#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7w s GLU 2 N 0.00 0.19 0.83 1.64 2.12 -1.26 -5.15 118.70 117.07 3i7w s GLU 2 Ca 0.00 0.50 -0.10 0.00 0.36 0.00 0.00 54.97 55.73 3i7w s GLU 2 Cb 0.00 -0.13 0.09 0.00 0.26 0.00 0.00 34.13 34.35 3i7w s GLU 2 CO 0.00 -0.16 1.11 0.95 -0.54 0.00 0.00 175.26 176.61 3i7w s THR 3 N 1.23 2.90 0.30 -1.70 -4.23 -1.26 -4.86 115.64 108.02 3i7w s THR 3 Ca -0.09 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.74 3i7w s THR 3 Cb -0.10 -2.64 0.10 0.00 1.34 0.00 0.00 72.50 71.19 3i7w s THR 3 CO -0.08 -0.38 1.77 0.00 -0.54 0.00 0.00 174.62 175.39 3i7w h ALA 4 N -1.40 1.19 0.02 3.99 0.00 -1.97 -2.09 119.26 119.00 3i7w h ALA 4 Ca -0.44 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 53.92 3i7w h ALA 4 Cb 1.25 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3i7w h ALA 4 CO 0.49 0.52 -1.02 0.00 0.00 0.00 0.00 179.25 179.24 3i7w h ALA 5 N 1.37 0.23 -0.29 0.00 0.00 -1.89 -2.81 119.26 115.88 3i7w h ALA 5 Ca 0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 3i7w h ALA 5 Cb 0.56 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i7w h ALA 5 CO 0.04 0.76 -0.19 0.00 0.00 0.00 0.00 179.25 179.86 3i7w h ALA 6 N 0.57 1.13 -0.44 0.00 0.00 -1.86 -1.91 119.26 116.74 3i7w h ALA 6 Ca -0.11 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 3i7w h ALA 6 Cb 1.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3i7w h ALA 6 CO 0.19 0.54 -0.17 -0.22 0.00 0.00 0.00 179.25 179.59 3i7w h LYS 7 N 0.47 0.85 0.16 0.00 3.64 -1.38 -0.59 116.57 119.71 3i7w h LYS 7 Ca 0.08 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 3i7w h LYS 7 Cb 0.60 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3i7w h LYS 7 CO 0.04 0.96 -0.07 0.35 -2.27 0.00 0.00 179.45 178.45 3i7w h PHE 8 N 0.75 -0.19 -0.20 1.91 3.04 -1.17 0.14 116.94 121.21 3i7w h PHE 8 Ca 0.11 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.07 3i7w h PHE 8 Cb 0.70 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 3i7w h PHE 8 CO 0.04 -0.03 0.07 0.93 -2.02 0.00 0.00 178.31 177.30 3i7w h GLU 9 N -0.32 0.17 -0.56 1.11 5.08 -1.31 0.56 114.58 119.30 3i7w h GLU 9 Ca -0.02 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3i7w h GLU 9 Cb 0.25 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3i7w h GLU 9 CO 0.04 0.11 0.32 -0.09 -1.00 0.00 0.00 179.01 178.39 3i7w h ARG 10 N 0.17 0.61 0.00 2.33 2.43 -0.96 -0.90 114.38 118.06 3i7w h ARG 10 Ca 0.08 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3i7w h ARG 10 Cb 0.05 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3i7w h ARG 10 CO -0.08 0.40 -1.05 1.96 -1.51 0.00 0.00 179.97 179.70 3i7w h GLN 11 N 0.63 0.00 0.00 0.20 4.20 -0.34 -3.42 115.11 116.39 3i7w h GLN 11 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3i7w h GLN 11 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3i7w h GLN 11 CO -0.12 0.52 0.00 0.72 -0.67 0.00 0.00 178.83 179.28 3i7w n HIS 12 N -3.11 0.00 -3.48 2.96 8.25 0.19 -4.62 115.22 115.41 3i7w n HIS 12 Ca -0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.04 3i7w n HIS 12 Cb 0.85 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.87 3i7w n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3i7w s MET 13 N -0.75 4.14 -0.44 -0.41 -1.94 -0.35 0.16 119.30 119.71 3i7w s MET 13 Ca 0.00 0.04 0.05 0.00 -1.71 0.00 0.00 55.69 54.07 3i7w s MET 13 Cb 0.00 -3.54 0.19 0.00 2.01 0.00 0.00 34.83 33.49 3i7w s MET 13 CO 0.00 -0.01 0.48 -3.47 -0.01 0.00 0.00 175.02 172.01 3i7w n ASP 14 N 4.43 -1.21 0.10 3.03 2.03 -0.34 -4.84 116.55 119.74 3i7w n ASP 14 Ca -0.11 -2.58 0.13 0.00 0.52 0.00 0.00 54.79 52.75 3i7w n ASP 14 Cb 0.51 0.08 0.42 0.00 -0.72 0.00 0.00 41.12 41.41 3i7w n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3i7w n SER 15 N 2.63 0.77 -0.13 1.67 7.64 -1.26 -3.96 113.62 121.00 3i7w n SER 15 Ca 0.25 0.58 -0.05 0.00 1.01 0.00 0.00 58.87 60.66 3i7w n SER 15 Cb 0.51 -0.78 0.02 0.00 -1.01 0.00 0.00 64.21 62.94 3i7w n SER 15 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3i7w h SER 16 N 0.00 -0.60 -2.03 6.43 