66 -1.78 0.74 -1.72 0.00 0.00 179.24 178.17 1q7y h THR 26 N -0.26 0.81 -0.08 0.35 2.02 -0.18 -3.49 112.91 112.08 1q7y h THR 26 Ca -0.33 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.46 1q7y h THR 26 Cb 1.80 2.61 0.00 0.00 -1.74 0.00 0.00 68.15 70.82 1q7y h THR 26 CO 0.06 0.83 0.00 0.61 0.37 0.00 0.00 175.52 177.38 1q7y n GLY 27 N 1.88 4.89 3.22 2.16 0.00 0.20 -4.63 105.19 112.90 1q7y n GLY 27 Ca -0.28 -1.63 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 1q7y n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7y s ALA 28 N -2.09 1.62 0.00 4.61 0.00 -0.59 -4.53 121.76 120.77 1q7y s ALA 28 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 1q7y s ALA 28 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1q7y s ALA 28 CO 0.00 0.37 0.02 0.14 0.00 0.00 0.00 175.76 176.29 1q7y s VAL 29 N -0.69 0.06 -0.19 0.00 -7.23 -1.26 0.05 120.40 111.13 1q7y s VAL 29 Ca 0.07 -0.48 -0.05 0.00 -1.81 0.00 0.00 61.98 59.71 1q7y s VAL 29 Cb -0.08 -0.19 -0.02 0.00 0.56 0.00 0.00 36.38 36.64 1q7y s VAL 29 CO 0.01 -0.27 -0.01 -0.54 -0.31 0.00 0.00 175.10 173.99 1q7y s LYS 30 N -0.80 3.62 -0.13 4.82 -0.14 0.35 -4.86 119.74 122.61 1q7y s LYS 30 Ca -0.09 -0.52 -0.01 0.00 -1.36 0.00 0.00 55.97 53.99 1q7y s LYS 30 Cb -0.05 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 1q7y s LYS 30 CO -0.00 0.05 -0.11 0.15 -0.76 0.00 0.00 175.35 174.68 1q7y s LYS 31 N 0.89 3.35 0.00 1.68 1.02 -1.26 0.34 119.74 125.75 1q7y s LYS 31 Ca 0.01 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1q7y s LYS 31 Cb -0.14 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1q7y s LYS 31 CO 0.02 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 1q7y n GLY 32 N 3.35 2.66 0.34 -3.33 0.00 -0.99 -4.69 105.19 102.52 1q7y n GLY 32 Ca -0.18 -1.41 0.18 0.00 0.00 0.00 0.00 46.02 44.61 1q7y n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1q7y h THR 33 N 0.00 0.27 0.00 2.61 2.02 -1.95 -1.77 112.91 114.09 1q7y h THR 33 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1q7y h THR 33 Cb 0.00 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1q7y h THR 33 CO 0.00 0.00 -0.34 -1.13 0.37 0.00 0.00 175.52 174.42 1q7y h ASN 34 N 0.00 0.00 -0.23 4.18 -1.24 -1.94 -2.87 115.58 113.48 1q7y h ASN 34 Ca 0.06 -0.65 0.06 0.00 0.71 0.00 0.00 56.30 56.47 1q7y h ASN 34 Cb 0.47 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.45 1q7y h ASN 34 CO -0.00 1.02 -0.27 -0.33 -1.29 0.00 0.00 177.43 176.56 1q7y h GLU 35 N -1.00 -0.27 -0.75 6.67 5.08 -1.76 -0.52 114.58 122.04 1q7y h GLU 35 Ca -0.08 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.45 1q7y h GLU 35 Cb 0.88 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.09 1q7y h GLU 35 CO -0.05 -0.18 0.25 1.15 -1.00 0.00 0.00 179.01 179.18 1q7y h THR 36 N -0.28 0.59 -0.64 1.13 2.02 -1.48 0.22 112.91 114.47 1q7y h THR 36 Ca 0.13 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.22 1q7y h THR 36 Cb 0.49 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1q7y h THR 36 CO -0.39 0.07 0.38 0.74 0.37 0.00 0.00 175.52 176.69 1q7y h THR 37 N 0.36 1.05 0.00 3.16 2.02 -1.00 -1.54 112.91 116.97 1q7y h THR 37 Ca 0.42 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1q7y h THR 37 Cb 0.68 