#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d8y s GLU 2 N 0.00 4.23 0.78 -1.58 2.12 -1.26 -5.04 118.70 117.95 3d8y s GLU 2 Ca 0.00 1.31 -0.11 0.00 0.36 0.00 0.00 54.97 56.53 3d8y s GLU 2 Cb 0.00 -3.66 0.06 0.00 0.26 0.00 0.00 34.13 30.79 3d8y s GLU 2 CO 0.00 -0.67 1.08 0.95 -0.54 0.00 0.00 175.26 176.08 3d8y s THR 3 N 3.27 3.35 0.24 -1.70 -4.23 -1.26 -4.84 115.64 110.48 3d8y s THR 3 Ca 0.44 0.44 -0.05 0.00 -1.18 0.00 0.00 61.69 61.34 3d8y s THR 3 Cb -0.15 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.90 3d8y s THR 3 CO 0.08 -0.57 1.85 0.00 -0.54 0.00 0.00 174.62 175.43 3d8y h ALA 4 N -1.10 1.19 -0.70 3.99 0.00 -1.96 -0.26 119.26 120.42 3d8y h ALA 4 Ca -0.45 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3d8y h ALA 4 Cb 1.24 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3d8y h ALA 4 CO 0.54 0.26 0.35 0.00 0.00 0.00 0.00 179.25 180.41 3d8y h ALA 5 N 1.41 0.90 -0.58 0.00 0.00 -1.90 -1.32 119.26 117.77 3d8y h ALA 5 Ca 0.38 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 3d8y h ALA 5 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3d8y h ALA 5 CO -0.18 0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.46 3d8y h ALA 6 N 1.17 0.81 -0.82 0.00 0.00 -1.79 -1.88 119.26 116.75 3d8y h ALA 6 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3d8y h ALA 6 Cb 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3d8y h ALA 6 CO -0.03 0.67 0.43 -0.22 0.00 0.00 0.00 179.25 180.10 3d8y h LYS 7 N 0.95 1.15 -0.24 0.00 3.64 -0.83 0.05 116.57 121.29 3d8y h LYS 7 Ca 0.16 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3d8y h LYS 7 Cb 0.61 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3d8y h LYS 7 CO 0.04 0.86 0.11 0.35 -2.27 0.00 0.00 179.45 178.54 3d8y h PHE 8 N 1.14 0.21 -0.83 1.91 3.04 -1.01 0.68 116.94 122.09 3d8y h PHE 8 Ca 0.29 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.27 3d8y h PHE 8 Cb 0.05 -0.06 -0.05 0.00 2.56 0.00 0.00 35.95 38.46 3d8y h PHE 8 CO 0.01 0.12 0.54 0.93 -2.02 0.00 0.00 178.31 177.88 3d8y h GLU 9 N 0.25 1.04 -0.32 1.11 5.08 -0.95 0.11 114.58 120.90 3d8y h GLU 9 Ca 0.10 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3d8y h GLU 9 Cb 0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3d8y h GLU 9 CO -0.08 0.69 0.01 -0.09 -1.00 0.00 0.00 179.01 178.54 3d8y h ARG 10 N 1.07 0.55 0.00 2.33 2.43 -0.57 -2.41 114.38 117.78 3d8y h ARG 10 Ca 0.32 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 59.14 3d8y h ARG 10 Cb -0.04 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3d8y h ARG 10 CO -0.10 0.68 -0.86 1.96 -1.51 0.00 0.00 179.97 180.14 3d8y h GLN 11 N 0.35 0.00 0.00 0.20 4.20 -0.72 -3.42 115.11 115.73 3d8y h GLN 11 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3d8y h GLN 11 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3d8y h GLN 11 CO 0.01 0.86 0.00 0.72 -0.67 0.00 0.00 178.83 179.76 3d8y n HIS 12 N -3.47 0.00 -3.84 2.96 8.25 0.37 -4.65 115.22 114.84 3d8y n HIS 12 Ca -0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3d8y n HIS 12 Cb 0.84 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.84 3d8y n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3d8y s MET 13 N -0.42 3.88 -0.42 -0.41 -1.94 -0.91 0.25 119.30 119.33 3d8y s MET 13 Ca 0.00 -0.38 0.05 0.00 -1.71 0.00 0.00 55.69 53.65 3d8y s MET 13 Cb 0.00 -3.34 0.19 0.00 2.01 0.00 0.00 34.83 33.69 3d8y s MET 13 CO 0.00 0.04 0.43 -3.47 -0.01 0.00 0.00 175.02 172.01 3d8y n ASP 14 N 4.26 -0.65 0.02 3.03 2.03 -0.44 -4.84 116.55 119.95 3d8y n ASP 14 Ca -0.16 -2.51 0.08 0.00 0.52 0.00 0.00 54.79 52.72 3d8y n ASP 14 Cb 0.52 -0.32 0.36 0.00 -0.72 0.00 0.00 41.12 40.96 3d8y n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3d8y n SER 15 N 2.49 0.08 -0.01 1.67 7.64 -1.26 -4.00 113.62 120.24 3d8y n SER 15 Ca 0.26 0.52 -0.11 0.00 1.01 0.00 0.00 58.87 60.55 3d8y n SER 15 Cb 0.50 -0.54 0.03 0.00 -1.01 0.00 0.00 64.21 63.19 3d8y n SER 15 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3d8y h SER 16 N 0.00 0.70 -3.38 