0.87 -1.92 -3.43 113.55 112.87 3i7w h SER 16 Ca 0.00 0.15 -0.56 0.00 -1.23 0.00 0.00 61.79 60.15 3i7w h SER 16 Cb 0.71 0.34 -0.09 0.00 -0.44 0.00 0.00 62.40 62.92 3i7w h SER 16 CO 0.00 -0.21 -0.61 0.42 -0.53 0.00 0.00 176.83 175.90 3i7w s THR 17 N -6.16 3.08 -0.36 2.23 -4.23 -1.25 -5.03 115.64 103.91 3i7w s THR 17 Ca -0.14 -1.87 0.23 0.00 -1.18 0.00 0.00 61.69 58.72 3i7w s THR 17 Cb 0.15 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 71.06 3i7w s THR 17 CO 0.70 -0.27 1.01 -1.54 -0.54 0.00 0.00 174.62 173.98 3i7w n SER 18 N -0.98 0.66 -3.52 3.99 3.41 -1.26 -4.73 113.62 111.19 3i7w n SER 18 Ca -0.05 0.12 -0.14 0.00 -0.26 0.00 0.00 58.87 58.54 3i7w n SER 18 Cb 0.61 0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 65.21 3i7w n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7w s ALA 19 N -3.31 -1.46 -0.44 7.33 0.00 -1.26 -4.86 121.76 117.75 3i7w s ALA 19 Ca 0.01 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.33 3i7w s ALA 19 Cb 0.12 0.50 -0.08 0.00 0.00 0.00 0.00 23.12 23.66 3i7w s ALA 19 CO 0.80 -0.57 2.36 0.00 0.00 0.00 0.00 175.76 178.35 3i7w n ALA 20 N 0.20 1.06 -2.12 0.00 0.00 -1.26 -4.88 120.51 113.51 3i7w n ALA 20 Ca -0.18 -0.63 -0.43 0.00 0.00 0.00 0.00 53.44 52.21 3i7w n ALA 20 Cb 0.61 -3.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.03 3i7w n ALA 20 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i7w s SER 21 N 10.50 6.21 0.57 0.00 0.01 -1.26 -4.80 113.70 124.94 3i7w s SER 21 Ca 1.03 1.36 0.00 0.00 1.31 0.00 0.00 55.95 59.64 3i7w s SER 21 Cb -0.36 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.34 3i7w s SER 21 CO 0.32 -1.44 0.00 -0.24 0.41 0.00 0.00 173.24 172.29 3i7w n SER 22 N 9.13 -3.20 -0.93 2.44 2.88 -1.26 -3.42 113.62 119.25 3i7w n SER 22 Ca 0.20 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.82 3i7w n SER 22 Cb 0.46 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.13 3i7w n SER 22 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3i7w n SER 23 N -1.35 3.24 -0.39 -3.46 3.41 -1.26 -4.17 113.62 109.64 3i7w n SER 23 Ca 0.00 -1.95 0.06 0.00 -0.26 0.00 0.00 58.87 56.72 3i7w n SER 23 Cb 0.00 -0.29 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 3i7w n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i7w n ASN 24 N 1.04 1.73 -0.17 4.04 5.15 -1.26 -4.42 115.26 121.37 3i7w n ASN 24 Ca 0.16 -1.37 -0.05 0.00 -0.60 0.00 0.00 54.58 52.73 3i7w n ASN 24 Cb 0.50 0.14 0.02 0.00 -0.53 0.00 0.00 39.78 39.91 3i7w n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3i7w h TYR 25 N 1.91 -0.71 -0.46 1.20 5.03 -1.72 -2.08 116.97 120.14 3i7w h TYR 25 Ca 0.00 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.37 3i7w h TYR 25 Cb 0.44 0.39 -0.02 0.00 1.55 0.00 0.00 36.73 39.09 3i7w h TYR 25 CO 0.00 -0.34 0.30 0.00 -1.32 0.00 0.00 178.16 176.80 3i7w h ASN 27 N 0.63 0.63 0.08 0.00 2.35 -1.66 -1.23 115.58 116.39 3i7w h ASN 27 Ca 0.17 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3i7w h ASN 27 Cb -0.05 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.19 3i7w h ASN 27 CO -0.04 0.39 -0.04 -0.61 -1.65 0.00 0.00 177.43 175.49 3i7w h GLN 28 N 0.71 -0.11 -0.86 0.81 -0.00 -0.83 -3.26 115.11 111.58 3i7w h GLN 28 Ca 0.33 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 59.01 3i7w h GLN 28 Cb 0.36 0.02 -0.05 0.00 0.00 0.00 0.00 27.48 27.82 3i7w h GLN 28 CO -0.12 0.43 0.56 0.52 0.00 0.00 0.00 178.83 180.23 3i7w h MET 29 N -0.83 1.09 0.00 1.69 2.86 -0.80 0.35 114.93 119.30 3i7w h MET 29 Ca -0.01 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 3i7w h MET 29 Cb 0.59 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3i7w h MET 29 CO 0.02 0.72 -0.22 0.52 1.06 0.00 0.00 176.91 179.02 3i7w h MET 30 N 1.13 0.00 0.07 1.72 2.86 -1.38 -0.25 114.93 119.08 3i7w h MET 30 Ca 0.33 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.86 3i7w h MET 30 Cb -0.08 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.59 3i7w h MET 30 CO -0.09 0.22 -0.46 -0.22 1.06 0.00 0.00 176.91 177.42 3i7w h LYS 31 N 0.00 0.15 -0.66 1.72 1.63 -1.37 0.13 116.57 