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1q7y h THR 37 CO -0.45 0.14 -0.07 0.11 0.37 0.00 0.00 175.52 175.61 1q7y h LYS 38 N 0.74 0.00 -0.02 6.66 1.57 0.93 -1.79 116.57 124.66 1q7y h LYS 38 Ca 0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1q7y h LYS 38 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1q7y h LYS 38 CO -0.12 0.07 -0.04 0.77 -0.57 0.00 0.00 179.45 179.56 1q7y h SER 39 N 0.00 0.07 -0.68 0.86 0.02 -0.61 -1.01 113.55 112.21 1q7y h SER 39 Ca -0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.42 1q7y h SER 39 Cb 0.38 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 1q7y h SER 39 CO 0.01 0.59 0.44 0.40 -1.14 0.00 0.00 176.83 177.13 1q7y h ILE 40 N -0.44 1.18 -0.08 3.27 2.04 -0.97 0.28 117.51 122.79 1q7y h ILE 40 Ca 0.00 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1q7y h ILE 40 Cb 0.58 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1q7y h ILE 40 CO 0.01 0.18 -0.07 -0.33 0.00 0.00 0.00 178.15 177.94 1q7y h GLU 41 N 0.92 0.19 0.00 2.37 5.08 -1.38 -3.05 114.58 118.71 1q7y h GLU 41 Ca 0.25 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1q7y h GLU 41 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1q7y h GLU 41 CO -0.05 0.61 0.00 0.00 -1.00 0.00 0.00 179.01 178.57 1q7y h ARG 42 N -0.22 0.00 0.00 2.33 3.08 -1.05 -3.46 114.38 115.05 1q7y h ARG 42 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1q7y h ARG 42 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1q7y h ARG 42 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1q7y n GLY 43 N 0.04 1.02 0.07 0.04 0.00 0.88 -4.90 105.19 102.34 1q7y n GLY 43 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1q7y n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q7y n SER 44 N 0.00 0.18 -4.72 1.61 3.41 -0.52 -4.80 113.62 108.78 1q7y n SER 44 Ca 0.00 -2.00 -0.35 0.00 -0.26 0.00 0.00 58.87 56.26 1q7y n SER 44 Cb 0.00 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 1q7y n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q7y s ALA 45 N -1.90 3.67 -0.23 7.33 0.00 -1.16 -4.29 121.76 125.17 1q7y s ALA 45 Ca 0.01 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 1q7y s ALA 45 Cb 0.01 -2.15 -0.11 0.00 0.00 0.00 0.00 23.12 20.88 1q7y s ALA 45 CO 0.01 0.17 -0.27 0.39 0.00 0.00 0.00 175.76 176.05 1q7y n GLU 46 N 3.51 0.56 -4.05 0.00 1.02 -0.90 -4.79 120.64 115.99 1q7y n GLU 46 Ca -0.16 0.30 -0.21 0.00 -0.02 0.00 0.00 57.16 57.07 1q7y n GLU 46 Cb 0.52 -1.52 -0.17 0.00 -0.02 0.00 0.00 31.44 30.25 1q7y n GLU 46 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1q7y s LEU 47 N -7.72 1.13 -0.09 -4.62 2.96 -1.19 -3.17 118.68 105.98 1q7y s LEU 47 Ca -0.33 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1q7y s LEU 47 Cb 0.10 -0.46 -0.02 0.00 0.50 0.00 0.00 46.19 46.30 1q7y s LEU 47 CO 0.47 -0.09 -0.10 0.68 -1.32 0.00 0.00 176.35 175.98 1q7y s VAL 48 N 1.22 3.37 -0.21 1.68 -7.23 -0.23 0.18 120.40 119.18 1q7y s VAL 48 Ca -0.06 -0.58 -0.08 0.00 -1.81 0.00 0.00 61.98 59.45 1q7y s VAL 48 Cb -0.14 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1q7y s VAL 48 CO -0.02 0.56 0.09 -0.36 -0.31 0.00 0.00 175.10 175.06 1q7y s PHE 49 N -0.27 3.23 -0.14 2.82 0.40 0.31 -0.89 117.98 123.45 1q7y s PHE 49 Ca 0.03 