6.43 0.02 -1.92 -3.43 113.55 111.96 3d8y h SER 16 Ca 0.00 -0.39 -0.68 0.00 -0.84 0.00 0.00 61.79 59.89 3d8y h SER 16 Cb 0.29 -0.20 -0.15 0.00 0.14 0.00 0.00 62.40 62.48 3d8y h SER 16 CO 0.00 1.13 -0.64 0.28 -1.14 0.00 0.00 176.83 176.46 3d8y s THR 17 N -3.98 4.19 0.04 -2.27 -1.32 -1.26 -5.03 115.64 106.01 3d8y s THR 17 Ca -0.08 -0.37 -0.18 0.00 -1.21 0.00 0.00 61.69 59.84 3d8y s THR 17 Cb 0.11 -2.78 -0.18 0.00 -1.51 0.00 0.00 72.50 68.14 3d8y s THR 17 CO 0.86 0.54 1.23 0.28 -2.21 0.00 0.00 174.62 175.32 3d8y h SER 18 N 4.95 0.58 0.00 8.08 0.02 -1.89 -3.44 113.55 121.85 3d8y h SER 18 Ca -0.50 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 59.82 3d8y h SER 18 Cb 1.18 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3d8y h SER 18 CO 0.55 1.12 0.00 0.00 -1.14 0.00 0.00 176.83 177.36 3d8y n ALA 19 N -2.54 0.00 -0.09 3.77 0.00 -1.26 -4.80 120.51 115.59 3d8y n ALA 19 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.25 3d8y n ALA 19 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 3d8y n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d8y n ALA 20 N 0.00 1.60 -1.43 0.00 0.00 -1.26 -5.03 120.51 114.40 3d8y n ALA 20 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3d8y n ALA 20 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3d8y n ALA 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3d8y n SER 21 N -2.83 0.00 -4.38 0.00 7.64 -1.26 -4.78 113.62 108.01 3d8y n SER 21 Ca -0.30 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.26 3d8y n SER 21 Cb 0.92 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.26 3d8y n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3d8y n SER 22 N 0.67 -2.14 -0.06 6.43 3.41 -1.26 -4.73 113.62 115.93 3d8y n SER 22 Ca 0.00 0.20 0.25 0.00 -0.26 0.00 0.00 58.87 59.05 3d8y n SER 22 Cb 0.00 -1.14 0.72 0.00 -0.26 0.00 0.00 64.21 63.53 3d8y n SER 22 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3d8y h SER 23 N -1.73 0.00 1.39 4.04 0.87 -1.94 0.12 113.55 116.31 3d8y h SER 23 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3d8y h SER 23 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3d8y h SER 23 CO 0.36 0.00 -0.04 0.59 -0.53 0.00 0.00 176.83 177.21 3d8y n ASN 24 N -3.96 0.73 -0.03 6.23 3.02 -1.26 -4.55 115.26 115.45 3d8y n ASN 24 Ca 0.14 0.54 -0.11 0.00 -0.03 0.00 0.00 54.58 55.12 3d8y n ASN 24 Cb 0.84 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 3d8y n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3d8y h TYR 25 N 0.00 -1.08 -0.48 3.10 3.20 -1.04 -2.16 116.97 118.52 3d8y h TYR 25 Ca 0.00 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 3d8y h TYR 25 Cb 0.71 0.50 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 3d8y h TYR 25 CO 0.00 -0.44 -0.03 0.00 -1.64 0.00 0.00 178.16 176.05 3d8y h ASN 27 N 0.72 0.28 -0.05 0.00 2.35 -1.71 -0.54 115.58 116.63 3d8y h ASN 27 Ca 0.13 0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 3d8y h ASN 27 Cb 0.56 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3d8y h ASN 27 CO 0.03 0.12 -0.19 1.56 -1.65 0.00 0.00 177.43 177.30 3d8y h GLN 28 N 0.45 0.22 -0.23 0.81 4.20 -1.12 -3.25 115.11 116.18 3d8y h GLN 28 Ca 0.38 -0.17 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 3d8y h GLN 28 Cb 0.54 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 3d8y h GLN 28 CO -0.37 0.80 -0.29 0.52 -0.67 0.00 0.00 178.83 178.82 3d8y h MET 29 N -0.32 0.60 -0.77 1.46 2.86 -0.76 -1.23 114.93 116.76 3d8y h MET 29 Ca -0.01 -0.34 0.04 0.00 -2.06 0.00 0.00 59.70 57.32 3d8y h MET 29 Cb 0.83 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 3d8y h MET 29 CO 0.04 0.95 0.51 0.52 1.06 0.00 0.00 176.91 179.99 3d8y h MET 30 N 0.30 0.91 0.09 1.72 2.86 -1.25 -1.04 114.93 118.51 3d8y h MET 30 Ca 0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3d8y h MET 30 Cb 0.87 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3d8y h MET 30 CO 0.07 0.60 -0.04 -0.22 1.06 0.00 0.00 176.91 178.38 3d8y h LYS 31 N 0.94 -0.11 0.00 1.72 3.64 -1.57 0.31 116.57 121.49 