#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7y s GLU 2 N 0.00 0.82 0.79 1.64 2.12 -1.26 -5.13 118.70 117.68 3i7y s GLU 2 Ca 0.00 -0.26 -0.15 0.00 0.36 0.00 0.00 54.97 54.93 3i7y s GLU 2 Cb 0.00 -1.70 0.02 0.00 0.26 0.00 0.00 34.13 32.71 3i7y s GLU 2 CO 0.00 -0.48 0.76 0.25 -0.54 0.00 0.00 175.26 175.25 3i7y n THR 3 N 5.05 1.63 -0.23 -1.70 -2.24 -1.26 -4.73 114.28 110.80 3i7y n THR 3 Ca -0.09 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.35 3i7y n THR 3 Cb 0.48 -0.90 0.05 0.00 -2.10 0.00 0.00 70.33 67.87 3i7y n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i7y h ALA 4 N -0.76 0.84 -0.77 6.98 0.00 -1.97 -1.43 119.26 122.15 3i7y h ALA 4 Ca -0.46 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3i7y h ALA 4 Cb 1.32 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3i7y h ALA 4 CO 0.42 0.23 0.32 0.00 0.00 0.00 0.00 179.25 180.22 3i7y h ALA 5 N 1.25 1.10 -0.20 0.00 0.00 -1.89 -1.62 119.26 117.91 3i7y h ALA 5 Ca 0.25 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3i7y h ALA 5 Cb -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3i7y h ALA 5 CO -0.07 0.64 -0.47 0.00 0.00 0.00 0.00 179.25 179.35 3i7y h ALA 6 N 1.23 0.81 -0.39 0.00 0.00 -1.81 -2.42 119.26 116.68 3i7y h ALA 6 Ca 0.26 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3i7y h ALA 6 Cb 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i7y h ALA 6 CO -0.02 0.66 0.10 -0.22 0.00 0.00 0.00 179.25 179.77 3i7y h LYS 7 N 0.41 0.62 -0.61 0.00 3.64 -0.90 -1.16 116.57 118.56 3i7y h LYS 7 Ca 0.02 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3i7y h LYS 7 Cb 0.98 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 3i7y h LYS 7 CO 0.09 0.64 0.40 0.35 -2.27 0.00 0.00 179.45 178.65 3i7y h PHE 8 N 0.48 0.77 -0.55 1.91 3.04 -1.19 0.98 116.94 122.38 3i7y h PHE 8 Ca 0.12 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.10 3i7y h PHE 8 Cb 0.29 -0.26 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 3i7y h PHE 8 CO 0.01 0.49 0.37 0.93 -2.02 0.00 0.00 178.31 178.09 3i7y h GLU 9 N 0.83 0.72 -0.29 1.11 5.08 -1.18 0.14 114.58 120.99 3i7y h GLU 9 Ca 0.22 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3i7y h GLU 9 Cb -0.08 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3i7y h GLU 9 CO -0.05 0.48 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.29 3i7y h ARG 10 N 0.75 0.56 -0.03 2.33 2.43 -0.70 -2.07 114.38 117.64 3i7y h ARG 10 Ca 0.20 -0.21 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3i7y h ARG 10 Cb -0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3i7y h ARG 10 CO -0.05 0.75 -0.77 1.96 -1.51 0.00 0.00 179.97 180.35 3i7y h GLN 11 N 0.32 0.23 0.00 0.20 4.20 -0.64 -3.41 115.11 116.02 3i7y h GLN 11 Ca 0.08 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3i7y h GLN 11 Cb 0.53 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3i7y h GLN 11 CO 0.03 0.89 -0.30 0.72 -0.67 0.00 0.00 178.83 179.50 3i7y n HIS 12 N -3.75 0.00 -3.13 2.96 8.25 0.48 -4.67 115.22 115.36 3i7y n HIS 12 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 3i7y n HIS 12 Cb 0.73 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.78 3i7y n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3i7y s MET 13 N -1.11 4.37 -0.44 -0.41 -1.94 -0.78 -0.12 119.30 118.87 3i7y s MET 13 Ca 0.00 0.93 0.06 0.00 -1.71 0.00 0.00 55.69 54.97 3i7y s MET 13 Cb 0.00 -3.22 0.18 0.00 2.01 0.00 0.00 34.83 33.79 3i7y s MET 13 CO 0.00 0.59 0.57 0.34 -0.01 0.00 0.00 175.02 176.51 3i7y s ASP 14 N -1.17 -0.48 0.00 3.03 2.15 -0.33 -4.85 116.67 115.02 3i7y s ASP 14 Ca 0.33 -1.59 0.25 0.00 0.43 0.00 0.00 52.55 51.97 3i7y s ASP 14 Cb -0.21 1.30 0.50 0.00 -0.30 0.00 0.00 42.92 44.21 3i7y s ASP 14 CO 0.22 -0.15 1.41 -1.20 -0.17 0.00 0.00 175.17 175.28 3i7y n SER 15 N 3.68 0.61 0.22 -0.34 7.64 -1.26 -3.96 113.62 120.20 3i7y n SER 15 Ca 0.16 -0.38 0.06 0.00 1.01 0.00 0.00 58.87 59.72 3i7y n SER 15 Cb 0.53 0.28 0.49 0.00 -1.01 0.00 0.00 64.21 64.49 3i7y n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3i7y h SER 