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.38 1q7y s PHE 49 Cb -0.13 -2.17 0.02 0.00 0.51 0.00 0.00 43.02 41.25 1q7y s PHE 49 CO 0.03 0.02 -0.17 0.08 0.70 0.00 0.00 175.22 175.88 1q7y s VAL 50 N 0.84 1.70 0.62 -0.44 1.01 -0.78 0.10 120.40 123.44 1q7y s VAL 50 Ca 0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1q7y s VAL 50 Cb -0.13 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 1q7y s VAL 50 CO 0.02 0.48 1.11 0.00 0.00 0.00 0.00 175.10 176.72 1q7y s ALA 51 N 1.17 2.56 -1.05 5.51 0.00 0.30 -0.11 121.76 130.14 1q7y s ALA 51 Ca -0.01 0.62 0.09 0.00 0.00 0.00 0.00 51.96 52.66 1q7y s ALA 51 Cb -0.14 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.70 1q7y s ALA 51 CO -0.06 -1.08 0.73 0.39 0.00 0.00 0.00 175.76 175.73 1q7y n GLU 52 N -2.04 0.97 -1.05 0.00 1.02 0.33 -4.44 120.64 115.43 1q7y n GLU 52 Ca 0.11 -0.89 -0.11 0.00 -0.02 0.00 0.00 57.16 56.25 1q7y n GLU 52 Cb 0.52 -1.13 0.16 0.00 -0.02 0.00 0.00 31.44 30.97 1q7y n GLU 52 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1q7y n ASP 53 N 0.25 3.31 -4.65 1.62 5.75 -1.19 -4.54 116.55 117.10 1q7y n ASP 53 Ca 0.05 -3.79 -0.40 0.00 -0.01 0.00 0.00 54.79 50.64 1q7y n ASP 53 Cb 0.22 -0.64 -0.06 0.00 -1.03 0.00 0.00 41.12 39.61 1q7y n ASP 53 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1q7y s VAL 54 N -3.58 4.98 -0.06 2.12 1.01 -1.26 -4.89 120.40 118.71 1q7y s VAL 54 Ca 0.48 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 1q7y s VAL 54 Cb 0.42 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.86 1q7y s VAL 54 CO 0.01 0.06 0.01 -1.58 0.00 0.00 0.00 175.10 173.60 1q7y s GLN 55 N 2.20 0.49 0.30 2.72 -0.44 -1.26 -3.21 119.66 120.45 1q7y s GLN 55 Ca 0.29 0.15 -0.29 0.00 -2.50 0.00 0.00 55.36 53.01 1q7y s GLN 55 Cb -0.16 -0.88 -0.10 0.00 -1.64 0.00 0.00 33.01 30.24 1q7y s GLN 55 CO 0.10 -0.30 1.17 -1.25 0.50 0.00 0.00 175.29 175.50 1q7y s PRO 56 N 1.96 4.53 0.33 1.67 0.05 -1.26 -5.09 135.00 137.19 1q7y s PRO 56 Ca 0.04 1.94 0.15 0.00 0.05 0.00 0.00 61.00 63.18 1q7y s PRO 56 Cb -0.12 -3.13 0.81 0.00 0.05 0.00 0.00 34.50 32.11 1q7y s PRO 56 CO -0.05 0.07 1.38 0.39 0.05 0.00 0.00 177.00 178.84 1q7y n GLU 57 N 1.03 0.10 0.11 4.56 1.02 -1.20 -1.79 120.64 124.47 1q7y n GLU 57 Ca -0.01 0.58 0.02 0.00 -0.02 0.00 0.00 57.16 57.74 1q7y n GLU 57 Cb 0.44 -2.07 0.38 0.00 -0.02 0.00 0.00 31.44 30.17 1q7y n GLU 57 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1q7y h GLU 58 N 0.00 0.26 -0.01 3.49 3.07 -1.98 -1.62 114.58 117.79 1q7y h GLU 58 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1q7y h GLU 58 Cb 0.47 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1q7y h GLU 58 CO 0.00 0.39 0.02 0.82 -1.40 0.00 0.00 179.01 178.84 1q7y h ILE 59 N 0.25 0.33 0.00 3.13 2.04 -1.74 -3.23 117.51 118.29 1q7y h ILE 59 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1q7y h ILE 59 Cb 0.37 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1q7y h ILE 59 CO 0.02 0.00 -0.60 0.52 0.00 0.00 0.00 178.15 178.09 1q7y n VAL 60 N -3.55 0.00 -0.33 1.67 0.31 -1.11 -4.82 118.33 110.49 1q7y n VAL 60 Ca -0.03 -0.07 0.29 0.00 -0.01 0.00 0.00 64.34 64.52 1q7y n VAL 60 Cb 0.10 0.50 0.51 0.00 -0.91 0.00 0.00 33.84 34.03 1q7y n VAL 60 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1q7y