3d8y h LYS 31 Ca 0.31 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3d8y h LYS 31 Cb 0.06 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3d8y h LYS 31 CO -0.09 0.34 -0.36 0.66 -2.27 0.00 0.00 179.45 177.73 3d8y h SER 32 N -0.62 0.00 -0.31 4.20 4.64 -0.96 -1.23 113.55 119.28 3d8y h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3d8y h SER 32 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3d8y h SER 32 CO 0.02 0.36 0.00 0.54 -0.87 0.00 0.00 176.83 176.88 3d8y n ARG 33 N -3.99 1.76 -3.18 4.77 5.12 -0.42 -4.92 116.66 115.81 3d8y n ARG 33 Ca -0.02 -1.18 -0.17 0.00 -1.93 0.00 0.00 57.85 54.55 3d8y n ARG 33 Cb 0.41 -1.28 0.05 0.00 -1.16 0.00 0.00 32.46 30.48 3d8y n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3d8y n ASN 34 N 0.45 -5.10 -1.17 0.55 3.02 -0.46 -4.82 115.26 107.72 3d8y n ASN 34 Ca 0.12 -0.35 0.10 0.00 -0.03 0.00 0.00 54.58 54.43 3d8y n ASN 34 Cb 0.29 -3.75 0.28 0.00 -0.61 0.00 0.00 39.78 35.98 3d8y n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d8y n LEU 35 N -3.57 3.68 -0.15 3.41 4.77 0.09 -4.30 117.00 120.93 3d8y n LEU 35 Ca -0.01 -1.96 0.07 0.00 -0.03 0.00 0.00 56.01 54.07 3d8y n LEU 35 Cb 0.55 -0.41 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3d8y n LEU 35 CO 0.44 0.91 0.49 0.35 -1.33 0.00 0.00 177.39 178.25 3d8y n THR 36 N 1.38 1.39 -0.09 -5.08 -2.24 -1.21 -1.83 114.28 106.60 3d8y n THR 36 Ca 0.21 -1.65 -0.16 0.00 -2.27 0.00 0.00 64.05 60.18 3d8y n THR 36 Cb 0.57 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.71 3d8y n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d8y h LYS 37 N 0.00 0.00 0.09 -0.78 3.64 -1.91 -3.39 116.57 114.22 3d8y h LYS 37 Ca 0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 3d8y h LYS 37 Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3d8y h LYS 37 CO 0.00 0.78 -1.15 -0.44 -2.27 0.00 0.00 179.45 176.37 3d8y h ASP 38 N -1.00 0.45 -5.37 4.20 3.32 -1.88 -3.48 116.42 112.65 3d8y h ASP 38 Ca -0.21 -0.44 0.15 0.00 0.02 0.00 0.00 57.03 56.55 3d8y h ASP 38 Cb 1.05 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 3d8y h ASP 38 CO -0.13 1.31 0.54 0.00 -1.72 0.00 0.00 179.24 179.24 3d8y s ARG 39 N -2.84 1.37 -0.53 3.56 1.70 -1.26 -5.09 118.95 115.86 3d8y s ARG 39 Ca -0.04 -0.86 -0.28 0.00 -0.47 0.00 0.00 55.73 54.07 3d8y s ARG 39 Cb 0.08 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.88 3d8y s ARG 39 CO 0.88 -0.64 1.24 0.00 -1.08 0.00 0.00 175.30 175.70 3d8y n LYS 41 N 8.25 2.19 -0.09 0.00 4.81 -0.76 -4.87 118.16 127.70 3d8y n LYS 41 Ca 0.11 0.80 -0.08 0.00 -0.87 0.00 0.00 58.31 58.27 3d8y n LYS 41 Cb 0.49 -2.65 0.08 0.00 0.02 0.00 0.00 35.03 32.97 3d8y n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3d8y h PRO 42 N 9.14 0.78 -3.58 1.64 0.13 -1.94 -3.43 132.00 134.74 3d8y h PRO 42 Ca -0.48 -0.32 -0.29 0.00 -0.87 0.00 0.00 66.00 64.04 3d8y h PRO 42 Cb 1.27 -0.03 -0.33 0.00 0.13 0.00 0.00 31.00 32.04 3d8y h PRO 42 CO 0.95 0.94 -0.73 0.14 -0.23 0.00 0.00 178.00 179.07 3d8y s VAL 43 N -4.58 -0.03 -0.08 1.56 -7.23 -1.26 -0.93 120.40 107.84 3d8y s VAL 43 Ca -0.09 0.16 -0.19 0.00 -1.81 0.00 0.00 61.98 60.06 3d8y s VAL 43 Cb 0.13 -0.07 0.04 0.00 0.56 0.00 0.00 36.38 37.03 3d8y s VAL 43 CO 0.84 0.07 0.44 0.21 -0.31 0.00 0.00 175.10 176.35 3d8y s ASN 44 N 0.84 -0.39 -0.05 4.85 2.47 -0.49 -5.01 114.94 117.16 3d8y s ASN 44 Ca -0.07 0.51 0.06 0.00 0.42 0.00 0.00 52.86 53.78 3d8y s ASN 44 Cb -0.10 0.58 -0.01 0.00 -1.45 0.00 0.00 41.25 40.27 3d8y s ASN 44 CO -0.02 -0.38 -0.23 -0.89 -3.72 0.00 0.00 177.10 171.86 3d8y s THR 45 N -0.74 1.87 -0.10 -5.21 2.01 -1.26 0.21 115.64 112.42 3d8y s THR 45 Ca -0.08 -0.96 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 3d8y s THR 45 Cb -0.03 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 3d8y s THR 45 CO 0.04 0.52 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.07 3d8y s PHE 46 N -0.11 2.95 -0.22 4.92 0.08 -0.29 -4.28 117.98 121.03 3d8y s PHE 46 Ca -0.03 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 56.80 