118.17 3i7w h LYS 31 Ca -0.00 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.51 3i7w h LYS 31 Cb 0.40 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 3i7w h LYS 31 CO 0.03 1.12 0.32 0.66 -3.45 0.00 0.00 179.45 178.13 3i7w h SER 32 N -0.68 0.87 -0.10 4.20 4.64 -0.81 -1.89 113.55 119.78 3i7w h SER 32 Ca -0.08 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3i7w h SER 32 Cb 1.34 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3i7w h SER 32 CO 0.07 0.76 0.00 0.54 -0.87 0.00 0.00 176.83 177.33 3i7w n ARG 33 N -4.46 1.32 -3.73 4.77 5.12 -0.12 -4.89 116.66 114.68 3i7w n ARG 33 Ca 0.05 -0.39 -0.22 0.00 -1.93 0.00 0.00 57.85 55.36 3i7w n ARG 33 Cb 0.13 -1.22 0.03 0.00 -1.16 0.00 0.00 32.46 30.24 3i7w n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3i7w n ASN 34 N -0.12 -1.36 -0.69 0.55 3.02 -0.71 -4.82 115.26 111.13 3i7w n ASN 34 Ca 0.04 -0.83 0.12 0.00 -0.03 0.00 0.00 54.58 53.88 3i7w n ASN 34 Cb 0.17 -3.99 0.08 0.00 -0.61 0.00 0.00 39.78 35.42 3i7w n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i7w n LEU 35 N -4.31 2.41 -0.47 3.41 4.77 0.46 -4.02 117.00 119.25 3i7w n LEU 35 Ca -0.28 -0.84 0.06 0.00 -0.03 0.00 0.00 56.01 54.93 3i7w n LEU 35 Cb 0.67 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.87 3i7w n LEU 35 CO 0.69 0.42 0.39 0.35 -1.33 0.00 0.00 177.39 177.91 3i7w n THR 36 N 0.58 1.34 0.11 -5.08 -2.24 -1.16 -2.08 114.28 105.75 3i7w n THR 36 Ca 0.12 -1.89 -0.08 0.00 -2.27 0.00 0.00 64.05 59.94 3i7w n THR 36 Cb 0.52 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 3i7w n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i7w h LYS 37 N 0.37 -0.40 -0.09 -0.78 1.79 -1.88 -3.33 116.57 112.25 3i7w h LYS 37 Ca -0.03 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3i7w h LYS 37 Cb 1.19 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 3i7w h LYS 37 CO 0.01 -0.27 0.00 -0.25 -1.08 0.00 0.00 179.45 177.87 3i7w n ASP 38 N -3.68 2.17 -3.59 0.86 8.00 -1.26 -5.03 116.55 114.02 3i7w n ASP 38 Ca -0.05 -1.92 -0.07 0.00 0.71 0.00 0.00 54.79 53.46 3i7w n ASP 38 Cb 0.20 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.20 3i7w n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3i7w s ARG 39 N -0.93 0.42 -0.40 -1.24 3.52 -1.25 -5.10 118.95 113.97 3i7w s ARG 39 Ca 0.06 0.01 -0.22 0.00 -0.13 0.00 0.00 55.73 55.45 3i7w s ARG 39 Cb 0.03 0.20 0.01 0.00 -1.56 0.00 0.00 34.95 33.63 3i7w s ARG 39 CO 0.04 -0.15 0.73 0.00 -0.81 0.00 0.00 175.30 175.11 3i7w s LYS 41 N 3.03 3.60 0.14 0.00 2.47 -0.89 -4.86 119.74 123.24 3i7w s LYS 41 Ca 0.28 2.19 -0.19 0.00 -1.56 0.00 0.00 55.97 56.70 3i7w s LYS 41 Cb -0.13 -4.25 0.01 0.00 -1.46 0.00 0.00 37.83 32.00 3i7w s LYS 41 CO 0.18 -1.56 1.71 -1.00 0.16 0.00 0.00 175.35 174.84 3i7w h PRO 42 N 12.77 0.05 -5.28 4.03 0.13 -1.93 -3.43 132.00 138.35 3i7w h PRO 42 Ca -0.43 -0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 3i7w h PRO 42 Cb 1.23 -0.01 -0.26 0.00 0.13 0.00 0.00 31.00 32.08 3i7w h PRO 42 CO 0.96 0.03 -0.80 0.08 -0.23 0.00 0.00 178.00 178.05 3i7w s VAL 43 N -6.19 1.09 -0.28 1.56 1.01 -1.26 -0.66 120.40 115.66 3i7w s VAL 43 Ca -0.13 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 3i7w s VAL 43 Cb 0.11 -0.96 0.12 0.00 0.00 0.00 0.00 36.38 35.65 3i7w s VAL 43 CO 0.69 0.10 0.98 0.21 0.00 0.00 0.00 175.10 177.09 3i7w s ASN 44 N -0.86 -0.51 -0.04 3.32 2.47 -0.07 -5.01 114.94 114.23 3i7w s ASN 44 Ca 0.03 0.91 0.03 0.00 0.42 0.00 0.00 52.86 54.25 3i7w s ASN 44 Cb -0.07 1.03 -0.03 0.00 -1.45 0.00 0.00 41.25 40.73 3i7w s ASN 44 CO 0.01 -0.15 -0.12 -0.89 -3.72 0.00 0.00 177.10 172.23 3i7w s THR 45 N 0.66 3.29 -0.06 -5.21 2.01 -1.26 0.99 115.64 116.07 3i7w s THR 45 Ca -0.01 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.32 3i7w s THR 45 Cb -0.05 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 3i7w s THR 45 CO -0.10 0.55 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.90 3i7w s PHE 46 N -0.80 2.75 -0.19 4.92 0.08 0.67 -4.25 117.98 121.16 3i7w s PHE 46 Ca 0.13 -0.18 -0.07 0.00 0.12 0.00 0.00 56.93 