#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4q n GLU 2 N 0.00 2.00 -1.51 -1.58 2.13 -1.26 -4.95 120.64 115.47 1w4q n GLU 2 Ca 0.00 0.71 -0.31 0.00 0.66 0.00 0.00 57.16 58.22 1w4q n GLU 2 Cb 0.00 -2.38 0.06 0.00 0.27 0.00 0.00 31.44 29.39 1w4q n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1w4q s THR 3 N 0.13 3.61 0.26 6.31 -4.23 -1.26 -4.86 115.64 115.60 1w4q s THR 3 Ca 0.71 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.76 1w4q s THR 3 Cb -0.67 -3.16 0.13 0.00 1.34 0.00 0.00 72.50 70.15 1w4q s THR 3 CO 0.48 -0.63 1.78 0.00 -0.54 0.00 0.00 174.62 175.70 1w4q h ALA 4 N -0.68 1.12 -0.59 3.99 0.00 -1.93 -0.42 119.26 120.76 1w4q h ALA 4 Ca -0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1w4q h ALA 4 Cb 1.22 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 1w4q h ALA 4 CO 0.54 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.57 1w4q h ALA 5 N 1.26 0.77 -0.40 0.00 0.00 -1.88 -1.12 119.26 117.89 1w4q h ALA 5 Ca 0.18 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1w4q h ALA 5 Cb 0.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1w4q h ALA 5 CO 0.01 0.42 -0.18 0.00 0.00 0.00 0.00 179.25 179.50 1w4q h ALA 6 N 1.06 0.94 -0.46 0.00 0.00 -1.79 -2.35 119.26 116.66 1w4q h ALA 6 Ca 0.19 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1w4q h ALA 6 Cb 0.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1w4q h ALA 6 CO -0.01 0.61 -0.05 -0.22 0.00 0.00 0.00 179.25 179.58 1w4q h LYS 7 N 0.68 0.79 -0.52 0.00 3.64 -0.80 -1.09 116.57 119.27 1w4q h LYS 7 Ca 0.10 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1w4q h LYS 7 Cb 0.67 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1w4q h LYS 7 CO 0.05 0.83 0.27 0.35 -2.27 0.00 0.00 179.45 178.68 1w4q h PHE 8 N 0.73 0.73 -0.51 1.91 3.57 -0.87 -0.31 116.94 122.20 1w4q h PHE 8 Ca 0.13 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 1w4q h PHE 8 Cb 0.52 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1w4q h PHE 8 CO 0.03 0.56 -0.05 0.93 -2.23 0.00 0.00 178.31 177.55 1w4q h GLU 9 N 0.69 0.90 -0.51 1.11 5.08 -1.06 0.16 114.58 120.96 1w4q h GLU 9 Ca 0.18 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1w4q h GLU 9 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1w4q h GLU 9 CO -0.03 0.92 -0.04 -0.09 -1.00 0.00 0.00 179.01 178.77 1w4q h ARG 10 N 0.82 0.93 0.01 2.33 2.43 -0.88 -1.83 114.38 118.18 1w4q h ARG 10 Ca 0.14 -0.32 -0.24 0.00 -0.81 0.00 0.00 59.98 58.75 1w4q h ARG 10 Cb 0.55 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 1w4q h ARG 10 CO 0.03 0.98 -1.28 1.96 -1.51 0.00 0.00 179.97 180.15 1w4q h GLN 11 N 0.80 0.01 0.00 0.20 4.20 -0.96 -3.42 115.11 115.94 1w4q h GLN 11 Ca 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1w4q h GLN 11 Cb 0.58 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1w4q h GLN 11 CO 0.03 0.82 0.00 0.72 -0.67 0.00 0.00 178.83 