3d8y s PHE 46 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 3d8y s PHE 46 CO 0.03 0.16 0.06 0.08 -0.10 0.00 0.00 175.22 175.45 3d8y s VAL 47 N -0.32 4.42 -1.11 -0.44 1.01 0.14 -0.55 120.40 123.55 3d8y s VAL 47 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3d8y s VAL 47 Cb -0.13 -3.04 0.28 0.00 0.00 0.00 0.00 36.38 33.50 3d8y s VAL 47 CO 0.02 0.38 1.71 1.41 0.00 0.00 0.00 175.10 178.62 3d8y n HIS 48 N 4.45 2.49 -4.19 5.22 -0.00 0.11 -1.33 115.22 121.98 3d8y n HIS 48 Ca -0.16 -2.61 -0.12 0.00 -0.00 0.00 0.00 57.72 54.83 3d8y n HIS 48 Cb 0.52 -1.36 -0.10 0.00 -0.00 0.00 0.00 29.99 29.05 3d8y n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3d8y s GLU 49 N -2.82 1.22 0.66 -0.41 0.41 -1.26 -4.46 118.70 112.03 3d8y s GLU 49 Ca 0.36 -1.61 -0.17 0.00 -0.41 0.00 0.00 54.97 53.14 3d8y s GLU 49 Cb 0.11 0.28 -0.00 0.00 -1.78 0.00 0.00 34.13 32.74 3d8y s GLU 49 CO 0.01 -0.40 1.20 -1.54 -0.49 0.00 0.00 175.26 174.03 3d8y s SER 50 N -3.15 4.79 0.28 -0.19 1.04 -1.26 -4.24 113.70 110.97 3d8y s SER 50 Ca 0.38 2.32 -0.03 0.00 0.48 0.00 0.00 55.95 59.11 3d8y s SER 50 Cb 0.07 -2.59 0.40 0.00 0.10 0.00 0.00 66.02 64.00 3d8y s SER 50 CO 0.12 -1.86 1.93 0.25 0.98 0.00 0.00 173.24 174.66 3d8y h LEU 51 N 0.31 1.02 -0.74 2.42 5.85 -1.99 -2.10 115.31 120.09 3d8y h LEU 51 Ca -0.49 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 3d8y h LEU 51 Cb 1.29 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 3d8y h LEU 51 CO 0.53 0.71 0.44 0.00 -0.34 0.00 0.00 178.44 179.78 3d8y h ALA 52 N 1.45 0.94 -0.56 1.25 0.00 -1.99 0.16 119.26 120.51 3d8y h ALA 52 Ca 0.36 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3d8y h ALA 52 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3d8y h ALA 52 CO -0.11 0.41 0.04 -0.44 0.00 0.00 0.00 179.25 179.16 3d8y h ASP 53 N 1.01 0.88 -0.03 0.00 3.32 -1.79 -0.75 116.42 119.06 3d8y h ASP 53 Ca 0.26 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 3d8y h ASP 53 Cb -0.04 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.29 3d8y h ASP 53 CO -0.05 0.92 -0.59 0.58 -1.72 0.00 0.00 179.24 178.38 3d8y h VAL 54 N 0.86 1.41 -0.82 -1.35 2.07 -1.17 -3.15 116.25 114.10 3d8y h VAL 54 Ca 0.17 -2.01 0.07 0.00 0.82 0.00 0.00 66.70 65.74 3d8y h VAL 54 Cb 0.45 2.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.65 3d8y h VAL 54 CO 0.02 0.59 0.53 1.56 0.02 0.00 0.00 177.57 180.29 3d8y h GLN 55 N -0.03 0.86 -0.01 1.57 4.20 -0.86 -1.59 115.11 119.24 3d8y h GLN 55 Ca -0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3d8y h GLN 55 Cb 1.28 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 3d8y h GLN 55 CO 0.12 0.57 0.02 0.00 -0.67 0.00 0.00 178.83 178.86 3d8y h ALA 56 N 1.56 1.50 -0.02 3.87 0.00 -1.09 -2.12 119.26 122.96 3d8y h ALA 56 Ca 0.36 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3d8y h ALA 56 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3d8y h ALA 56 CO -0.13 -0.03 0.02 0.28 0.00 0.00 0.00 179.25 179.39 3d8y h VAL 57 N 0.00 0.76 0.00 0.00 2.07 -1.30 -1.68 116.25 116.10 3d8y h VAL 57 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3d8y h VAL 57 Cb 0.04 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3d8y h VAL 57 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3d8y n SER 59 N -1.81 2.91 0.00 0.00 3.41 -0.63 -5.01 113.62 112.50 3d8y n SER 59 Ca 0.01 -2.44 0.00 0.00 -0.26 0.00 0.00 58.87 56.18 3d8y n SER 59 Cb 0.08 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3d8y n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d8y n GLN 60 N -0.26 2.98 -2.39 4.33 6.02 -0.35 -4.99 117.38 122.72 3d8y n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 3d8y n GLN 60 Cb 0.55 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.79 3d8y n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3d8y s LYS 61 N 4.34 3.60 -0.02 -1.09 2.20 -0.94 -4.85 119.74 122.98 3d8y s LYS 61 Ca 0.00 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 3d8y s LYS 61 Cb 0.00 -4.00 -0.05 0.00 -1.51 0.00 0.00 37.83 32.26 3d8y