56.92 3i7w s PHE 46 Cb -0.11 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 3i7w s PHE 46 CO 0.02 0.16 0.06 0.08 -0.10 0.00 0.00 175.22 175.44 3i7w s VAL 47 N -0.61 4.70 -1.05 -0.44 1.01 0.42 0.06 120.40 124.49 3i7w s VAL 47 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 3i7w s VAL 47 Cb -0.11 -3.12 0.29 0.00 0.00 0.00 0.00 36.38 33.44 3i7w s VAL 47 CO 0.01 0.44 1.30 1.41 0.00 0.00 0.00 175.10 178.27 3i7w n HIS 48 N 3.72 3.23 -3.95 5.22 -0.00 0.11 -1.20 115.22 122.36 3i7w n HIS 48 Ca -0.16 -3.11 -0.08 0.00 -0.00 0.00 0.00 57.72 54.36 3i7w n HIS 48 Cb 0.52 -1.32 -0.04 0.00 -0.00 0.00 0.00 29.99 29.15 3i7w n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3i7w s GLU 49 N -2.32 1.64 0.85 -0.41 0.41 -1.26 -4.41 118.70 113.20 3i7w s GLU 49 Ca 0.31 -1.15 -0.11 0.00 -0.41 0.00 0.00 54.97 53.61 3i7w s GLU 49 Cb 0.01 0.52 0.10 0.00 -1.78 0.00 0.00 34.13 32.99 3i7w s GLU 49 CO 0.04 -0.71 1.10 -1.54 -0.49 0.00 0.00 175.26 173.66 3i7w s SER 50 N -2.98 3.75 0.18 -0.19 1.04 -1.26 -4.04 113.70 110.20 3i7w s SER 50 Ca 0.18 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.35 3i7w s SER 50 Cb -0.03 -2.46 0.08 0.00 0.10 0.00 0.00 66.02 63.72 3i7w s SER 50 CO 0.08 -2.52 1.69 0.25 0.98 0.00 0.00 173.24 173.72 3i7w h LEU 51 N -1.46 0.98 -0.16 2.42 5.85 -1.99 -2.35 115.31 118.59 3i7w h LEU 51 Ca -0.45 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.07 3i7w h LEU 51 Cb 1.25 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3i7w h LEU 51 CO 0.49 0.97 -0.14 0.00 -0.34 0.00 0.00 178.44 179.42 3i7w h ALA 52 N 1.05 -0.03 -0.82 1.25 0.00 -1.99 0.62 119.26 119.34 3i7w h ALA 52 Ca 0.20 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3i7w h ALA 52 Cb 0.38 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3i7w h ALA 52 CO 0.01 -0.58 0.54 -0.44 0.00 0.00 0.00 179.25 178.77 3i7w h ASP 53 N -0.15 0.91 -0.22 0.00 5.19 -1.88 -0.25 116.42 120.02 3i7w h ASP 53 Ca 0.10 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 56.38 3i7w h ASP 53 Cb 0.30 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3i7w h ASP 53 CO -0.25 0.65 -0.24 0.58 -3.12 0.00 0.00 179.24 176.86 3i7w h VAL 54 N 1.08 1.27 -0.03 -1.35 2.07 -0.87 -2.94 116.25 115.48 3i7w h VAL 54 Ca 0.31 -1.33 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 3i7w h VAL 54 Cb -0.08 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3i7w h VAL 54 CO -0.08 0.44 -0.59 1.56 0.02 0.00 0.00 177.57 178.91 3i7w h GLN 55 N 0.60 0.11 0.00 1.57 4.20 -0.36 -2.89 115.11 118.34 3i7w h GLN 55 Ca 0.08 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i7w h GLN 55 Cb 0.73 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 3i7w h GLN 55 CO 0.06 0.67 -0.02 0.00 -0.67 0.00 0.00 178.83 178.87 3i7w h ALA 56 N 1.31 1.45 0.00 3.87 0.00 -0.87 -1.26 119.26 123.77 3i7w h ALA 56 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i7w h ALA 56 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i7w h ALA 56 CO 0.08 0.03 0.00 0.28 0.00 0.00 0.00 179.25 179.64 3i7w h VAL 57 N 0.00 0.00 0.00 0.00 2.07 -1.51 -0.73 116.25 116.08 3i7w h VAL 57 Ca -0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3i7w h VAL 57 Cb 0.06 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i7w h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3i7w n SER 59 N -1.21 1.49 0.00 0.00 3.41 -0.28 -5.02 113.62 112.00 3i7w n SER 59 Ca 0.13 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 3i7w n SER 59 Cb 0.15 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 3i7w n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i7w n GLN 60 N -0.82 0.06 -2.13 4.33 6.02 -1.00 -5.03 117.38 118.80 3i7w n GLN 60 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 3i7w n GLN 60 Cb 0.71 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.94 3i7w n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3i7w s LYS 61 N 4.02 4.23 -0.55 -1.09 2.47 -1.13 -4.90 119.74 122.78 3i7w s LYS 61 Ca 0.00 2.05 -0.21 0.00 -1.56 0.00 0.00 55.97 56.25 3i7w s LYS 61 Cb 0.00 -3.76 0.06 0.00 -1.46 0.00 0.00 