179.73 1w4q n HIS 12 N -3.24 0.00 -4.50 2.96 8.25 0.56 -4.64 115.22 114.61 1w4q n HIS 12 Ca -0.07 -0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 56.98 1w4q n HIS 12 Cb 0.99 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.95 1w4q n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1w4q s MET 13 N -0.15 3.47 -0.48 -0.41 -1.94 -0.69 -0.04 119.30 119.05 1w4q s MET 13 Ca 0.00 -0.62 0.06 0.00 -1.71 0.00 0.00 55.69 53.42 1w4q s MET 13 Cb 0.00 -2.79 0.19 0.00 2.01 0.00 0.00 34.83 34.24 1w4q s MET 13 CO 0.00 0.14 0.61 -3.47 -0.01 0.00 0.00 175.02 172.29 1w4q n ASP 14 N 3.77 -2.44 0.00 3.03 2.03 -0.83 -4.84 116.55 117.26 1w4q n ASP 14 Ca -0.18 -2.76 0.02 0.00 0.52 0.00 0.00 54.79 52.39 1w4q n ASP 14 Cb 0.52 0.99 0.12 0.00 -0.72 0.00 0.00 41.12 42.04 1w4q n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1w4q n SER 15 N 2.83 0.00 0.00 1.67 7.64 -1.25 -4.14 113.62 120.36 1w4q n SER 15 Ca 0.21 -1.45 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1w4q n SER 15 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1w4q n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1w4q n SER 16 N -0.58 0.00 -1.67 6.43 3.41 -1.26 -4.85 113.62 115.10 1w4q n SER 16 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1w4q n SER 16 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1w4q n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1w4q n THR 17 N 0.00 0.00 0.05 6.66 -2.24 -1.26 -5.03 114.28 112.45 1w4q n THR 17 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1w4q n THR 17 Cb 0.00 -1.49 -0.14 0.00 -2.10 0.00 0.00 70.33 66.60 1w4q n THR 17 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1w4q h SER 18 N 0.00 0.35 -4.60 3.42 4.64 -1.91 -3.48 113.55 111.98 1w4q h SER 18 Ca 0.00 -0.55 -0.02 0.00 -0.47 0.00 0.00 61.79 60.75 1w4q h SER 18 Cb 0.00 -0.12 -0.20 0.00 -0.31 0.00 0.00 62.40 61.77 1w4q h SER 18 CO 0.00 1.47 0.28 0.00 -0.87 0.00 0.00 176.83 177.71 1w4q s ALA 19 N -2.61 -1.82 0.18 5.18 0.00 -1.26 -4.91 121.76 116.52 1w4q s ALA 19 Ca -0.11 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 1w4q s ALA 19 Cb 0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.74 1w4q s ALA 19 CO 0.84 -0.35 1.36 0.00 0.00 0.00 0.00 175.76 177.61 1w4q s ALA 20 N -0.94 3.56 -0.50 0.00 0.00 -1.26 -4.92 121.76 117.70 1w4q s ALA 20 Ca -0.07 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.05 1w4q s ALA 20 Cb -0.01 -3.51 0.52 0.00 0.00 0.00 0.00 23.12 20.12 1w4q s ALA 20 CO 0.06 -0.59 1.93 0.43 0.00 0.00 0.00 175.76 177.59 1w4q n SER 21 N 3.05 5.37 -3.61 0.00 7.64 -1.26 -4.90 113.62 119.91 1w4q n SER 21 Ca 0.08 -3.56 -0.12 0.00 1.01 0.00 0.00 58.87 56.29 1w4q n SER 21 Cb 0.42 -0.89 -0.07 0.00 -1.01 0.00 0.00 64.21 62.66 1w4q n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1w4q s SER 22 N -1.27 -0.55 0.00 6.43 1.04 -1.26 -5.01 113.70 113.08 1w4q s SER 22 Ca 0.55 