n MET 61 N -1.05 -0.03 0.06 5.55 2.81 -0.63 -0.64 117.12 123.20 1q7y n MET 61 Ca 0.00 0.99 -0.08 0.00 -1.81 0.00 0.00 57.70 56.81 1q7y n MET 61 Cb 0.00 -1.91 -0.12 0.00 -0.71 0.00 0.00 33.22 30.48 1q7y n MET 61 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1q7y h HIS 62 N 0.00 0.04 -0.99 2.03 2.07 -1.88 -3.39 115.15 113.03 1q7y h HIS 62 Ca 0.67 -0.03 0.11 0.00 -2.85 0.00 0.00 60.37 58.28 1q7y h HIS 62 Cb 2.07 -0.00 -0.14 0.00 2.57 0.00 0.00 27.41 31.92 1q7y h HIS 62 CO -0.01 1.02 -0.51 -0.89 -3.07 0.00 0.00 177.93 174.48 1q7y n ILE 63 N -3.36 -0.61 -0.01 6.12 2.08 0.19 -1.44 119.36 122.33 1q7y n ILE 63 Ca -0.01 2.37 -0.05 0.00 0.56 0.00 0.00 62.75 65.62 1q7y n ILE 63 Cb 0.95 -3.01 -0.03 0.00 -0.75 0.00 0.00 39.64 36.80 1q7y n ILE 63 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1q7y h PRO 64 N 0.00 -0.18 -0.98 0.38 0.11 -1.75 0.26 132.00 129.84 1q7y h PRO 64 Ca 0.23 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.37 1q7y h PRO 64 Cb 0.48 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.58 1q7y h PRO 64 CO -0.95 -0.12 0.65 1.49 -0.21 0.00 0.00 178.00 178.86 1q7y h GLU 65 N -0.18 1.29 -0.99 1.05 4.81 -1.81 -0.29 114.58 118.45 1q7y h GLU 65 Ca 0.01 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1q7y h GLU 65 Cb 0.22 -0.29 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1q7y h GLU 65 CO -0.15 0.85 0.65 1.25 -0.73 0.00 0.00 179.01 180.88 1q7y h LEU 66 N 1.32 1.07 -0.21 1.64 5.85 -0.99 -1.77 115.31 122.23 1q7y h LEU 66 Ca 0.36 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.04 1q7y h LEU 66 Cb -0.14 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 1q7y h LEU 66 CO -0.08 0.72 -0.02 0.00 -0.34 0.00 0.00 178.44 178.72 1q7y h ALA 67 N 1.43 0.28 -0.72 1.25 0.00 0.56 -3.08 119.26 118.98 1q7y h ALA 67 Ca 0.40 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1q7y h ALA 67 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1q7y h ALA 67 CO -0.14 0.03 0.46 -0.44 0.00 0.00 0.00 179.25 179.16 1q7y h ASP 68 N 0.13 0.77 -0.06 0.00 3.32 -0.49 -1.29 116.42 118.80 1q7y h ASP 68 Ca 0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1q7y h ASP 68 Cb 0.44 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1q7y h ASP 68 CO 0.01 0.54 0.00 -1.84 -1.72 0.00 0.00 179.24 176.24 1q7y n GLU 69 N -4.63 1.17 -0.05 3.56 0.28 -0.72 -2.68 120.64 117.57 1q7y n GLU 69 Ca 0.07 -0.26 0.05 0.00 -0.16 0.00 0.00 57.16 56.86 1q7y n GLU 69 Cb 0.07 -1.19 0.07 0.00 1.43 0.00 0.00 31.44 31.82 1q7y n GLU 69 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1q7y n LYS 70 N -0.41 1.98 0.00 3.44 4.76 -0.53 -4.98 118.16 122.41 1q7y n LYS 70 Ca 0.09 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.49 1q7y n LYS 70 Cb 0.10 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1q7y n LYS 70 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1q7y n GLY 71 N -0.97 0.00 3.72 0.72 0.00 -0.93 -4.91 105.19 102.82 1q7y n GLY 71 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1q7y n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q7y s VAL 72 N -0.43 2.18 0.47 1.61 1.01 -1.08 -4.97 120.40 119.19 1q7y s VAL 72 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 1q7y s VAL 72 Cb 0.00 -3.