37.83 32.67 3i7w s LYS 61 CO 0.00 -0.72 0.76 1.21 0.16 0.00 0.00 175.35 176.76 3i7w s ASN 62 N 2.52 6.24 0.34 1.43 2.47 -1.26 -0.28 114.94 126.40 3i7w s ASN 62 Ca 0.67 -0.88 0.09 0.00 0.42 0.00 0.00 52.86 53.16 3i7w s ASN 62 Cb -0.32 -2.34 -0.05 0.00 -1.45 0.00 0.00 41.25 37.09 3i7w s ASN 62 CO 0.27 -1.08 0.04 0.68 -3.72 0.00 0.00 177.10 173.28 3i7w s VAL 63 N 3.14 2.67 0.42 -5.21 -7.23 -0.09 -4.98 120.40 109.13 3i7w s VAL 63 Ca 0.19 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 3i7w s VAL 63 Cb -0.18 -2.84 -0.09 0.00 0.56 0.00 0.00 36.38 33.83 3i7w s VAL 63 CO 0.12 -0.19 1.05 0.00 -0.31 0.00 0.00 175.10 175.78 3i7w s ALA 64 N -2.51 3.03 0.57 1.32 0.00 -1.26 -3.46 121.76 119.45 3i7w s ALA 64 Ca 0.35 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 3i7w s ALA 64 Cb -0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3i7w s ALA 64 CO 0.20 -0.25 0.92 0.00 0.00 0.00 0.00 175.76 176.63 3i7w h LYS 66 N -0.12 0.31 -0.01 0.00 1.79 -1.93 -2.21 116.57 114.40 3i7w h LYS 66 Ca -0.45 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.94 3i7w h LYS 66 Cb 1.21 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3i7w h LYS 66 CO 0.62 0.44 -0.00 0.27 -1.08 0.00 0.00 179.45 179.70 3i7w n ASN 67 N -4.26 0.78 0.00 0.86 2.04 -1.26 -4.91 115.26 108.51 3i7w n ASN 67 Ca -0.00 -1.26 0.00 0.00 -0.44 0.00 0.00 54.58 52.88 3i7w n ASN 67 Cb 0.28 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.53 3i7w n ASN 67 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i7w n GLY 68 N 1.09 3.15 3.59 4.83 0.00 -0.83 -5.07 105.19 111.95 3i7w n GLY 68 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3i7w n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i7w n GLN 69 N -1.71 0.06 -0.65 1.61 6.02 -1.26 -4.66 117.38 116.79 3i7w n GLN 69 Ca 0.00 0.09 0.01 0.00 -0.01 0.00 0.00 57.00 57.08 3i7w n GLN 69 Cb 0.00 -2.19 0.22 0.00 1.02 0.00 0.00 30.24 29.28 3i7w n GLN 69 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3i7w n THR 70 N -3.25 2.44 -1.10 5.09 -2.24 -1.26 -1.57 114.28 112.39 3i7w n THR 70 Ca 0.11 -2.40 0.06 0.00 -2.27 0.00 0.00 64.05 59.56 3i7w n THR 70 Cb 0.51 -0.30 0.23 0.00 -2.10 0.00 0.00 70.33 68.67 3i7w n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3i7w n ASN 71 N -0.92 3.35 -4.85 3.42 6.94 -1.26 -4.94 115.26 117.00 3i7w n ASN 71 Ca 0.29 -3.19 -0.36 0.00 -0.02 0.00 0.00 54.58 51.29 3i7w n ASN 71 Cb 0.98 -0.55 -0.06 0.00 -2.36 0.00 0.00 39.78 37.80 3i7w n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i7w s TYR 73 N -1.25 1.32 -0.08 0.00 1.51 0.87 -0.92 117.35 118.81 3i7w s TYR 73 Ca 0.29 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 3i7w s TYR 73 Cb -0.15 -0.77 -0.02 0.00 -0.11 0.00 0.00 41.96 40.90 3i7w s TYR 73 CO 0.16 0.05 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.40 3i7w s GLN 74 N -1.27 2.88 0.13 -0.62 0.74 0.62 -0.99 119.66 121.15 3i7w s GLN 74 Ca 0.02 -0.64 -0.31 0.00 0.05 0.00 0.00 55.36 54.48 3i7w s GLN 74 Cb -0.08 -2.54 -0.08 0.00 1.10 0.00 0.00 33.01 31.41 3i7w s GLN 74 CO 0.02 0.51 1.35 -1.54 -0.55 0.00 0.00 175.29 175.07 3i7w s SER 75 N -0.40 6.86 0.29 6.67 1.04 0.03 -2.84 113.70 125.36 3i7w s SER 75 Ca 0.05 2.31 -0.00 0.00 0.48 0.00 0.00 55.95 58.79 3i7w s SER 75 Cb -0.12 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 63.89 3i7w s SER 75 CO 0.02 -0.61 1.90 1.88 0.98 0.00 0.00 173.24 177.42 3i7w h TYR 76 N 6.48 1.10 -1.83 5.02 0.05 -1.96 -3.43 116.97 122.41 3i7w h TYR 76 Ca -0.43 0.03 -0.51 0.00 0.05 0.00 0.00 58.73 57.87 3i7w h TYR 76 Cb 1.21 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 38.54 3i7w h TYR 76 CO 0.65 0.58 -0.47 -1.54 -1.05 0.00 0.00 178.16 176.33 3i7w s SER 77 N -5.98 5.10 0.58 3.88 1.04 -1.26 -5.06 113.70 112.00 3i7w s SER 77 Ca -0.12 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.58 3i7w s SER 77 Cb 0.20 -0.88 -0.05 0.00 0.10 0.00 0.00 66.02 65.39 3i7w s SER 77 CO 0.80 -0.36 1.03 0.42 0.98 0.00 0.00 173.24 176.11 3i7w s THR 78 N -2.35 4.25 0.11 2.02 -4.23 -1.26 -4.52 115.64 109.66 3i7w s THR 78 Ca 