s LYS 61 CO 0.00 -1.53 1.44 1.21 -0.36 0.00 0.00 175.35 176.10 3d8y s ASN 62 N 3.68 6.82 0.09 1.43 3.04 -1.26 -0.30 114.94 128.44 3d8y s ASN 62 Ca 0.59 2.11 0.03 0.00 0.04 0.00 0.00 52.86 55.63 3d8y s ASN 62 Cb -0.13 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 3d8y s ASN 62 CO 0.32 -0.76 -0.08 0.68 -3.04 0.00 0.00 177.10 174.22 3d8y s VAL 63 N 2.72 0.80 0.32 -5.21 -7.23 -0.08 -4.93 120.40 106.79 3d8y s VAL 63 Ca 0.65 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 3d8y s VAL 63 Cb -0.31 -1.45 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 3d8y s VAL 63 CO 0.26 -0.69 1.41 0.00 -0.31 0.00 0.00 175.10 175.76 3d8y s ALA 64 N -2.91 3.57 0.60 1.32 0.00 -1.26 -3.12 121.76 119.96 3d8y s ALA 64 Ca 0.07 1.37 -0.15 0.00 0.00 0.00 0.00 51.96 53.26 3d8y s ALA 64 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3d8y s ALA 64 CO -0.02 -0.79 1.05 0.00 0.00 0.00 0.00 175.76 175.99 3d8y h LYS 66 N 0.33 0.43 -0.01 0.00 1.57 -1.92 0.16 116.57 117.13 3d8y h LYS 66 Ca -0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3d8y h LYS 66 Cb 1.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3d8y h LYS 66 CO 0.58 0.28 0.00 0.27 -0.57 0.00 0.00 179.45 180.01 3d8y n ASN 67 N -4.51 0.24 0.00 0.86 0.23 -1.26 -4.90 115.26 105.92 3d8y n ASN 67 Ca 0.18 -1.19 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 3d8y n ASN 67 Cb 0.62 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 3d8y n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d8y n GLY 68 N 0.97 0.92 3.76 4.83 0.00 0.04 -5.06 105.19 110.66 3d8y n GLY 68 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 3d8y n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d8y s GLN 69 N -0.67 2.09 0.00 1.61 -1.52 -1.26 -4.78 119.66 115.13 3d8y s GLN 69 Ca 0.00 1.08 0.20 0.00 -1.95 0.00 0.00 55.36 54.69 3d8y s GLN 69 Cb 0.00 -1.88 0.37 0.00 -0.22 0.00 0.00 33.01 31.28 3d8y s GLN 69 CO 0.00 -1.74 1.32 0.25 -0.25 0.00 0.00 175.29 174.87 3d8y n THR 70 N -3.57 0.52 -1.26 -0.19 -2.24 -1.26 -0.62 114.28 105.65 3d8y n THR 70 Ca 0.09 -0.76 -0.26 0.00 -2.27 0.00 0.00 64.05 60.85 3d8y n THR 70 Cb 0.54 0.94 0.16 0.00 -2.10 0.00 0.00 70.33 69.87 3d8y n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3d8y n ASN 71 N 1.27 4.51 -4.86 3.42 6.94 -1.26 -4.70 115.26 120.56 3d8y n ASN 71 Ca 0.17 -3.65 -0.26 0.00 -0.02 0.00 0.00 54.58 50.81 3d8y n ASN 71 Cb 0.54 -0.86 -0.04 0.00 -2.36 0.00 0.00 39.78 37.06 3d8y n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d8y s TYR 73 N -1.73 -0.05 -0.14 0.00 1.51 0.31 -0.90 117.35 116.35 3d8y s TYR 73 Ca 0.33 0.22 -0.06 0.00 -1.01 0.00 0.00 57.07 56.55 3d8y s TYR 73 Cb -0.11 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.60 3d8y s TYR 73 CO 0.26 -0.09 0.07 -1.14 -1.11 0.00 0.00 175.55 173.53 3d8y s GLN 74 N 0.74 3.61 0.31 -0.62 0.74 0.59 -1.31 119.66 123.72 3d8y s GLN 74 Ca -0.06 -0.31 -0.29 0.00 0.05 0.00 0.00 55.36 54.75 3d8y s GLN 74 Cb -0.08 -3.11 -0.10 0.00 1.10 0.00 0.00 33.01 30.82 3d8y s GLN 74 CO -0.03 0.50 1.36 -1.54 -0.55 0.00 0.00 175.29 175.03 3d8y s SER 75 N -0.27 6.70 0.34 6.67 1.04 -0.12 -2.22 113.70 125.85 3d8y s SER 75 Ca 0.08 2.71 0.10 0.00 0.48 0.00 0.00 55.95 59.33 3d8y s SER 75 Cb -0.12 -2.64 0.63 0.00 0.10 0.00 0.00 66.02 63.98 3d8y s SER 75 CO 0.01 -0.61 1.79 1.88 0.98 0.00 0.00 173.24 177.30 3d8y h TYR 76 N 3.80 0.14 -2.73 5.02 0.05 -1.96 -3.44 116.97 117.86 3d8y h TYR 76 Ca -0.48 -0.03 -0.59 0.00 0.05 0.00 0.00 58.73 57.67 3d8y h TYR 76 Cb 1.23 -0.03 -0.11 0.00 1.01 0.00 0.00 36.73 38.82 3d8y h TYR 76 CO 0.57 0.46 -0.65 -1.12 -1.05 0.00 0.00 178.16 176.37 3d8y s SER 77 N -6.90 4.74 0.72 3.88 0.01 -1.26 -5.09 113.70 109.80 3d8y s SER 77 Ca -0.04 -0.44 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 3d8y s SER 77 Cb 0.14 -0.99 0.04 0.00 0.21 0.00 0.00 66.02 65.42 3d8y s SER 77 CO 0.74 0.07 1.17 0.42 0.41 0.00 0.00 173.24 176.05 3d8y s THR 78 N -1.85 2.58 0.08 1.44 -4.23 -1.26 -4.54 115.64 107.85 3d8y s THR 78 Ca 0.28 0.27 