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 1q7y s VAL 72 CO 0.00 0.01 0.97 -2.84 0.00 0.00 0.00 175.10 173.23 1q7y s PRO 73 N 1.25 4.10 0.01 2.72 0.02 -1.19 -4.48 135.00 137.43 1q7y s PRO 73 Ca 0.74 1.04 -0.00 0.00 0.02 0.00 0.00 61.00 62.80 1q7y s PRO 73 Cb -0.48 -2.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.86 1q7y s PRO 73 CO 0.32 -0.14 -0.02 -0.59 -0.33 0.00 0.00 177.00 176.24 1q7y s PHE 74 N -2.39 0.19 -0.02 6.54 -0.12 -1.26 -1.06 117.98 119.86 1q7y s PHE 74 Ca 0.60 -0.38 0.02 0.00 -0.05 0.00 0.00 56.93 57.12 1q7y s PHE 74 Cb -0.09 -0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.16 1q7y s PHE 74 CO 0.22 -0.15 -0.06 -1.50 -0.05 0.00 0.00 175.22 173.67 1q7y s ILE 75 N -1.10 0.56 -0.20 -4.49 2.07 -0.07 -4.96 121.20 113.02 1q7y s ILE 75 Ca -0.12 -0.25 -0.26 0.00 -1.41 0.00 0.00 60.65 58.61 1q7y s ILE 75 Cb -0.07 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 1q7y s ILE 75 CO -0.01 0.18 0.89 -0.36 -1.91 0.00 0.00 174.94 173.74 1q7y s PHE 76 N 0.17 3.37 -0.15 3.50 2.99 -1.26 -1.87 117.98 124.73 1q7y s PHE 76 Ca -0.02 1.30 -0.07 0.00 0.00 0.00 0.00 56.93 58.14 1q7y s PHE 76 Cb -0.07 -3.10 -0.04 0.00 0.00 0.00 0.00 43.02 39.81 1q7y s PHE 76 CO -0.00 -0.35 0.10 0.08 -0.00 0.00 0.00 175.22 175.05 1q7y s VAL 77 N 2.60 5.13 -0.02 -0.44 1.01 0.84 -4.78 120.40 124.74 1q7y s VAL 77 Ca 0.39 0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.21 1q7y s VAL 77 Cb -0.16 -3.26 -0.17 0.00 0.00 0.00 0.00 36.38 32.79 1q7y s VAL 77 CO 0.10 0.54 1.12 -0.33 0.00 0.00 0.00 175.10 176.53 1q7y h GLU 78 N 5.76 -0.25 -6.14 2.72 4.39 -1.94 0.94 114.58 120.06 1q7y h GLU 78 Ca -0.47 0.02 -0.57 0.00 0.34 0.00 0.00 59.36 58.68 1q7y h GLU 78 Cb 1.19 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.85 1q7y h GLU 78 CO 0.64 0.14 -0.01 -0.65 -1.16 0.00 0.00 179.01 177.96 1q7y s GLN 79 N -4.17 4.29 0.15 2.33 -1.52 -1.26 -3.10 119.66 116.38 1q7y s GLN 79 Ca -0.14 0.75 0.01 0.00 -1.95 0.00 0.00 55.36 54.03 1q7y s GLN 79 Cb 0.02 -3.31 -0.05 0.00 -0.22 0.00 0.00 33.01 29.44 1q7y s GLN 79 CO 0.55 0.46 1.34 0.37 -0.25 0.00 0.00 175.29 177.75 1q7y h GLN 80 N 5.26 0.24 -0.00 2.91 4.15 -1.86 -3.18 115.11 122.62 1q7y h GLN 80 Ca -0.47 -0.27 -0.20 0.00 0.77 0.00 0.00 58.65 58.48 1q7y h GLN 80 Cb 1.21 0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 1q7y h GLN 80 CO 0.68 1.01 -0.86 -0.44 -1.93 0.00 0.00 178.83 177.28 1q7y h ASP 81 N 0.13 0.30 0.03 -0.69 3.32 -1.90 -1.52 116.42 116.09 1q7y h ASP 81 Ca -0.06 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1q7y h ASP 81 Cb 1.57 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1q7y h ASP 81 CO 0.15 1.03 -0.02 0.44 -1.72 0.00 0.00 179.24 179.12 1q7y h ASP 82 N 0.14 -0.04 -0.27 6.45 3.32 -1.93 1.30 116.42 125.38 1q7y h ASP 82 Ca -0.05 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1q7y h ASP 82 Cb 1.48 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.02 1q7y h ASP 82 CO 0.13 -0.01 0.13 0.25 -1.72 0.00 0.00 179.24 178.02 1q7y h LEU 83 N -0.06 0.41 0.21 1.55 5.85 -1.51 0.40 115.31 122.15 1q7y h LEU 83 Ca -0.00 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1q7y h LEU 83 Cb 0.05 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1q7y h LEU 83 