0.40 0.97 0.05 0.00 -1.18 0.00 0.00 61.69 61.93 3i7w s THR 78 Cb -0.05 -3.59 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 3i7w s THR 78 CO 0.26 -0.72 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.45 3i7w s MET 79 N -4.38 0.93 -0.21 3.99 -1.94 0.32 -4.81 119.30 113.20 3i7w s MET 79 Ca 0.60 -1.18 -0.29 0.00 -1.71 0.00 0.00 55.69 53.10 3i7w s MET 79 Cb -0.13 -0.74 -0.01 0.00 2.01 0.00 0.00 34.83 35.96 3i7w s MET 79 CO 0.40 0.13 1.33 0.45 -0.01 0.00 0.00 175.02 177.32 3i7w s SER 80 N -2.40 6.78 0.07 3.03 0.15 -1.26 -0.92 113.70 119.15 3i7w s SER 80 Ca 0.07 1.53 0.01 0.00 0.70 0.00 0.00 55.95 58.26 3i7w s SER 80 Cb -0.04 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.69 3i7w s SER 80 CO 0.02 -0.93 -0.06 0.27 1.20 0.00 0.00 173.24 173.74 3i7w s ILE 81 N 4.00 0.51 -0.16 6.45 -5.25 0.20 0.09 121.20 127.04 3i7w s ILE 81 Ca 0.58 -1.59 0.01 0.00 -0.99 0.00 0.00 60.65 58.65 3i7w s ILE 81 Cb -0.21 -1.23 0.02 0.00 2.95 0.00 0.00 42.46 43.99 3i7w s ILE 81 CO 0.20 -0.73 -0.16 -0.89 -1.79 0.00 0.00 174.94 171.56 3i7w s THR 82 N -2.89 1.75 -0.19 8.37 2.01 0.11 -1.24 115.64 123.56 3i7w s THR 82 Ca 0.03 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.11 3i7w s THR 82 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 3i7w s THR 82 CO -0.04 0.49 0.44 -0.62 -0.69 0.00 0.00 174.62 174.20 3i7w s ASP 83 N 1.40 6.50 -0.26 3.53 -1.08 -0.29 -0.24 116.67 126.22 3i7w s ASP 83 Ca 0.05 0.59 -0.06 0.00 -0.52 0.00 0.00 52.55 52.61 3i7w s ASP 83 Cb -0.13 -2.25 -0.01 0.00 -1.46 0.00 0.00 42.92 39.07 3i7w s ASP 83 CO -0.11 -0.10 0.04 0.00 0.52 0.00 0.00 175.17 175.52 3i7w s ARG 85 N 1.52 1.63 0.25 0.00 0.52 -1.07 -0.89 118.95 120.91 3i7w s ARG 85 Ca 0.04 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 3i7w s ARG 85 Cb -0.16 -1.37 -0.14 0.00 0.52 0.00 0.00 34.95 33.80 3i7w s ARG 85 CO 0.01 0.08 1.23 0.39 0.02 0.00 0.00 175.30 177.02 3i7w n GLU 86 N 3.63 1.65 -2.29 3.54 1.02 0.16 -0.15 120.64 128.20 3i7w n GLU 86 Ca -0.21 0.59 -0.29 0.00 -0.02 0.00 0.00 57.16 57.22 3i7w n GLU 86 Cb 0.52 -2.12 0.01 0.00 -0.02 0.00 0.00 31.44 29.84 3i7w n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i7w s THR 87 N -0.50 4.52 0.57 2.62 -4.23 -0.93 -4.78 115.64 112.91 3i7w s THR 87 Ca 0.65 0.40 0.26 0.00 -1.18 0.00 0.00 61.69 61.82 3i7w s THR 87 Cb -0.70 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 69.70 3i7w s THR 87 CO 0.55 -0.86 2.20 1.23 -0.54 0.00 0.00 174.62 177.20 3i7w h GLY 88 N -0.08 0.00 -5.02 3.99 0.00 -1.93 -2.52 103.07 97.50 3i7w h GLY 88 Ca -0.46 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.15 3i7w h GLY 88 CO 0.62 0.00 0.57 -1.14 0.00 0.00 0.00 176.54 176.59 3i7w n SER 89 N -4.05 6.74 -4.20 0.19 3.41 -1.26 -4.97 113.62 109.48 3i7w n SER 89 Ca -0.02 -3.79 -0.25 0.00 -0.26 0.00 0.00 58.87 54.55 3i7w n SER 89 Cb 0.12 -0.92 -0.15 0.00 -0.26 0.00 0.00 64.21 63.01 3i7w n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3i7w s SER 90 N -1.78 2.19 -0.29 4.04 0.15 -0.95 -4.77 113.70 112.29 3i7w s SER 90 Ca 0.50 -0.39 -0.18 0.00 0.70 0.00 0.00 55.95 56.58 3i7w s SER 90 Cb 0.40 -0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.63 3i7w s SER 90 CO -0.33 0.19 0.99 -0.75 1.20 0.00 0.00 173.24 174.55 3i7w s LYS 91 N -0.68 0.40 0.27 5.44 2.20 -1.15 -4.90 119.74 121.32 3i7w s LYS 91 Ca 0.07 0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 56.03 3i7w s LYS 91 Cb -0.08 0.10 -0.14 0.00 -1.51 0.00 0.00 37.83 36.21 3i7w s LYS 91 CO 0.00 -0.08 1.06 0.98 -0.36 0.00 0.00 175.35 176.95 3i7w n TYR 92 N 3.41 1.33 0.93 4.03 9.36 -1.26 -1.09 117.16 133.88 3i7w n TYR 92 Ca -0.17 0.68 0.13 0.00 3.32 0.00 0.00 57.90 61.86 3i7w n TYR 92 Cb 0.57 -2.27 0.37 0.00 -0.63 0.00 0.00 39.34 37.39 3i7w n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3i7w n PRO 93 N 0.95 0.05 -2.35 2.98 -0.04 -1.26 -4.95 135.00 130.38 3i7w n PRO 93 Ca 0.10 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.16 3i7w n PRO 93 Cb 0.31 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 3i7w