16 N 0.17 0.00 -3.02 6.43 4.64 -1.94 -3.44 113.55 116.40 3i7y h SER 16 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 3i7y h SER 16 Cb 0.50 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.43 3i7y h SER 16 CO 0.00 0.26 -0.77 0.42 -0.87 0.00 0.00 176.83 175.87 3i7y s THR 17 N -4.22 2.08 -0.79 2.95 -4.23 -1.26 -5.03 115.64 105.13 3i7y s THR 17 Ca -0.03 -2.15 0.23 0.00 -1.18 0.00 0.00 61.69 58.56 3i7y s THR 17 Cb 0.14 -2.07 -0.10 0.00 1.34 0.00 0.00 72.50 71.80 3i7y s THR 17 CO 0.68 -0.38 1.11 -1.54 -0.54 0.00 0.00 174.62 173.95 3i7y n SER 18 N -0.14 0.66 -3.56 3.99 3.41 -1.26 -4.69 113.62 112.02 3i7y n SER 18 Ca -0.09 -0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.05 3i7y n SER 18 Cb 0.59 0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 65.19 3i7y n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7y s ALA 19 N -3.10 -1.93 -0.07 7.33 0.00 -1.26 -4.82 121.76 117.90 3i7y s ALA 19 Ca 0.07 1.45 -0.31 0.00 0.00 0.00 0.00 51.96 53.17 3i7y s ALA 19 Cb 0.16 -0.39 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 3i7y s ALA 19 CO 0.79 -0.43 2.02 0.00 0.00 0.00 0.00 175.76 178.13 3i7y n ALA 20 N 0.39 1.42 -2.60 0.00 0.00 -1.26 -4.94 120.51 113.52 3i7y n ALA 20 Ca -0.08 0.12 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 3i7y n ALA 20 Cb 0.59 -2.68 -0.06 0.00 0.00 0.00 0.00 19.45 17.29 3i7y n ALA 20 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i7y s SER 21 N 5.35 6.51 0.20 0.00 0.01 -1.26 -4.94 113.70 119.58 3i7y s SER 21 Ca 0.94 0.42 0.00 0.00 1.31 0.00 0.00 55.95 58.61 3i7y s SER 21 Cb -0.50 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.39 3i7y s SER 21 CO 0.43 -0.53 0.00 -1.54 0.41 0.00 0.00 173.24 172.02 3i7y n SER 22 N 5.97 -4.71 -0.42 2.44 3.41 -1.26 -3.81 113.62 115.25 3i7y n SER 22 Ca -0.00 0.38 0.14 0.00 -0.26 0.00 0.00 58.87 59.13 3i7y n SER 22 Cb 0.49 -2.43 0.52 0.00 -0.26 0.00 0.00 64.21 62.53 3i7y n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i7y n SER 23 N -2.96 1.35 -1.08 4.04 3.41 -1.26 -3.63 113.62 113.49 3i7y n SER 23 Ca -0.00 -1.37 0.11 0.00 -0.26 0.00 0.00 58.87 57.35 3i7y n SER 23 Cb 0.36 0.02 0.20 0.00 -0.26 0.00 0.00 64.21 64.53 3i7y n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i7y n ASN 24 N -0.02 3.35 0.03 4.04 5.15 -1.26 -4.44 115.26 122.11 3i7y n ASN 24 Ca 0.18 -1.96 -0.10 0.00 -0.60 0.00 0.00 54.58 52.10 3i7y n ASN 24 Cb 0.34 -0.25 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 3i7y n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3i7y h TYR 25 N 4.10 -0.33 -0.30 1.20 5.03 -1.66 -2.62 116.97 122.39 3i7y h TYR 25 Ca 0.00 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.26 3i7y h TYR 25 Cb 0.93 0.15 -0.02 0.00 1.55 0.00 0.00 36.73 39.35 3i7y h TYR 25 CO 0.25 -0.19 -0.09 0.00 -1.32 0.00 0.00 178.16 176.80 3i7y h ASN 27 N 0.47 0.85 0.02 0.00 2.35 -1.77 -0.28 115.58 117.21 3i7y h ASN 27 Ca 0.09 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3i7y h ASN 27 Cb 0.45 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3i7y h ASN 27 CO 0.02 0.76 -0.13 -0.61 -1.65 0.00 0.00 177.43 175.83 3i7y h GLN 28 N 0.91 0.06 -0.73 0.81 -0.00 -1.10 -3.15 115.11 111.91 3i7y h GLN 28 Ca 0.21 -0.08 -0.06 0.00 -0.00 0.00 0.00 58.65 58.71 3i7y h GLN 28 Cb 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.66 3i7y h GLN 28 CO -0.02 0.97 0.20 0.52 0.00 0.00 0.00 178.83 180.51 3i7y h MET 29 N -0.81 1.15 -0.18 1.69 2.86 -0.68 0.10 114.93 119.06 3i7y h MET 29 Ca -0.02 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.31 3i7y h MET 29 Cb 1.03 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3i7y h MET 29 CO 0.02 0.99 -0.09 0.52 1.06 0.00 0.00 176.91 179.42 3i7y h MET 30 N 1.09 0.27 0.10 1.72 2.86 -1.19 -1.28 114.93 118.51 3i7y h MET 30 Ca 0.23 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3i7y h MET 30 Cb 0.34 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3i7y h MET 30 CO -0.00 0.38 -0.05 -0.22 1.06 0.00 0.00 176.91 178.08 3i7y h LYS 31 N 0.26 -0.13 0.00 1.72 1.63 -1.36 0.55 