CO 0.01 0.38 -0.10 1.23 -0.34 0.00 0.00 178.44 179.62 1q7y h GLY 84 N 0.61 -0.29 0.73 3.75 0.00 -0.56 -2.27 103.07 105.04 1q7y h GLY 84 Ca 0.11 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1q7y h GLY 84 CO -0.01 -0.11 -0.08 0.84 0.00 0.00 0.00 176.54 177.18 1q7y h HIS 85 N -0.77 -0.19 -0.41 5.60 -0.00 0.22 -0.57 115.15 119.02 1q7y h HIS 85 Ca -0.03 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.42 1q7y h HIS 85 Cb 0.51 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.99 1q7y h HIS 85 CO 0.06 -0.12 0.28 0.00 -0.00 0.00 0.00 177.93 178.15 1q7y h ALA 86 N 0.92 2.06 -0.00 5.26 0.00 -0.33 0.12 119.26 127.29 1q7y h ALA 86 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q7y h ALA 86 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1q7y h ALA 86 CO -0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 179.25 178.98 1q7y n ALA 87 N -2.54 2.61 -0.51 0.00 0.00 -0.86 -3.91 120.51 115.31 1q7y n ALA 87 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1q7y n ALA 87 Cb 0.30 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1q7y n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q7y n GLY 88 N 1.12 0.71 3.88 0.00 0.00 0.43 -4.98 105.19 106.35 1q7y n GLY 88 Ca 0.20 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1q7y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q7y s LEU 89 N 0.00 4.20 0.22 0.99 1.43 -0.27 -5.01 118.68 120.24 1q7y s LEU 89 Ca 0.00 0.17 0.11 0.00 -1.03 0.00 0.00 54.13 53.39 1q7y s LEU 89 Cb 0.00 -2.81 0.05 0.00 0.03 0.00 0.00 46.19 43.46 1q7y s LEU 89 CO 0.00 0.15 1.42 -0.08 0.23 0.00 0.00 176.35 178.08 1q7y h GLU 90 N 2.99 0.00 0.00 1.70 4.81 -1.92 -3.24 114.58 118.91 1q7y h GLU 90 Ca -0.46 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.65 1q7y h GLU 90 Cb 1.17 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.56 1q7y h GLU 90 CO 0.72 0.72 0.00 0.28 -0.73 0.00 0.00 179.01 180.00 1q7y n VAL 91 N -3.38 0.00 -2.55 0.32 0.31 -1.26 -4.92 118.33 106.85 1q7y n VAL 91 Ca 0.01 -0.44 -0.16 0.00 -0.01 0.00 0.00 64.34 63.74 1q7y n VAL 91 Cb 0.79 -1.06 0.08 0.00 -0.91 0.00 0.00 33.84 32.74 1q7y n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q7y n GLY 92 N 3.18 0.79 3.56 2.92 0.00 -1.26 -4.03 105.19 110.35 1q7y n GLY 92 Ca 0.04 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 1q7y n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q7y s SER 93 N -3.87 -0.75 0.09 1.61 0.15 -0.82 -4.71 113.70 105.40 1q7y s SER 93 Ca 0.47 1.35 -0.14 0.00 0.70 0.00 0.00 55.95 58.33 1q7y s SER 93 Cb -0.03 1.31 -0.20 0.00 -1.71 0.00 0.00 66.02 65.39 1q7y s SER 93 CO 0.31 -0.23 1.24 0.00 1.20 0.00 0.00 173.24 175.76 1q7y h ALA 94 N 5.86 0.21 -2.57 5.45 0.00 -1.94 -3.40 119.26 122.87 1q7y h ALA 94 Ca -0.30 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 53.88 1q7y h ALA 94 Cb 1.19 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 1q7y h ALA 94 CO 0.13 0.67 -0.29 0.00 0.00 0.00 0.00 179.25 179.76 1q7y s ALA 95 N -3.52 -0.45 0.05 0.00 0.00 -1.26 -0.54 121.76 116.04 1q7y s ALA 95 Ca -0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1q7y s ALA 95 Cb 0.08 0.49 -0.00 0.00 0.00 0.00 0.00 23.12 23.69 1q7y s ALA 95 CO 0.91 -0.51 0.17 0.00 0.00 0.00 0.00 175.76 176.33 