n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i7w n ASN 94 N -1.61 4.72 -4.75 3.54 4.13 -0.25 -4.97 115.26 116.07 3i7w n ASN 94 Ca 0.06 -2.95 -0.41 0.00 1.68 0.00 0.00 54.58 52.96 3i7w n ASN 94 Cb 0.35 -1.62 -0.04 0.00 -1.54 0.00 0.00 39.78 36.93 3i7w n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i7w s ALA 96 N -0.58 1.75 0.04 0.00 0.00 -1.26 -4.94 121.76 116.77 3i7w s ALA 96 Ca 0.48 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 3i7w s ALA 96 Cb -0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3i7w s ALA 96 CO 0.38 0.37 0.02 0.71 0.00 0.00 0.00 175.76 177.25 3i7w s TYR 97 N -0.95 0.35 -0.17 0.00 2.02 -1.26 -2.18 117.35 115.16 3i7w s TYR 97 Ca 0.07 -0.77 -0.05 0.00 -0.37 0.00 0.00 57.07 55.95 3i7w s TYR 97 Cb -0.09 -0.26 -0.03 0.00 -0.40 0.00 0.00 41.96 41.18 3i7w s TYR 97 CO 0.03 -0.35 0.00 0.21 -1.57 0.00 0.00 175.55 173.87 3i7w s LYS 98 N -3.06 3.76 -0.05 -0.62 2.20 0.79 -4.64 119.74 118.12 3i7w s LYS 98 Ca -0.01 -0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 54.95 3i7w s LYS 98 Cb 0.02 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.25 3i7w s LYS 98 CO -0.07 0.21 0.51 0.99 -0.36 0.00 0.00 175.35 176.63 3i7w s THR 99 N 0.47 5.04 -0.29 3.43 2.01 -1.26 -2.60 115.64 122.44 3i7w s THR 99 Ca -0.01 1.04 -0.04 0.00 0.31 0.00 0.00 61.69 63.00 3i7w s THR 99 Cb -0.14 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.63 3i7w s THR 99 CO 0.02 0.42 0.13 -0.89 -0.69 0.00 0.00 174.62 173.60 3i7w s THR 100 N -0.08 0.03 0.39 -0.82 2.01 -0.82 -4.99 115.64 111.36 3i7w s THR 100 Ca 0.27 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.27 3i7w s THR 100 Cb -0.17 -1.04 -0.10 0.00 0.01 0.00 0.00 72.50 71.20 3i7w s THR 100 CO 0.14 -0.71 0.88 -1.58 -0.69 0.00 0.00 174.62 172.66 3i7w s GLN 101 N 2.05 4.17 -0.17 4.92 2.00 -1.26 -1.14 119.66 130.22 3i7w s GLN 101 Ca 0.09 0.98 -0.35 0.00 -2.00 0.00 0.00 55.36 54.09 3i7w s GLN 101 Cb -0.16 -2.27 0.14 0.00 0.80 0.00 0.00 33.01 31.51 3i7w s GLN 101 CO -0.35 0.04 1.26 0.00 -0.50 0.00 0.00 175.29 175.73 3i7w s ALA 102 N -2.11 -2.14 -0.31 1.58 0.00 -0.37 -4.98 121.76 113.43 3i7w s ALA 102 Ca 0.59 1.45 -0.03 0.00 0.00 0.00 0.00 51.96 53.97 3i7w s ALA 102 Cb -0.10 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.01 3i7w s ALA 102 CO 0.15 -0.69 0.03 -0.80 0.00 0.00 0.00 175.76 174.44 3i7w s ASN 103 N -2.34 5.00 0.17 0.00 -0.87 -1.25 0.60 114.94 116.25 3i7w s ASN 103 Ca 0.11 -1.18 -0.00 0.00 -1.57 0.00 0.00 52.86 50.22 3i7w s ASN 103 Cb 0.00 -1.77 -0.04 0.00 -0.02 0.00 0.00 41.25 39.43 3i7w s ASN 103 CO -0.04 -0.27 0.07 -0.54 -2.57 0.00 0.00 177.10 173.75 3i7w s LYS 104 N 1.32 1.10 -0.26 -0.60 1.02 -0.10 -4.71 119.74 117.52 3i7w s LYS 104 Ca -0.03 -1.55 -0.26 0.00 0.02 0.00 0.00 55.97 54.14 3i7w s LYS 104 Cb -0.19 0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 3i7w s LYS 104 CO 0.00 -0.27 0.90 -1.01 -0.92 0.00 0.00 175.35 174.05 3i7w s HIS 105 N -3.96 3.28 0.38 3.18 3.76 -0.42 0.12 115.29 121.63 3i7w s HIS 105 Ca 0.30 1.17 -0.22 0.00 -0.15 0.00 0.00 55.06 56.16 3i7w s HIS 105 Cb 0.07 -3.19 -0.10 0.00 1.11 0.00 0.00 32.58 30.46 3i7w s HIS 105 CO 0.06 -0.48 0.93 0.96 -0.85 0.00 0.00 174.74 175.36 3i7w s ILE 106 N 3.03 4.36 -0.16 0.60 -4.36 -1.26 -0.74 121.20 122.67 3i7w s ILE 106 Ca 0.38 1.55 0.00 0.00 -0.26 0.00 0.00 60.65 62.32 3i7w s ILE 106 Cb -0.15 -3.74 0.03 0.00 1.25 0.00 0.00 42.46 39.86 3i7w s ILE 106 CO 0.09 -0.15 -0.11 -0.63 0.24 0.00 0.00 174.94 174.38 3i7w s ILE 107 N -1.97 1.44 0.12 8.37 1.01 0.47 -0.79 121.20 129.84 3i7w s ILE 107 Ca 0.57 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.61 3i7w s ILE 107 Cb -0.12 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3i7w s ILE 107 CO 0.17 0.33 -0.14 0.68 0.00 0.00 0.00 174.94 175.98 3i7w s VAL 108 N 1.52 1.29 -0.09 2.92 -7.23 -0.16 -1.27 120.40 117.37 3i7w s VAL 108 Ca 0.03 -1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 58.40 3i7w s VAL 108 Cb -0.14 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.26 3i7w s VAL 108 CO -0.09 -0.42 0.26 0.00 -0.31 