0.97 0.24 0.00 0.48 0.00 0.00 55.95 58.19 1w4q s SER 22 Cb 0.45 0.94 1.26 0.00 0.10 0.00 0.00 66.02 68.78 1w4q s SER 22 CO 0.05 -0.26 1.81 -1.54 0.98 0.00 0.00 173.24 174.29 1w4q n SER 23 N 2.02 0.00 -0.64 7.02 3.41 -1.26 -2.52 113.62 121.66 1w4q n SER 23 Ca -0.13 -0.17 0.13 0.00 -0.26 0.00 0.00 58.87 58.44 1w4q n SER 23 Cb 0.56 -0.24 0.36 0.00 -0.26 0.00 0.00 64.21 64.63 1w4q n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1w4q n ASN 24 N -1.24 2.01 -0.12 4.04 2.85 -1.26 -4.32 115.26 117.22 1w4q n ASN 24 Ca 0.13 -1.65 -0.07 0.00 -0.11 0.00 0.00 54.58 52.88 1w4q n ASN 24 Cb 0.18 0.01 -0.00 0.00 1.24 0.00 0.00 39.78 41.21 1w4q n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1w4q h TYR 25 N 3.12 -0.77 -0.63 1.20 3.20 -1.90 -2.36 116.97 118.84 1w4q h TYR 25 Ca 0.00 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1w4q h TYR 25 Cb 0.68 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 1w4q h TYR 25 CO 0.00 -0.35 0.26 0.00 -1.64 0.00 0.00 178.16 176.43 1w4q h ASN 27 N 0.88 1.08 0.19 0.00 2.35 -1.73 0.15 115.58 118.49 1w4q h ASN 27 Ca 0.21 -0.01 -0.31 0.00 -0.55 0.00 0.00 56.30 55.64 1w4q h ASN 27 Cb 0.19 -0.24 0.03 0.00 0.05 0.00 0.00 38.32 38.35 1w4q h ASN 27 CO -0.02 0.73 -1.34 0.06 -1.65 0.00 0.00 177.43 175.21 1w4q h GLN 28 N 1.24 0.58 -0.23 0.81 -0.00 -1.22 -3.20 115.11 113.09 1w4q h GLN 28 Ca 0.40 -0.87 -0.05 0.00 -0.00 0.00 0.00 58.65 58.13 1w4q h GLN 28 Cb 0.02 0.31 -0.01 0.00 -0.00 0.00 0.00 27.48 27.80 1w4q h GLN 28 CO -0.13 1.41 -0.03 0.52 -0.00 0.00 0.00 178.83 180.60 1w4q h MET 29 N 0.18 0.43 -0.32 0.06 2.86 -0.70 -0.22 114.93 117.23 1w4q h MET 29 Ca -0.22 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1w4q h MET 29 Cb 2.03 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.64 1w4q h MET 29 CO 0.25 0.64 0.21 0.52 1.06 0.00 0.00 176.91 179.60 1w4q h MET 30 N 0.18 0.34 0.00 1.72 2.86 -0.85 -0.09 114.93 119.09 1w4q h MET 30 Ca 0.06 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1w4q h MET 30 Cb 0.47 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1w4q h MET 30 CO 0.02 0.22 -0.00 -0.22 1.06 0.00 0.00 176.91 177.99 1w4q h LYS 31 N 0.35 -0.00 -0.24 1.72 3.64 -1.51 0.40 116.57 120.92 1w4q h LYS 31 Ca 0.13 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1w4q h LYS 31 Cb 0.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1w4q h LYS 31 CO -0.03 0.91 0.01 0.66 -2.27 0.00 0.00 179.45 178.73 1w4q h SER 32 N -0.92 0.33 -0.19 4.20 4.64 -0.79 -1.46 113.55 119.36 1w4q h SER 32 Ca -0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1w4q h SER 32 Cb 0.91 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1w4q h SER 32 CO 0.00 0.38 0.00 0.54 -0.87 0.00 0.00 176.83 176.88 1w4q n ARG 33 N -4.35 1.49 -3.52 4.77 5.12 -0.07 -4.90 116.66 115.20 1w4q n ARG 33 Ca 0.01 -0.69 -0.21 0.00 -1.93 0.00 0.00 57.85 55.02 1w4q n ARG 33 Cb 0.20 -1.19 