1q7y s ALA 96 N -3.59 -0.26 -0.05 0.00 0.00 0.11 -2.35 121.76 115.62 1q7y s ALA 96 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 1q7y s ALA 96 Cb 0.03 0.30 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1q7y s ALA 96 CO -0.10 -0.37 -0.00 0.00 0.00 0.00 0.00 175.76 175.29 1q7y s ALA 97 N -2.78 0.52 -0.68 0.00 0.00 0.15 0.11 121.76 119.09 1q7y s ALA 97 Ca -0.03 0.02 -0.25 0.00 0.00 0.00 0.00 51.96 51.70 1q7y s ALA 97 Cb -0.00 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.65 1q7y s ALA 97 CO -0.05 -0.24 1.09 0.08 0.00 0.00 0.00 175.76 176.64 1q7y s VAL 98 N 1.44 4.08 -0.98 0.00 1.01 0.13 0.13 120.40 126.21 1q7y s VAL 98 Ca -0.03 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1q7y s VAL 98 Cb -0.13 -4.77 0.16 0.00 0.00 0.00 0.00 36.38 31.64 1q7y s VAL 98 CO -0.03 -1.59 1.13 0.28 0.00 0.00 0.00 175.10 174.90 1q7y s THR 99 N 4.74 5.01 -0.07 3.92 -1.32 0.11 -2.11 115.64 125.91 1q7y s THR 99 Ca 0.28 -2.05 -0.00 0.00 -1.21 0.00 0.00 61.69 58.71 1q7y s THR 99 Cb -0.13 -4.75 0.00 0.00 -1.51 0.00 0.00 72.50 66.11 1q7y s THR 99 CO 0.13 -1.44 0.00 0.47 -2.21 0.00 0.00 174.62 171.58 1q7y n ASP 100 N 5.72 -3.44 -3.12 8.08 9.92 -1.25 -3.38 116.55 129.08 1q7y n ASP 100 Ca 0.25 0.34 -0.01 0.00 -0.53 0.00 0.00 54.79 54.84 1q7y n ASP 100 Cb 0.47 -2.04 0.01 0.00 -0.64 0.00 0.00 41.12 38.92 1q7y n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q7y n ALA 101 N 0.16 -0.16 -3.39 2.24 0.00 -1.26 -1.54 120.51 116.55 1q7y n ALA 101 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1q7y n ALA 101 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 1q7y n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1q7y s GLY 102 N -0.52 -0.37 -1.09 0.00 0.00 -1.26 -3.89 107.32 100.19 1q7y s GLY 102 Ca 0.02 2.79 0.00 0.00 0.00 0.00 0.00 44.72 47.53 1q7y s GLY 102 CO 0.02 3.29 0.00 0.00 0.00 0.00 0.00 173.10 176.41 1q7y n ALA 103 N 5.16 -0.74 -1.31 3.20 0.00 -1.26 -4.20 120.51 121.36 1q7y n ALA 103 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1q7y n ALA 103 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1q7y n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q7y n ALA 104 N -2.06 0.00 0.09 0.00 0.00 -1.26 -4.93 120.51 112.35 1q7y n ALA 104 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.34 1q7y n ALA 104 Cb 0.60 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.29 1q7y n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q7y n ALA 105 N 0.00 0.77 -0.04 0.00 0.00 -1.26 0.19 120.51 120.17 1q7y n ALA 105 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 1q7y n ALA 105 Cb 0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1q7y n ALA 105 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1q7y n THR 106 N -1.77 0.68 -0.30 0.00 -1.04 -1.26 -3.07 114.28 107.52 1q7y n THR 106 Ca -0.01 0.36 0.13 0.00 -2.04 0.00 0.00 64.05 62.49 1q7y n THR 106 Cb 0.17 -1.92 0.29 0.00 -1.82 0.00 0.00 70.33 67.04 1q7y n THR 106 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1q7y h VAL 107 N -0.48 0.37 0.58 12.58 2.07 -1.80 -1.48 116.25 128.10 1q7y h VAL 107 Ca 0.00 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1q7y h VAL 107 Cb 0.29 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1q7y h VAL 107 