116.57 119.25 3i7y h LYS 31 Ca 0.06 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 3i7y h LYS 31 Cb 0.33 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3i7y h LYS 31 CO 0.02 0.37 -0.07 0.66 -3.45 0.00 0.00 179.45 176.98 3i7y h SER 32 N -0.90 0.00 -0.20 4.20 4.64 -0.75 -0.96 113.55 119.57 3i7y h SER 32 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i7y h SER 32 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3i7y h SER 32 CO 0.02 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 176.59 3i7y n ARG 33 N -3.56 1.92 -2.82 4.77 5.12 -0.49 -4.93 116.66 116.66 3i7y n ARG 33 Ca -0.02 -1.38 -0.15 0.00 -1.93 0.00 0.00 57.85 54.38 3i7y n ARG 33 Cb 0.19 -1.42 0.03 0.00 -1.16 0.00 0.00 32.46 30.09 3i7y n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3i7y n ASN 34 N 0.61 -4.58 -0.80 0.55 3.02 -0.36 -4.83 115.26 108.86 3i7y n ASN 34 Ca 0.17 -0.21 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 3i7y n ASN 34 Cb 0.40 -3.41 0.30 0.00 -0.61 0.00 0.00 39.78 36.46 3i7y n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i7y n LEU 35 N -2.82 2.45 -0.28 3.41 4.77 0.18 -3.81 117.00 120.90 3i7y n LEU 35 Ca -0.06 -0.94 0.03 0.00 -0.03 0.00 0.00 56.01 55.00 3i7y n LEU 35 Cb 0.57 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.60 3i7y n LEU 35 CO 0.32 0.47 0.35 0.35 -1.33 0.00 0.00 177.39 177.56 3i7y n THR 36 N 0.86 0.56 0.04 -5.08 -2.24 -1.20 -2.43 114.28 104.80 3i7y n THR 36 Ca 0.17 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 3i7y n THR 36 Cb 0.48 0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 69.01 3i7y n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3i7y h LYS 37 N 0.00 -0.07 0.00 -0.78 3.64 -1.88 -3.35 116.57 114.13 3i7y h LYS 37 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 3i7y h LYS 37 Cb 1.17 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3i7y h LYS 37 CO 0.00 0.19 -1.90 -0.25 -2.27 0.00 0.00 179.45 175.22 3i7y n ASP 38 N -5.00 0.96 -3.69 4.20 9.92 -1.26 -5.05 116.55 116.63 3i7y n ASP 38 Ca -0.08 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.13 3i7y n ASP 38 Cb 0.16 1.55 -0.02 0.00 -0.64 0.00 0.00 41.12 42.17 3i7y n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i7y s ARG 39 N -2.99 1.17 -0.26 -1.24 1.04 -1.26 -5.06 118.95 110.36 3i7y s ARG 39 Ca -0.07 -0.60 -0.24 0.00 -1.04 0.00 0.00 55.73 53.78 3i7y s ARG 39 Cb 0.09 0.43 -0.01 0.00 -2.04 0.00 0.00 34.95 33.43 3i7y s ARG 39 CO 0.72 -0.53 0.80 0.00 -0.04 0.00 0.00 175.30 176.25 3i7y s LYS 41 N 2.83 4.20 0.10 0.00 2.47 -1.02 -4.90 119.74 123.43 3i7y s LYS 41 Ca 0.33 2.17 -0.22 0.00 -1.56 0.00 0.00 55.97 56.70 3i7y s LYS 41 Cb -0.15 -3.86 -0.10 0.00 -1.46 0.00 0.00 37.83 32.26 3i7y s LYS 41 CO 0.08 -0.79 1.73 -1.00 0.16 0.00 0.00 175.35 175.53 3i7y h PRO 42 N 9.07 0.00 -4.12 4.03 0.13 -1.94 -3.42 132.00 135.76 3i7y h PRO 42 Ca -0.39 -0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.41 3i7y h PRO 42 Cb 1.18 -0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.01 3i7y h PRO 42 CO 0.94 0.00 -0.75 0.08 -0.23 0.00 0.00 178.00 178.04 3i7y s VAL 43 N -6.19 0.35 -0.15 1.56 1.01 -1.26 -0.89 120.40 114.83 3i7y s VAL 43 Ca -0.13 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 3i7y s VAL 43 Cb 0.08 -0.33 0.04 0.00 0.00 0.00 0.00 36.38 36.16 3i7y s VAL 43 CO 0.67 0.13 0.45 0.21 0.00 0.00 0.00 175.10 176.55 3i7y s ASN 44 N 0.22 -0.45 -0.06 3.32 2.47 0.14 -5.01 114.94 115.56 3i7y s ASN 44 Ca -0.02 0.82 0.03 0.00 0.42 0.00 0.00 52.86 54.11 3i7y s ASN 44 Cb -0.06 0.85 -0.03 0.00 -1.45 0.00 0.00 41.25 40.57 3i7y s ASN 44 CO -0.00 -0.20 -0.13 -0.89 -3.72 0.00 0.00 177.10 172.15 3i7y s THR 45 N 0.03 3.17 -0.08 -5.21 2.01 -1.26 -0.16 115.64 114.14 3i7y s THR 45 Ca -0.02 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.34 3i7y s THR 45 Cb -0.03 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 3i7y s THR 45 CO 0.01 0.59 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.99 3i7y s PHE 46 N -0.67 2.64 -0.15 4.92 0.08 0.69 -4.21 117.98 121.28 3i7y