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 3d8y s THR 78 Cb -0.09 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 3d8y s THR 78 CO 0.19 -0.17 -0.13 -0.04 -0.54 0.00 0.00 174.62 173.93 3d8y s MET 79 N -4.04 0.84 -0.16 3.99 -1.94 0.13 -4.85 119.30 113.26 3d8y s MET 79 Ca 0.71 -1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 53.38 3d8y s MET 79 Cb -0.26 -0.76 -0.01 0.00 2.01 0.00 0.00 34.83 35.81 3d8y s MET 79 CO 0.45 0.16 1.16 0.45 -0.01 0.00 0.00 175.02 177.23 3d8y s SER 80 N -1.95 7.04 0.11 3.03 0.15 -1.26 -1.65 113.70 119.17 3d8y s SER 80 Ca 0.00 1.60 0.02 0.00 0.70 0.00 0.00 55.95 58.28 3d8y s SER 80 Cb -0.08 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3d8y s SER 80 CO 0.02 -0.67 -0.07 0.27 1.20 0.00 0.00 173.24 173.99 3d8y s ILE 81 N 3.00 0.77 -0.12 6.45 -4.36 -0.53 0.09 121.20 126.51 3d8y s ILE 81 Ca 0.51 -1.94 -0.00 0.00 -0.26 0.00 0.00 60.65 58.95 3d8y s ILE 81 Cb -0.20 -1.70 0.02 0.00 1.25 0.00 0.00 42.46 41.84 3d8y s ILE 81 CO 0.14 -0.85 -0.09 -0.89 0.24 0.00 0.00 174.94 173.49 3d8y s THR 82 N -3.55 1.12 0.00 8.37 2.01 0.29 -1.86 115.64 122.02 3d8y s THR 82 Ca 0.12 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 3d8y s THR 82 Cb 0.05 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 3d8y s THR 82 CO -0.04 0.38 0.58 -1.81 -0.69 0.00 0.00 174.62 173.04 3d8y s ASP 83 N 1.60 6.96 -0.16 3.53 1.01 0.11 -1.13 116.67 128.58 3d8y s ASP 83 Ca 0.04 1.15 -0.01 0.00 0.71 0.00 0.00 52.55 54.43 3d8y s ASP 83 Cb -0.13 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.44 3d8y s ASP 83 CO -0.08 0.13 -0.12 0.00 0.21 0.00 0.00 175.17 175.31 3d8y s ARG 85 N 0.84 1.16 0.24 0.00 3.52 -1.01 -1.39 118.95 122.30 3d8y s ARG 85 Ca -0.04 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.07 3d8y s ARG 85 Cb -0.15 -1.14 -0.11 0.00 -1.56 0.00 0.00 34.95 31.99 3d8y s ARG 85 CO 0.00 -0.12 1.57 -2.00 -0.81 0.00 0.00 175.30 173.95 3d8y s GLU 86 N 1.14 4.18 0.74 5.12 2.12 -0.11 -0.83 118.70 131.05 3d8y s GLU 86 Ca -0.07 2.46 -0.11 0.00 0.36 0.00 0.00 54.97 57.61 3d8y s GLU 86 Cb -0.14 -3.09 0.03 0.00 0.26 0.00 0.00 34.13 31.20 3d8y s GLU 86 CO -0.01 -0.59 1.08 0.95 -0.54 0.00 0.00 175.26 176.15 3d8y s THR 87 N 0.48 3.58 0.32 -1.70 -4.23 -0.58 -4.86 115.64 108.65 3d8y s THR 87 Ca 0.66 0.51 0.04 0.00 -1.18 0.00 0.00 61.69 61.72 3d8y s THR 87 Cb -0.46 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.21 3d8y s THR 87 CO 0.40 -0.67 1.84 1.23 -0.54 0.00 0.00 174.62 176.88 3d8y h GLY 88 N -0.84 0.56 1.32 3.99 0.00 -1.94 -2.96 103.07 103.19 3d8y h GLY 88 Ca -0.45 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3d8y h GLY 88 CO 0.59 0.33 -0.13 -1.14 0.00 0.00 0.00 176.54 176.19 3d8y n SER 89 N -4.25 0.28 -4.68 0.19 3.41 -1.26 -4.83 113.62 102.49 3d8y n SER 89 Ca 0.01 -0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.05 3d8y n SER 89 Cb 0.28 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3d8y n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d8y s SER 90 N -2.73 6.60 -0.13 4.04 0.15 -1.12 -4.99 113.70 115.53 3d8y s SER 90 Ca 0.21 2.44 0.00 0.00 0.70 0.00 0.00 55.95 59.31 3d8y s SER 90 Cb 0.19 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.97 3d8y s SER 90 CO 0.53 -0.91 -0.12 -0.54 1.20 0.00 0.00 173.24 173.40 3d8y s LYS 91 N 3.17 1.97 0.25 5.44 -0.14 -1.24 -4.90 119.74 124.30 3d8y s LYS 91 Ca 0.75 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 54.63 3d8y s LYS 91 Cb -0.38 -1.85 -0.14 0.00 -1.68 0.00 0.00 37.83 33.77 3d8y s LYS 91 CO 0.33 -0.21 1.08 0.98 -0.76 0.00 0.00 175.35 176.76 3d8y n TYR 92 N 4.71 1.32 1.55 3.18 9.36 -1.26 -0.80 117.16 135.22 3d8y n TYR 92 Ca -0.16 0.68 0.12 0.00 3.32 0.00 0.00 57.90 61.86 3d8y n TYR 92 Cb 0.50 -2.27 0.52 0.00 -0.63 0.00 0.00 39.34 37.46 3d8y n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d8y n PRO 93 N 1.11 1.47 -2.52 2.98 -0.04 -1.26 -4.98 135.00 131.76 3d8y n PRO 93 Ca 0.11 -0.70 -0.43 0.00 -0.04 0.00 0.00 63.50 62.45 3d8y n PRO 93 Cb 0.30 -1.41 0.01 0.00 -0.04 0.00 0.00 33.50 