0.08 0.00 -1.16 0.00 0.00 32.46 30.38 1w4q n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1w4q n ASN 34 N 0.07 -4.76 -0.97 0.55 3.02 -0.55 -4.85 115.26 107.76 1w4q n ASN 34 Ca 0.06 -0.56 0.08 0.00 -0.03 0.00 0.00 54.58 54.13 1w4q n ASN 34 Cb 0.19 -4.99 0.24 0.00 -0.61 0.00 0.00 39.78 34.61 1w4q n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1w4q n LEU 35 N -4.62 3.62 -0.22 3.41 4.77 0.13 -4.34 117.00 119.76 1w4q n LEU 35 Ca -0.10 -2.30 0.01 0.00 -0.03 0.00 0.00 56.01 53.60 1w4q n LEU 35 Cb 0.60 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1w4q n LEU 35 CO 0.62 0.77 0.32 0.35 -1.33 0.00 0.00 177.39 178.12 1w4q n THR 36 N 0.57 0.37 0.00 -5.08 -2.24 -1.21 -2.08 114.28 104.60 1w4q n THR 36 Ca 0.18 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1w4q n THR 36 Cb 0.64 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1w4q n THR 36 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1w4q n LYS 37 N -0.25 0.00 0.03 -0.78 3.00 -1.26 -4.07 118.16 114.82 1w4q n LYS 37 Ca 0.02 0.60 0.06 0.00 -0.00 0.00 0.00 58.31 59.00 1w4q n LYS 37 Cb 0.57 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 34.01 1w4q n LYS 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1w4q n ASP 38 N -2.20 0.49 -3.86 3.14 8.00 -1.26 -5.00 116.55 115.86 1w4q n ASP 38 Ca 0.00 0.20 -0.08 0.00 0.71 0.00 0.00 54.79 55.62 1w4q n ASP 38 Cb 0.00 0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 42.01 1w4q n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1w4q s ARG 39 N -3.22 1.70 -0.43 -1.24 3.03 -1.26 -5.09 118.95 112.44 1w4q s ARG 39 Ca -0.04 -1.01 -0.23 0.00 2.03 0.00 0.00 55.73 56.48 1w4q s ARG 39 Cb 0.10 0.58 0.02 0.00 -1.03 0.00 0.00 34.95 34.62 1w4q s ARG 39 CO 0.84 -0.76 0.76 0.00 -1.13 0.00 0.00 175.30 175.01 1w4q s LYS 41 N 3.19 3.95 0.13 0.00 2.20 -0.88 -4.87 119.74 123.45 1w4q s LYS 41 Ca 0.29 2.29 -0.21 0.00 -0.36 0.00 0.00 55.97 57.97 1w4q s LYS 41 Cb -0.13 -4.13 -0.02 0.00 -1.51 0.00 0.00 37.83 32.04 1w4q s LYS 41 CO 0.21 -1.15 1.68 -1.35 -0.36 0.00 0.00 175.35 174.38 1w4q h PRO 42 N 11.04 -0.11 -4.04 4.03 0.11 -1.94 -3.43 132.00 137.67 1w4q h PRO 42 Ca -0.43 0.01 -0.41 0.00 0.11 0.00 0.00 66.00 65.27 1w4q h PRO 42 Cb 1.21 0.02 -0.34 0.00 0.11 0.00 0.00 31.00 32.01 1w4q h PRO 42 CO 0.96 -0.07 -0.77 0.08 -0.21 0.00 0.00 178.00 177.98 1w4q s VAL 43 N -6.17 0.55 -0.16 3.15 1.01 -1.26 -1.02 120.40 116.50 1w4q s VAL 43 Ca -0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1w4q s VAL 43 Cb 0.10 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.97 1w4q s VAL 43 CO 0.68 0.23 0.39 0.21 0.00 0.00 0.00 175.10 176.61 1w4q s ASN 44 N 0.90 -0.48 -0.09 3.32 2.47 0.08 -5.01 114.94 116.13 1w4q s ASN 44 Ca -0.11 0.84 -0.01 0.00 0.42 0.00 0.00 52.86 54.00 1w4q s ASN 44 Cb -0.14 0.74 -0.03 0.00 -1.45 0.00 0.00 41.25 40.37 1w4q s ASN 44 CO 0.00 -0.18 