s PHE 46 Ca 0.10 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.61 3i7y s PHE 46 Cb -0.11 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.62 3i7y s PHE 46 CO 0.01 -0.07 0.01 0.08 -0.10 0.00 0.00 175.22 175.15 3i7y s VAL 47 N -0.22 4.33 -0.95 -0.44 1.01 0.83 0.61 120.40 125.58 3i7y s VAL 47 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 3i7y s VAL 47 Cb -0.13 -2.90 0.30 0.00 0.00 0.00 0.00 36.38 33.65 3i7y s VAL 47 CO 0.03 0.51 1.40 1.41 0.00 0.00 0.00 175.10 178.45 3i7y n HIS 48 N 3.22 2.74 -4.02 5.22 -0.00 0.23 -1.19 115.22 121.42 3i7y n HIS 48 Ca -0.17 -2.95 -0.09 0.00 -0.00 0.00 0.00 57.72 54.51 3i7y n HIS 48 Cb 0.53 -1.06 -0.09 0.00 -0.00 0.00 0.00 29.99 29.37 3i7y n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3i7y s GLU 49 N -3.19 0.88 0.88 -0.41 0.41 -1.26 -4.43 118.70 111.59 3i7y s GLU 49 Ca 0.36 -1.21 -0.12 0.00 -0.41 0.00 0.00 54.97 53.59 3i7y s GLU 49 Cb 0.12 0.29 0.10 0.00 -1.78 0.00 0.00 34.13 32.86 3i7y s GLU 49 CO 0.01 -0.26 1.00 -1.13 -0.49 0.00 0.00 175.26 174.39 3i7y n SER 50 N -0.06 0.03 -0.21 -0.19 3.41 -1.26 -4.24 113.62 111.09 3i7y n SER 50 Ca -0.10 0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 58.89 3i7y n SER 50 Cb 0.63 -1.43 0.06 0.00 -0.26 0.00 0.00 64.21 63.21 3i7y n SER 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i7y h LEU 51 N -1.48 1.02 -0.59 1.04 5.85 -1.98 -2.21 115.31 116.96 3i7y h LEU 51 Ca -0.44 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.02 3i7y h LEU 51 Cb 1.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3i7y h LEU 51 CO 0.41 1.04 0.37 0.00 -0.34 0.00 0.00 178.44 179.92 3i7y h ALA 52 N 1.07 0.75 -0.84 1.25 0.00 -1.99 -0.00 119.26 119.50 3i7y h ALA 52 Ca 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3i7y h ALA 52 Cb 0.48 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3i7y h ALA 52 CO 0.02 0.22 0.42 -0.44 0.00 0.00 0.00 179.25 179.47 3i7y h ASP 53 N 0.80 1.09 -0.08 0.00 5.19 -1.83 0.31 116.42 121.90 3i7y h ASP 53 Ca 0.21 -0.13 -0.18 0.00 -0.62 0.00 0.00 57.03 56.32 3i7y h ASP 53 Cb -0.04 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.19 3i7y h ASP 53 CO -0.04 0.91 -0.59 0.58 -3.12 0.00 0.00 179.24 176.98 3i7y h VAL 54 N 1.20 1.30 -0.49 -1.35 2.07 -1.03 -3.00 116.25 114.94 3i7y h VAL 54 Ca 0.29 -1.83 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 3i7y h VAL 54 Cb 0.10 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3i7y h VAL 54 CO -0.04 0.58 -0.12 1.56 0.02 0.00 0.00 177.57 179.57 3i7y h GLN 55 N 0.51 0.93 -0.12 1.57 4.20 -0.76 -2.50 115.11 118.94 3i7y h GLN 55 Ca -0.00 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.41 3i7y h GLN 55 Cb 1.17 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 3i7y h GLN 55 CO 0.12 0.99 0.26 0.00 -0.67 0.00 0.00 178.83 179.53 3i7y h ALA 56 N 1.03 1.54 0.00 3.87 0.00 -0.80 -0.18 119.26 124.72 3i7y h ALA 56 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3i7y h ALA 56 Cb 0.66 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i7y h ALA 56 CO 0.05 -0.32 -0.02 0.28 0.00 0.00 0.00 179.25 179.24 3i7y h VAL 57 N 0.00 0.35 0.00 0.00 2.07 -1.42 -1.66 116.25 115.60 3i7y h VAL 57 Ca 0.06 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3i7y h VAL 57 Cb 0.57 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3i7y h VAL 57 CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3i7y n SER 59 N -1.39 1.95 0.00 0.00 3.41 -0.62 -5.02 113.62 111.95 3i7y n SER 59 Ca 0.04 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 3i7y n SER 59 Cb 0.11 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3i7y n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7y n GLN 60 N -1.18 3.89 -1.60 4.33 6.02 -0.71 -5.01 117.38 123.12 3i7y n GLN 60 Ca 0.15 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.67 3i7y n GLN 60 Cb 0.67 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.89 3i7y n GLN 60 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3i7y n LYS 61 N 0.00 1.92 -2.85 -1.09 3.00 -1.15 -4.81 118.16 113.18 3i7y