32.36 3d8y n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d8y n ASN 94 N -0.11 5.41 -4.71 3.54 4.13 0.02 -4.99 115.26 118.55 3d8y n ASN 94 Ca 0.17 -3.18 -0.42 0.00 1.68 0.00 0.00 54.58 52.83 3d8y n ASN 94 Cb 0.25 -1.43 -0.03 0.00 -1.54 0.00 0.00 39.78 37.03 3d8y n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3d8y s ALA 96 N 1.50 1.91 0.01 0.00 0.00 -1.26 -4.87 121.76 119.05 3d8y s ALA 96 Ca 0.63 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3d8y s ALA 96 Cb -0.34 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.19 3d8y s ALA 96 CO 0.29 0.39 -0.09 0.71 0.00 0.00 0.00 175.76 177.06 3d8y s TYR 97 N -0.19 0.75 -0.09 0.00 1.51 -1.26 -1.52 117.35 116.55 3d8y s TYR 97 Ca -0.01 -0.22 -0.25 0.00 -1.01 0.00 0.00 57.07 55.59 3d8y s TYR 97 Cb -0.12 -0.47 -0.03 0.00 -0.11 0.00 0.00 41.96 41.23 3d8y s TYR 97 CO 0.02 -0.02 0.76 0.21 -1.11 0.00 0.00 175.55 175.42 3d8y s LYS 98 N -0.52 4.41 -0.26 -0.62 2.20 -0.01 -4.60 119.74 120.32 3d8y s LYS 98 Ca 0.01 0.96 -0.12 0.00 -0.36 0.00 0.00 55.97 56.47 3d8y s LYS 98 Cb -0.05 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 3d8y s LYS 98 CO 0.00 -0.06 0.21 0.99 -0.36 0.00 0.00 175.35 176.13 3d8y s THR 99 N 1.21 5.30 -0.21 3.43 2.01 -1.26 -2.40 115.64 123.73 3d8y s THR 99 Ca 0.39 0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 3d8y s THR 99 Cb -0.18 -3.55 0.06 0.00 0.01 0.00 0.00 72.50 68.84 3d8y s THR 99 CO 0.17 0.26 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.45 3d8y s THR 100 N 1.59 1.14 0.15 -0.82 2.01 -0.46 -4.99 115.64 114.26 3d8y s THR 100 Ca 0.09 -0.89 -0.25 0.00 0.31 0.00 0.00 61.69 60.95 3d8y s THR 100 Cb -0.15 -1.45 -0.08 0.00 0.01 0.00 0.00 72.50 70.83 3d8y s THR 100 CO 0.09 -0.08 0.76 -1.58 -0.69 0.00 0.00 174.62 173.12 3d8y s GLN 101 N 1.59 4.53 0.25 4.92 2.00 -1.26 -0.72 119.66 130.97 3d8y s GLN 101 Ca -0.03 1.12 -0.21 0.00 -2.00 0.00 0.00 55.36 54.24 3d8y s GLN 101 Cb -0.17 -3.27 0.03 0.00 0.80 0.00 0.00 33.01 30.40 3d8y s GLN 101 CO -0.07 0.56 0.66 0.00 -0.50 0.00 0.00 175.29 175.94 3d8y s ALA 102 N -1.06 -1.21 -0.29 1.58 0.00 -0.78 -4.99 121.76 115.00 3d8y s ALA 102 Ca 0.35 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.17 3d8y s ALA 102 Cb -0.23 0.87 0.07 0.00 0.00 0.00 0.00 23.12 23.83 3d8y s ALA 102 CO 0.25 -0.95 -0.04 -0.80 0.00 0.00 0.00 175.76 174.22 3d8y s ASN 103 N -2.89 4.62 0.10 0.00 0.01 -1.26 -1.45 114.94 114.07 3d8y s ASN 103 Ca 0.09 -1.59 -0.03 0.00 -0.71 0.00 0.00 52.86 50.62 3d8y s ASN 103 Cb -0.04 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 39.99 3d8y s ASN 103 CO 0.02 -0.26 0.07 -0.54 -1.51 0.00 0.00 177.10 174.88 3d8y s LYS 104 N 1.08 0.82 0.11 -0.60 1.02 -0.66 -4.77 119.74 116.73 3d8y s LYS 104 Ca -0.03 -1.24 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 3d8y s LYS 104 Cb -0.20 0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 37.31 3d8y s LYS 104 CO -0.05 -0.22 1.13 -1.01 -0.92 0.00 0.00 175.35 174.27 3d8y s HIS 105 N -3.96 3.54 0.17 3.18 3.76 -0.21 0.17 115.29 121.94 3d8y s HIS 105 Ca 0.13 1.49 -0.03 0.00 -0.15 0.00 0.00 55.06 56.50 3d8y s HIS 105 Cb 0.07 -3.32 -0.05 0.00 1.11 0.00 0.00 32.58 30.39 3d8y s HIS 105 CO -0.05 -0.81 0.39 0.96 -0.85 0.00 0.00 174.74 174.38 3d8y s ILE 106 N 0.45 5.18 -0.15 0.60 -4.36 -1.26 -1.04 121.20 120.61 3d8y s ILE 106 Ca 0.54 -0.12 0.01 0.00 -0.26 0.00 0.00 60.65 60.82 3d8y s ILE 106 Cb -0.28 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.78 3d8y s ILE 106 CO 0.32 -0.06 -0.18 -0.63 0.24 0.00 0.00 174.94 174.63 3d8y s ILE 107 N -1.76 1.81 0.12 8.37 1.01 0.62 -0.94 121.20 130.43 3d8y s ILE 107 Ca 0.40 -0.80 0.09 0.00 0.00 0.00 0.00 60.65 60.34 3d8y s ILE 107 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3d8y s ILE 107 CO 0.27 0.50 -0.21 0.68 0.00 0.00 0.00 174.94 176.17 3d8y s VAL 108 N 1.25 1.84 -0.07 2.92 -7.23 -0.43 -0.42 120.40 118.26 3d8y s VAL 108 Ca 0.02 -1.66 -0.16 0.00 -1.81 0.00 0.00 61.98 58.37 3d8y s VAL 108 Cb -0.14 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 