CO 0.00 0.05 -0.32 0.25 0.02 0.00 0.00 177.57 177.57 1q7y h LEU 108 N 0.26 -0.79 -1.01 2.57 5.85 -0.47 -1.33 115.31 120.41 1q7y h LEU 108 Ca 0.55 0.04 0.32 0.00 0.84 0.00 0.00 57.88 59.63 1q7y h LEU 108 Cb 1.08 0.22 -0.15 0.00 0.37 0.00 0.00 40.66 42.18 1q7y h LEU 108 CO -0.61 -0.51 0.57 -0.08 -0.34 0.00 0.00 178.44 177.47 1q7y h GLU 109 N -0.83 0.32 -0.07 1.25 4.81 -1.27 0.67 114.58 119.46 1q7y h GLU 109 Ca -0.08 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1q7y h GLU 109 Cb 0.65 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1q7y h GLU 109 CO 0.10 0.21 -0.46 0.93 -0.73 0.00 0.00 179.01 179.07 1q7y h GLU 110 N 0.33 0.16 -0.31 1.92 5.08 -1.10 -2.29 114.58 118.38 1q7y h GLU 110 Ca 0.73 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.90 1q7y h GLU 110 Cb 1.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 1q7y h GLU 110 CO -0.60 0.59 -0.23 0.82 -1.00 0.00 0.00 179.01 178.60 1q7y h ILE 111 N 0.13 1.30 -0.12 3.13 2.04 0.14 0.13 117.51 124.26 1q7y h ILE 111 Ca 0.01 -1.37 0.04 0.00 1.00 0.00 0.00 64.86 64.53 1q7y h ILE 111 Cb 0.87 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1q7y h ILE 111 CO 0.07 0.44 0.10 0.00 0.00 0.00 0.00 178.15 178.75 1q7y h ALA 112 N 0.74 2.00 0.01 1.87 0.00 -0.81 -1.34 119.26 121.73 1q7y h ALA 112 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1q7y h ALA 112 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1q7y h ALA 112 CO 0.06 -0.16 -0.09 -0.44 0.00 0.00 0.00 179.25 178.63 1q7y h ASP 113 N 0.00 0.06 -0.99 0.00 3.32 -0.80 -2.61 116.42 115.40 1q7y h ASP 113 Ca 0.06 -0.91 0.12 0.00 0.02 0.00 0.00 57.03 56.31 1q7y h ASP 113 Cb 0.25 -0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.70 1q7y h ASP 113 CO -0.00 0.96 0.63 0.11 -1.72 0.00 0.00 179.24 179.22 1q7y h LYS 114 N -0.84 0.96 -0.18 3.56 1.57 -0.17 -1.60 116.57 119.87 1q7y h LYS 114 Ca -0.01 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 1q7y h LYS 114 Cb 0.98 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.08 1q7y h LYS 114 CO 0.02 0.64 -0.56 0.28 -0.57 0.00 0.00 179.45 179.25 1q7y h VAL 115 N 0.99 1.31 -0.18 0.50 2.07 -1.37 -0.99 116.25 118.59 1q7y h VAL 115 Ca 0.49 -1.79 0.04 0.00 0.82 0.00 0.00 66.70 66.26 1q7y h VAL 115 Cb 0.48 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1q7y h VAL 115 CO -0.25 0.56 0.13 -0.33 0.02 0.00 0.00 177.57 177.70 1q7y h GLU 116 N 0.40 0.05 0.00 1.57 4.39 -1.00 0.80 114.58 120.79 1q7y h GLU 116 Ca -0.02 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 1q7y h GLU 116 Cb 1.18 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1q7y h GLU 116 CO 0.12 0.03 -0.88 0.93 -1.16 0.00 0.00 179.01 178.05 1q7y h GLU 117 N 0.05 0.00 0.00 2.33 5.08 -1.17 -3.06 114.58 117.81 1q7y h GLU 117 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1q7y h GLU 117 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1q7y h GLU 117 CO -0.01 0.56 0.00 -0.11 -1.00 0.00 0.00 179.01 178.45 1q7y n LEU 118 N -3.17 0.00 0.00 1.33 7.94 0.24 -5.10 117.00 118.25 1q7y n LEU 118 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1q7y n LEU 118 Cb 0.82 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.77 1q7y n LEU 118 CO 0.43 0.00 0.00 -1.14 -1.11 0.00 0.00 177.39 175.57