n LYS 61 Ca 0.00 0.62 -0.43 0.00 -0.00 0.00 0.00 58.31 58.50 3i7y n LYS 61 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 35.03 32.15 3i7y n LYS 61 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3i7y s ASN 62 N 6.28 6.59 0.30 3.14 2.47 -1.26 0.41 114.94 132.86 3i7y s ASN 62 Ca 0.99 0.38 0.08 0.00 0.42 0.00 0.00 52.86 54.73 3i7y s ASN 62 Cb -0.59 -2.44 -0.06 0.00 -1.45 0.00 0.00 41.25 36.71 3i7y s ASN 62 CO 0.45 -0.87 -0.09 0.68 -3.72 0.00 0.00 177.10 173.54 3i7y s VAL 63 N 3.44 1.94 0.59 -5.21 -7.23 0.34 -4.96 120.40 109.31 3i7y s VAL 63 Ca 0.36 -2.19 -0.17 0.00 -1.81 0.00 0.00 61.98 58.17 3i7y s VAL 63 Cb -0.12 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3i7y s VAL 63 CO 0.20 -0.30 1.10 0.00 -0.31 0.00 0.00 175.10 175.80 3i7y s ALA 64 N -2.82 2.63 0.62 1.32 0.00 -1.26 -2.89 121.76 119.37 3i7y s ALA 64 Ca 0.30 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.89 3i7y s ALA 64 Cb 0.02 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.89 3i7y s ALA 64 CO 0.13 -0.92 0.87 0.00 0.00 0.00 0.00 175.76 175.85 3i7y h LYS 66 N -0.20 0.91 0.00 0.00 3.11 -1.95 -2.62 116.57 115.81 3i7y h LYS 66 Ca -0.40 -0.27 0.00 0.00 -2.81 0.00 0.00 60.65 57.16 3i7y h LYS 66 Cb 1.29 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 3i7y h LYS 66 CO 0.49 0.91 0.00 0.27 -2.81 0.00 0.00 179.45 178.31 3i7y n ASN 67 N -4.19 0.00 0.00 4.20 2.04 -1.26 -4.90 115.26 111.15 3i7y n ASN 67 Ca 0.03 0.28 0.00 0.00 -0.44 0.00 0.00 54.58 54.45 3i7y n ASN 67 Cb 0.33 -0.43 0.00 0.00 -2.53 0.00 0.00 39.78 37.16 3i7y n ASN 67 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i7y n GLY 68 N 1.35 0.59 3.77 4.83 0.00 -0.99 -5.07 105.19 109.67 3i7y n GLY 68 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3i7y n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i7y s GLN 69 N -0.95 4.50 -0.30 1.61 -0.21 -1.26 -4.73 119.66 118.32 3i7y s GLN 69 Ca 0.00 1.70 0.04 0.00 0.02 0.00 0.00 55.36 57.12 3i7y s GLN 69 Cb 0.00 -2.99 0.51 0.00 1.00 0.00 0.00 33.01 31.53 3i7y s GLN 69 CO 0.00 0.11 1.62 0.25 -2.12 0.00 0.00 175.29 175.16 3i7y n THR 70 N 0.80 2.50 -1.18 -0.19 -2.24 -1.26 -1.12 114.28 111.59 3i7y n THR 70 Ca 0.01 -1.33 0.06 0.00 -2.27 0.00 0.00 64.05 60.52 3i7y n THR 70 Cb 0.46 -0.56 0.20 0.00 -2.10 0.00 0.00 70.33 68.34 3i7y n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i7y n ASN 71 N -0.48 2.88 -4.89 3.42 6.94 -1.26 -4.89 115.26 116.98 3i7y n ASN 71 Ca 0.39 -3.30 -0.31 0.00 -0.02 0.00 0.00 54.58 51.34 3i7y n ASN 71 Cb 1.28 -0.53 -0.05 0.00 -2.36 0.00 0.00 39.78 38.13 3i7y n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i7y s TYR 73 N -1.76 0.70 -0.15 0.00 1.51 0.75 -0.51 117.35 117.89 3i7y s TYR 73 Ca 0.44 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 56.27 3i7y s TYR 73 Cb -0.12 -0.44 -0.02 0.00 -0.11 0.00 0.00 41.96 41.27 3i7y s TYR 73 CO 0.24 -0.02 -0.07 -1.14 -1.11 0.00 0.00 175.55 173.45 3i7y s GLN 74 N -0.50 3.56 0.27 -0.62 0.74 0.16 -0.65 119.66 122.63 3i7y s GLN 74 Ca 0.01 -0.58 -0.30 0.00 0.05 0.00 0.00 55.36 54.54 3i7y s GLN 74 Cb -0.04 -2.83 -0.10 0.00 1.10 0.00 0.00 33.01 31.14 3i7y s GLN 74 CO 0.00 0.21 1.46 -1.54 -0.55 0.00 0.00 175.29 174.87 3i7y s SER 75 N 0.41 6.60 0.24 6.67 1.04 0.39 -2.96 113.70 126.08 3i7y s SER 75 Ca -0.06 2.74 -0.07 0.00 0.48 0.00 0.00 55.95 59.05 3i7y s SER 75 Cb -0.15 -2.63 0.22 0.00 0.10 0.00 0.00 66.02 63.56 3i7y s SER 75 CO 0.04 -0.73 1.88 1.88 0.98 0.00 0.00 173.24 177.29 3i7y h TYR 76 N 4.68 1.22 -1.92 5.02 0.05 -1.95 -3.42 116.97 120.65 3i7y h TYR 76 Ca -0.47 -0.00 -0.53 0.00 0.05 0.00 0.00 58.73 57.78 3i7y h TYR 76 Cb 1.22 -0.40 -0.07 0.00 1.01 0.00 0.00 36.73 38.49 3i7y h TYR 76 CO 0.59 0.81 -0.53 -1.54 -1.05 0.00 0.00 178.16 176.44 3i7y s SER 77 N -6.16 4.84 0.52 3.88 1.04 -1.26 -5.06 113.70 111.51 3i7y s SER 77 Ca -0.13 -0.67 -0.19 0.00 0.48 0.00 0.00 55.95 55.44 3i7y s SER 77 Cb 0.17 -0.83 -0.07 0.00 0.10 0.00 0.00 66.02 65.39 3i7y s SER 77 CO 0.82 -0.27 1.06 0.42 0.98 0.00 0.00 173.24 176.25 3i7y s THR 78 N -2.37 3.67 0.17 2.02 -4.23 -1.26 -4.57 115.64 109.07 3i7y s THR 78 Ca 0.37 0.98 0.08 0.00 -1.18 0.00 0.00 61.69 61.94 3i7y s THR 78 Cb -0.04 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 3i7y s THR 78 CO 0.23 -0.28 -0.15 -0.04 -0.54 0.00 0.00 174.62 173.84 3i7y s MET 79 N -3.43 1.24 -0.23 3.99 -1.94 0.08 -4.85 119.30 114.15 3i7y s MET 79 Ca 0.67 -1.45 -0.29 0.00 -1.71 0.00 0.00 55.69 52.91 3i7y s MET 79 Cb -0.18 -1.13 -0.01 0.00 2.01 0.00 0.00 34.83 35.52 3i7y s MET 79 CO 0.25 0.21 1.39 0.45 -0.01 0.00 0.00 175.02 177.31 3i7y s SER 80 N -2.92 6.67 0.04 3.03 0.15 -1.26 -1.87 113.70 117.55 3i7y s SER 80 Ca 0.17 1.51 0.04 0.00 0.70 0.00 0.00 55.95 58.38 3i7y s SER 80 Cb -0.03 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.72 3i7y s SER 80 CO 0.06 -1.03 -0.13 -0.63 1.20 0.00 0.00 173.24 172.71 3i7y s ILE 81 N 4.31 1.00 -0.11 6.45 1.01 0.44 0.76 121.20 135.07 3i7y s ILE 81 Ca 0.61 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3i7y s ILE 81 Cb -0.21 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.34 3i7y s ILE 81 CO 0.23 -0.07 -0.17 -0.89 0.00 0.00 0.00 174.94 174.04 3i7y s THR 82 N -0.94 1.59 -0.24 2.92 2.01 0.20 -1.48 115.64 119.70 3i7y s THR 82 Ca -0.00 -0.71 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 3i7y s THR 82 Cb -0.08 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 3i7y s THR 82 CO 0.01 0.46 0.23 -0.62 -0.69 0.00 0.00 174.62 174.01 3i7y s ASP 83 N 0.87 6.17 -0.23 3.53 3.68 -0.39 -0.22 116.67 130.08 3i7y s ASP 83 Ca -0.09 0.18 -0.04 0.00 2.13 0.00 0.00 52.55 54.74 3i7y s ASP 83 Cb -0.15 -2.14 -0.00 0.00 -1.45 0.00 0.00 42.92 39.17 3i7y s ASP 83 CO -0.00 -0.00 -0.03 0.00 0.13 0.00 0.00 175.17 175.27 3i7y s ARG 85 N 1.46 1.24 0.32 0.00 0.52 -1.11 -0.68 118.95 120.71 3i7y s ARG 85 Ca 0.05 -0.52 -0.29 0.00 -0.52 0.00 0.00 55.73 54.44 3i7y s ARG 85 Cb -0.15 -1.18 -0.12 0.00 0.52 0.00 0.00 34.95 34.02 3i7y s ARG 85 CO -0.03 0.30 1.49 0.39 0.02 0.00 0.00 175.30 177.47 3i7y n GLU 86 N 2.80 2.52 -2.41 3.54 1.02 -0.07 -0.41 120.64 127.62 3i7y n GLU 86 Ca -0.15 0.89 -0.27 0.00 -0.02 0.00 0.00 57.16 57.61 3i7y n GLU 86 Cb 0.55 -2.61 0.02 0.00 -0.02 0.00 0.00 31.44 29.38 3i7y n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i7y s THR 87 N -0.55 3.98 0.61 2.62 -4.23 -0.47 -4.80 115.64 112.80 3i7y s THR 87 Ca 0.60 0.10 0.30 0.00 -1.18 0.00 0.00 61.69 61.50 3i7y s THR 87 Cb -0.52 -3.56 0.36 0.00 1.34 0.00 0.00 72.50 70.11 3i7y s THR 87 CO 0.56 -0.59 2.00 1.23 -0.54 0.00 0.00 174.62 177.28 3i7y h GLY 88 N -0.10 0.00 -5.88 3.99 0.00 -1.94 -2.79 103.07 96.36 3i7y h GLY 88 Ca -0.46 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.15 3i7y h GLY 88 CO 0.61 0.00 0.35 1.44 0.00 0.00 0.00 176.54 178.94 3i7y n SER 89 N -3.51 6.18 -3.89 0.19 7.64 -1.26 -4.97 113.62 113.99 3i7y n SER 89 Ca 0.03 -3.68 -0.27 0.00 1.01 0.00 0.00 58.87 55.96 3i7y n SER 89 Cb 0.45 -0.92 -0.17 0.00 -1.01 0.00 0.00 64.21 62.55 3i7y n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i7y s SER 90 N -2.21 2.24 -0.03 6.43 0.15 -1.05 -4.60 113.70 114.62 3i7y s SER 90 Ca 0.43 -0.34 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 3i7y s SER 90 Cb 0.22 -0.82 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 3i7y s SER 90 CO -0.13 -0.13 0.05 -0.75 1.20 0.00 0.00 173.24 173.48 3i7y s LYS 91 N 1.72 -0.06 0.29 5.44 2.47 -0.94 -4.87 119.74 123.78 3i7y s LYS 91 Ca 0.04 0.32 -0.29 0.00 -1.56 0.00 0.00 55.97 54.48 3i7y s LYS 91 Cb -0.13 -0.40 -0.13 0.00 -1.46 0.00 0.00 37.83 35.71 3i7y s LYS 91 CO -0.08 -0.27 1.30 0.98 0.16 0.00 0.00 175.35 177.44 3i7y n TYR 92 N 4.87 2.09 0.96 4.03 9.36 -1.26 0.12 117.16 137.34 3i7y n TYR 92 Ca -0.13 0.53 0.04 0.00 3.32 0.00 0.00 57.90 61.66 3i7y n TYR 92 Cb 0.50 -2.41 0.13 0.00 -0.63 0.00 0.00 39.34 36.93 3i7y n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i7y n PRO 93 N 1.19 1.80 -2.64 2.98 -0.04 -1.26 -4.96 135.00 132.07 3i7y n PRO 93 Ca 0.08 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.11 3i7y n PRO 93 Cb 0.33 