0.00 0.00 175.10 174.54 3i7w s ALA 109 N -2.12 3.76 0.22 1.32 0.00 0.12 -0.09 121.76 124.97 3i7w s ALA 109 Ca 0.08 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.67 3i7w s ALA 109 Cb -0.05 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 3i7w s ALA 109 CO 0.03 0.45 -0.19 0.00 0.00 0.00 0.00 175.76 176.05 3i7w s GLU 111 N -3.19 0.87 0.51 0.00 -1.05 -0.95 -4.89 118.70 109.99 3i7w s GLU 111 Ca 0.23 -0.52 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 3i7w s GLU 111 Cb -0.05 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 3i7w s GLU 111 CO 0.10 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.32 3i7w n GLY 112 N -0.59 -2.10 2.75 -3.83 0.00 -1.26 -2.73 105.19 97.42 3i7w n GLY 112 Ca -0.05 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 3i7w n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i7w s ASN 113 N -3.26 2.30 0.80 1.61 3.04 -1.26 -2.64 114.94 115.53 3i7w s ASN 113 Ca 0.00 -0.49 -0.13 0.00 0.04 0.00 0.00 52.86 52.29 3i7w s ASN 113 Cb 0.00 -0.51 0.08 0.00 -1.54 0.00 0.00 41.25 39.28 3i7w s ASN 113 CO 0.00 -0.26 1.18 -2.16 -3.04 0.00 0.00 177.10 172.82 3i7w s PRO 114 N 1.92 1.71 -0.64 0.43 0.04 -1.26 -5.07 135.00 132.14 3i7w s PRO 114 Ca 0.02 1.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 3i7w s PRO 114 Cb -0.15 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3i7w s PRO 114 CO -0.07 -2.14 1.46 -0.47 0.04 0.00 0.00 177.00 175.83 3i7w s TYR 115 N -2.28 2.14 0.25 0.56 5.04 -1.08 -4.85 117.35 117.13 3i7w s TYR 115 Ca 0.71 0.35 0.05 0.00 -2.44 0.00 0.00 57.07 55.73 3i7w s TYR 115 Cb -0.26 -4.41 -0.05 0.00 0.35 0.00 0.00 41.96 37.58 3i7w s TYR 115 CO 0.51 -2.09 -0.03 0.14 -1.34 0.00 0.00 175.55 172.74 3i7w s VAL 116 N 6.60 1.28 0.30 3.14 -7.23 -1.10 -4.83 120.40 118.55 3i7w s VAL 116 Ca 0.49 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.30 3i7w s VAL 116 Cb -0.10 -2.38 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 3i7w s VAL 116 CO 0.20 -0.32 1.48 -2.84 -0.31 0.00 0.00 175.10 173.31 3i7w s PRO 117 N -3.81 4.20 0.00 4.82 0.02 -1.26 -2.23 135.00 136.74 3i7w s PRO 117 Ca 0.29 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3i7w s PRO 117 Cb 0.05 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.52 3i7w s PRO 117 CO 0.10 -0.48 0.49 1.33 -0.33 0.00 0.00 177.00 178.11 3i7w n VAL 118 N 1.75 0.23 -3.64 3.83 0.24 0.10 -4.46 118.33 116.38 3i7w n VAL 118 Ca 0.05 -0.30 -0.03 0.00 -2.04 0.00 0.00 64.34 62.02 3i7w n VAL 118 Cb 0.39 1.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.82 3i7w n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3i7w s HIS 119 N -0.23 -0.50 -0.39 6.34 5.65 -1.17 -4.77 115.29 120.22 3i7w s HIS 119 Ca 0.00 1.05 -0.19 0.00 0.25 0.00 0.00 55.06 56.17 3i7w s HIS 119 Cb 0.00 0.34 0.01 0.00 -1.18 0.00 0.00 32.58 31.75 3i7w s HIS 119 CO 0.00 -0.25 0.54 0.12 -0.65 0.00 0.00 174.74 174.51 3i7w s PHE 120 N 1.05 3.14 -0.16 3.88 2.19 -1.26 -0.70 117.98 126.12 3i7w s PHE 120 Ca -0.06 0.02 -0.25 0.00 0.33 0.00 0.00 56.93 56.97 3i7w s PHE 120 Cb -0.04 -3.06 -0.22 0.00 -1.31 0.00 0.00 43.02 38.40 3i7w s PHE 120 CO -0.13 -0.67 0.55 0.22 1.83 0.00 0.00 175.22 177.02 3i7w h ASP 121 N 8.63 0.00 -1.16 6.13 3.58 -1.53 -3.49 116.42 128.58 3i7w h ASP 121 Ca -0.27 -0.78 0.19 0.00 0.42 0.00 0.00 57.03 56.59 3i7w h ASP 121 Cb 1.11 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 3i7w h ASP 121 CO 0.82 1.09 0.48 0.00 -2.88 0.00 0.00 179.24 178.75 3i7w n ALA 122 N -2.86 -1.91 -2.84 -0.78 0.00 -1.06 -4.97 120.51 106.09 3i7w n ALA 122 Ca -0.15 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.75 3i7w n ALA 122 Cb 0.50 0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 3i7w n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i7w s SER 123 N -2.49 0.22 0.00 0.00 0.01 -1.26 -0.40 113.70 109.78 3i7w s SER 123 Ca 0.16 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.36 3i7w s SER 123 Cb -0.00 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.21 3i7w s SER 123 CO -0.01 0.01 0.24 0.52 0.41 0.00 0.00 173.24 174.41