3d8y s VAL 108 CO -0.09 -0.08 0.40 0.00 -0.31 0.00 0.00 175.10 175.02 3d8y s ALA 109 N -1.31 3.61 0.07 1.32 0.00 -0.30 -0.53 121.76 124.61 3d8y s ALA 109 Ca 0.10 -0.26 0.10 0.00 0.00 0.00 0.00 51.96 51.89 3d8y s ALA 109 Cb -0.09 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 3d8y s ALA 109 CO 0.05 0.26 -0.26 0.00 0.00 0.00 0.00 175.76 175.81 3d8y s GLU 111 N -1.54 1.02 0.00 0.00 2.02 -0.73 -4.89 118.70 114.58 3d8y s GLU 111 Ca 0.13 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.41 3d8y s GLU 111 Cb -0.10 0.45 0.00 0.00 0.10 0.00 0.00 34.13 34.58 3d8y s GLU 111 CO 0.04 -0.39 0.00 0.41 0.02 0.00 0.00 175.26 175.34 3d8y n GLY 112 N -0.13 0.60 2.79 -1.39 0.00 -1.26 -2.13 105.19 103.67 3d8y n GLY 112 Ca -0.16 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.50 3d8y n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d8y s ASN 113 N -0.13 3.87 0.64 1.61 2.47 -1.26 -2.65 114.94 119.49 3d8y s ASN 113 Ca 0.00 -1.46 -0.15 0.00 0.42 0.00 0.00 52.86 51.67 3d8y s ASN 113 Cb 0.00 -0.94 -0.01 0.00 -1.45 0.00 0.00 41.25 38.85 3d8y s ASN 113 CO 0.00 -0.36 1.10 -2.16 -3.72 0.00 0.00 177.10 171.96 3d8y s PRO 114 N 1.56 2.94 -0.60 0.43 0.04 -1.26 -5.11 135.00 133.00 3d8y s PRO 114 Ca 0.05 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.19 3d8y s PRO 114 Cb -0.18 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.43 3d8y s PRO 114 CO -0.17 -1.14 1.13 -0.47 0.04 0.00 0.00 177.00 176.39 3d8y s TYR 115 N -2.34 2.61 0.10 0.56 5.04 -1.09 -4.86 117.35 117.37 3d8y s TYR 115 Ca 0.66 0.21 0.02 0.00 -2.44 0.00 0.00 57.07 55.52 3d8y s TYR 115 Cb -0.20 -4.41 -0.04 0.00 0.35 0.00 0.00 41.96 37.66 3d8y s TYR 115 CO 0.40 -1.60 -0.07 0.14 -1.34 0.00 0.00 175.55 173.08 3d8y s VAL 116 N 4.78 0.76 0.22 3.14 -7.23 -0.91 -4.87 120.40 116.29 3d8y s VAL 116 Ca 0.38 -1.89 -0.31 0.00 -1.81 0.00 0.00 61.98 58.35 3d8y s VAL 116 Cb -0.09 -1.63 -0.10 0.00 0.56 0.00 0.00 36.38 35.11 3d8y s VAL 116 CO 0.22 -0.82 1.52 -2.84 -0.31 0.00 0.00 175.10 172.87 3d8y s PRO 117 N -3.66 4.22 0.00 4.82 0.02 -1.26 -1.77 135.00 137.37 3d8y s PRO 117 Ca 0.11 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3d8y s PRO 117 Cb 0.04 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3d8y s PRO 117 CO -0.04 -0.53 0.00 1.33 -0.33 0.00 0.00 177.00 177.43 3d8y n VAL 118 N 2.96 0.00 -3.80 3.83 0.24 0.47 -4.46 118.33 117.56 3d8y n VAL 118 Ca 0.10 -0.30 -0.12 0.00 -2.04 0.00 0.00 64.34 61.97 3d8y n VAL 118 Cb 0.39 0.86 -0.10 0.00 -1.47 0.00 0.00 33.84 33.51 3d8y n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3d8y s HIS 119 N -0.97 -0.16 -0.29 6.34 3.76 -1.09 -4.62 115.29 118.26 3d8y s HIS 119 Ca 0.00 0.35 -0.14 0.00 -0.15 0.00 0.00 55.06 55.12 3d8y s HIS 119 Cb 0.00 0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.71 3d8y s HIS 119 CO 0.00 -0.24 0.31 0.12 -0.85 0.00 0.00 174.74 174.08 3d8y s PHE 120 N -0.65 3.23 -0.21 1.40 5.36 -1.26 -1.15 117.98 124.70 3d8y s PHE 120 Ca -0.07 0.21 -0.12 0.00 -0.96 0.00 0.00 56.93 55.98 3d8y s PHE 120 Cb -0.04 -2.53 -0.19 0.00 -0.34 0.00 0.00 43.02 39.92 3d8y s PHE 120 CO 0.02 -0.25 0.05 -3.47 -1.46 0.00 0.00 175.22 170.11 3d8y n ASP 121 N 5.25 1.98 -3.63 6.13 2.03 0.44 -4.96 116.55 123.78 3d8y n ASP 121 Ca -0.11 0.25 -0.03 0.00 0.52 0.00 0.00 54.79 55.43 3d8y n ASP 121 Cb 0.51 -0.81 -0.01 0.00 -0.72 0.00 0.00 41.12 40.08 3d8y n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d8y s ALA 122 N -2.48 -1.98 0.05 -1.67 0.00 -1.03 -4.94 121.76 109.71 3d8y s ALA 122 Ca -0.30 0.81 0.07 0.00 0.00 0.00 0.00 51.96 52.53 3d8y s ALA 122 Cb 0.09 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3d8y s ALA 122 CO 0.62 -0.88 -0.18 -1.54 0.00 0.00 0.00 175.76 173.77 3d8y s SER 123 N -2.70 2.19 0.00 0.00 1.04 -1.26 -0.27 113.70 112.69 3d8y s SER 123 Ca 0.11 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3d8y s SER 123 Cb 0.01 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.97 3d8y s SER 123 CO -0.03 0.10 0.07 1.33 0.98 0.00 0.00 173.24 175.69