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 3i7y n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i7y n ASN 94 N 0.28 6.29 -4.73 3.54 4.13 0.34 -5.00 115.26 120.11 3i7y n ASN 94 Ca 0.09 -3.33 -0.41 0.00 1.68 0.00 0.00 54.58 52.61 3i7y n ASN 94 Cb 0.31 -1.33 -0.04 0.00 -1.54 0.00 0.00 39.78 37.18 3i7y n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i7y s ALA 96 N 0.23 1.52 0.14 0.00 0.00 -1.26 -4.96 121.76 117.44 3i7y s ALA 96 Ca 0.52 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.84 3i7y s ALA 96 Cb -0.29 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 3i7y s ALA 96 CO 0.33 0.29 -0.14 0.71 0.00 0.00 0.00 175.76 176.95 3i7y s TYR 97 N -0.03 1.49 -0.18 0.00 2.02 -1.26 -1.36 117.35 118.01 3i7y s TYR 97 Ca -0.02 -0.57 -0.06 0.00 -0.37 0.00 0.00 57.07 56.04 3i7y s TYR 97 Cb -0.11 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.66 3i7y s TYR 97 CO 0.02 0.19 0.04 0.21 -1.57 0.00 0.00 175.55 174.44 3i7y s LYS 98 N -2.96 3.87 -0.29 -0.62 2.20 0.45 -4.66 119.74 117.73 3i7y s LYS 98 Ca 0.13 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 3i7y s LYS 98 Cb -0.03 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 3i7y s LYS 98 CO 0.04 0.22 0.38 0.99 -0.36 0.00 0.00 175.35 176.62 3i7y s THR 99 N 0.49 5.16 -0.31 3.43 2.01 -1.26 -2.74 115.64 122.42 3i7y s THR 99 Ca 0.01 0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.49 3i7y s THR 99 Cb -0.13 -3.74 0.09 0.00 0.01 0.00 0.00 72.50 68.72 3i7y s THR 99 CO 0.01 0.08 0.03 -0.89 -0.69 0.00 0.00 174.62 173.16 3i7y s THR 100 N 2.09 1.81 0.31 -0.82 2.01 -0.76 -4.98 115.64 115.31 3i7y s THR 100 Ca 0.15 -1.86 -0.15 0.00 0.31 0.00 0.00 61.69 60.14 3i7y s THR 100 Cb -0.16 -2.25 -0.09 0.00 0.01 0.00 0.00 72.50 70.01 3i7y s THR 100 CO 0.11 -0.47 0.72 -1.58 -0.69 0.00 0.00 174.62 172.71 3i7y s GLN 101 N 1.17 4.00 -0.05 4.92 2.00 -1.26 -1.26 119.66 129.18 3i7y s GLN 101 Ca 0.06 0.65 -0.31 0.00 -2.00 0.00 0.00 55.36 53.75 3i7y s GLN 101 Cb -0.19 -2.47 0.13 0.00 0.80 0.00 0.00 33.01 31.28 3i7y s GLN 101 CO -0.11 0.18 1.34 0.00 -0.50 0.00 0.00 175.29 176.20 3i7y s ALA 102 N -1.94 -2.34 -0.33 1.58 0.00 -0.55 -4.99 121.76 113.19 3i7y s ALA 102 Ca 0.53 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 3i7y s ALA 102 Cb -0.11 0.30 0.07 0.00 0.00 0.00 0.00 23.12 23.39 3i7y s ALA 102 CO 0.18 -1.05 0.05 -0.80 0.00 0.00 0.00 175.76 174.14 3i7y s ASN 103 N -2.98 4.95 0.13 0.00 -0.87 -1.26 -0.42 114.94 114.49 3i7y s ASN 103 Ca 0.14 -1.54 -0.00 0.00 -1.57 0.00 0.00 52.86 49.89 3i7y s ASN 103 Cb 0.06 -1.73 -0.04 0.00 -0.02 0.00 0.00 41.25 39.52 3i7y s ASN 103 CO -0.05 -0.34 0.03 -0.54 -2.57 0.00 0.00 177.10 173.63 3i7y s LYS 104 N 1.19 0.92 0.01 -0.60 3.01 -0.78 -4.75 119.74 118.73 3i7y s LYS 104 Ca -0.01 -1.43 -0.30 0.00 -1.01 0.00 0.00 55.97 53.22 3i7y s LYS 104 Cb -0.20 0.10 -0.05 0.00 -1.01 0.00 0.00 37.83 36.66 3i7y s LYS 104 CO -0.03 -0.20 1.28 -1.01 0.51 0.00 0.00 175.35 175.91 3i7y s HIS 105 N -3.92 3.15 0.23 3.18 3.76 0.42 -0.74 115.29 121.36 3i7y s HIS 105 Ca 0.21 1.08 -0.25 0.00 -0.15 0.00 0.00 55.06 55.96 3i7y s HIS 105 Cb 0.07 -3.52 -0.09 0.00 1.11 0.00 0.00 32.58 30.15 3i7y s HIS 105 CO 0.00 -1.77 0.83 0.00 -0.85 0.00 0.00 174.74 172.95 3i7y s ALA 106 N 1.88 3.37 -0.21 -1.40 0.00 -1.26 -1.15 121.76 122.99 3i7y s ALA 106 Ca 0.60 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.95 3i7y s ALA 106 Cb -0.29 -3.01 0.05 0.00 0.00 0.00 0.00 23.12 19.87 3i7y s ALA 106 CO 0.26 0.26 -0.11 0.42 0.00 0.00 0.00 175.76 176.59 3i7y s ILE 107 N -1.37 1.77 0.19 0.00 1.01 -0.10 -0.46 121.20 122.24 3i7y s ILE 107 Ca 0.42 -1.15 0.09 0.00 0.00 0.00 0.00 60.65 60.02 3i7y s ILE 107 Cb -0.21 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 3i7y s ILE 107 CO 0.25 0.14 -0.19 0.68 0.00 0.00 0.00 174.94 175.81 3i7y s VAL 108 N 1.33 1.99 -0.12 2.92 -7.23 0.18 -1.03 120.40 118.44 3i7y s VAL 108 Ca -0.03 -2.02 -0.13 0.00 -1.81 0.00 0.00 61.98 57.99 3i7y s VAL 108 Cb -0.17 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 3i7y s VAL 108 CO -0.08 -0.30 0.30 0.00 -0.31 0.00 0.00 175.10 174.71 3i7y s ALA 109 N -2.09 3.64 0.12 1.32 0.00 0.63 -0.18 121.76 125.20 3i7y s ALA 109 Ca 0.19 -0.42 0.10 0.00 0.00 0.00 0.00 51.96 51.83 3i7y s ALA 109 Cb -0.06 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 3i7y s ALA 109 CO 0.08 0.22 -0.24 0.00 0.00 0.00 0.00 175.76 175.82 3i7y s GLU 111 N -2.07 1.02 0.74 0.00 -1.05 -0.79 -4.90 118.70 111.64 3i7y s GLU 111 Ca 0.15 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 3i7y s GLU 111 Cb -0.10 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 3i7y s GLU 111 CO 0.07 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.23 3i7y n GLY 112 N -0.48 -2.14 2.72 -3.83 0.00 -1.26 -2.76 105.19 97.44 3i7y n GLY 112 Ca -0.07 -1.51 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 3i7y n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7y s ASN 113 N -3.62 1.41 0.73 1.61 3.04 -1.26 -2.76 114.94 114.09 3i7y s ASN 113 Ca 0.00 -0.09 -0.15 0.00 0.04 0.00 0.00 52.86 52.66 3i7y s ASN 113 Cb 0.00 0.05 0.04 0.00 -1.54 0.00 0.00 41.25 39.80 3i7y s ASN 113 CO 0.00 -0.29 1.21 -2.16 -3.04 0.00 0.00 177.10 172.82 3i7y s PRO 114 N 2.23 2.15 -0.78 0.43 0.04 -1.26 -5.05 135.00 132.76 3i7y s PRO 114 Ca 0.04 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.59 3i7y s PRO 114 Cb -0.14 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 3i7y s PRO 114 CO -0.07 -1.83 1.76 -0.47 0.04 0.00 0.00 177.00 176.43 3i7y s TYR 115 N -1.97 1.91 0.30 0.56 5.04 -1.11 -4.85 117.35 117.23 3i7y s TYR 115 Ca 0.74 0.41 0.08 0.00 -2.44 0.00 0.00 57.07 55.87 3i7y s TYR 115 Cb -0.29 -4.23 -0.06 0.00 0.35 0.00 0.00 41.96 37.73 3i7y s TYR 115 CO 0.45 -2.03 -0.09 0.14 -1.34 0.00 0.00 175.55 172.67 3i7y s VAL 116 N 8.45 1.96 0.25 3.14 -7.23 -1.11 -4.83 120.40 121.03 3i7y s VAL 116 Ca 0.61 -2.19 -0.30 0.00 -1.81 0.00 0.00 61.98 58.29 3i7y s VAL 116 Cb -0.08 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.28 3i7y s VAL 116 CO 0.08 -0.29 1.44 -2.84 -0.31 0.00 0.00 175.10 173.19 3i7y s PRO 117 N -3.65 4.26 0.00 4.82 0.02 -1.26 -1.89 135.00 137.30 3i7y s PRO 117 Ca 0.30 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3i7y s PRO 117 Cb 0.02 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3i7y s PRO 117 CO 0.14 -0.43 0.34 1.33 -0.33 0.00 0.00 177.00 178.05 3i7y n VAL 118 N 2.28 0.06 -3.58 3.83 0.24 0.79 -4.48 118.33 117.46 3i7y n VAL 118 Ca 0.07 -0.32 -0.14 0.00 -2.04 0.00 0.00 64.34 61.90 3i7y n VAL 118 Cb 0.40 1.35 -0.06 0.00 -1.47 0.00 0.00 33.84 34.05 3i7y n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3i7y s HIS 119 N -0.06 -0.65 -0.35 6.34 5.65 -1.14 -4.70 115.29 120.39 3i7y s HIS 119 Ca 0.00 1.38 -0.04 0.00 0.25 0.00 0.00 55.06 56.65 3i7y s HIS 119 Cb 0.00 0.36 0.06 0.00 -1.18 0.00 0.00 32.58 31.82 3i7y s HIS 119 CO 0.00 -0.44 0.10 0.12 -0.65 0.00 0.00 174.74 173.87 3i7y s PHE 120 N -0.39 3.35 -0.05 3.88 2.19 -1.26 -0.27 117.98 125.42 3i7y s PHE 120 Ca -0.04 -1.85 -0.11 0.00 0.33 0.00 0.00 56.93 55.26 3i7y s PHE 120 Cb -0.03 -2.49 -0.06 0.00 -1.31 0.00 0.00 43.02 39.13 3i7y s PHE 120 CO 0.03 -0.83 0.49 0.22 1.83 0.00 0.00 175.22 176.97 3i7y h ASP 121 N 8.11 -0.35 -2.08 6.13 3.58 -1.42 -3.49 116.42 126.89 3i7y h ASP 121 Ca -0.20 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.33 3i7y h ASP 121 Cb 1.07 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 3i7y h ASP 121 CO 0.61 0.07 0.33 0.00 -2.88 0.00 0.00 179.24 177.37 3i7y n ALA 122 N -2.71 -1.63 -3.47 -0.78 0.00 -1.17 -5.01 120.51 105.75 3i7y n ALA 122 Ca -0.05 -0.76 -0.18 0.00 0.00 0.00 0.00 53.44 52.45 3i7y n ALA 122 Cb 0.16 0.50 -0.16 0.00 0.00 0.00 0.00 19.45 19.95 3i7y n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i7y s SER 123 N -2.59 0.63 0.00 0.00 0.01 -1.26 -0.92 113.70 109.57 3i7y s SER 123 Ca 0.14 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.32 3i7y s SER 123 Cb -0.02 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.94 3i7y s SER 123 CO 0.05 -0.04 0.03 1.33 0.41 0.00 0.00 173.24 175.02