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.26 1w4q s THR 45 N 1.20 3.83 -0.14 -5.21 2.01 -1.26 -0.38 115.64 115.69 1w4q s THR 45 Ca -0.08 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 1w4q s THR 45 Cb -0.08 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.81 1w4q s THR 45 CO -0.10 0.57 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.94 1w4q s PHE 46 N -0.53 2.88 -0.18 4.92 0.08 -0.02 -4.23 117.98 120.91 1w4q s PHE 46 Ca 0.08 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.51 1w4q s PHE 46 Cb -0.12 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 1w4q s PHE 46 CO 0.02 -0.13 0.19 0.08 -0.10 0.00 0.00 175.22 175.27 1w4q s VAL 47 N 0.31 5.38 -0.75 -0.44 1.01 0.94 -0.76 120.40 126.09 1w4q s VAL 47 Ca -0.08 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1w4q s VAL 47 Cb -0.15 -3.52 0.36 0.00 0.00 0.00 0.00 36.38 33.07 1w4q s VAL 47 CO 0.05 0.44 1.67 1.41 0.00 0.00 0.00 175.10 178.66 1w4q n HIS 48 N 3.40 3.15 -4.37 5.22 -0.00 0.10 -1.96 115.22 120.76 1w4q n HIS 48 Ca -0.15 -2.70 -0.19 0.00 -0.00 0.00 0.00 57.72 54.68 1w4q n HIS 48 Cb 0.52 -0.84 -0.10 0.00 -0.00 0.00 0.00 29.99 29.57 1w4q n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1w4q s GLU 49 N -3.93 1.46 0.69 -0.41 0.41 -1.26 -4.61 118.70 111.05 1w4q s GLU 49 Ca 0.49 -1.76 -0.16 0.00 -0.41 0.00 0.00 54.97 53.12 1w4q s GLU 49 Cb 0.38 -0.72 0.02 0.00 -1.78 0.00 0.00 34.13 32.02 1w4q s GLU 49 CO -0.29 -0.12 1.21 -1.54 -0.49 0.00 0.00 175.26 174.02 1w4q s SER 50 N -3.37 4.50 0.35 -0.19 1.04 -1.26 -4.45 113.70 110.31 1w4q s SER 50 Ca 0.32 2.37 0.03 0.00 0.48 0.00 0.00 55.95 59.14 1w4q s SER 50 Cb 0.06 -2.59 0.65 0.00 0.10 0.00 0.00 66.02 64.24 1w4q s SER 50 CO 0.11 -2.06 1.99 0.25 0.98 0.00 0.00 173.24 174.52 1w4q h LEU 51 N 0.05 0.73 -0.42 2.42 5.85 -1.98 -2.07 115.31 119.90 1w4q h LEU 51 Ca -0.48 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.25 1w4q h LEU 51 Cb 1.30 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1w4q h LEU 51 CO 0.51 0.51 0.22 0.00 -0.34 0.00 0.00 178.44 179.35 1w4q h ALA 52 N 1.59 0.52 -0.60 1.25 0.00 -1.99 0.44 119.26 120.48 1w4q h ALA 52 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1w4q h ALA 52 Cb -0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1w4q h ALA 52 CO -0.07 -0.13 0.05 -0.44 0.00 0.00 0.00 179.25 178.66 1w4q h ASP 53 N 0.44 0.97 -0.30 0.00 5.19 -1.75 -1.74 116.42 119.22 1w4q h ASP 53 Ca 0.18 -0.24 -0.11 0.00 -0.62 0.00 0.00 57.03 56.24 1w4q h ASP 53 Cb 0.07 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1w4q h ASP 53 CO -0.11 0.99 -0.23 0.58 -3.12 0.00 0.00 179.24 177.35 1w4q h VAL 54 N 0.93 1.30 -0.01 -1.35 2.07 -1.05 -2.89 116.25 115.25 1w4q h VAL 54 Ca 0.18 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1w4q h VAL 54 Cb 0.47 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1w4q h VAL 54 CO 0.02 0.44 -0.19 1.56 0.02 0.00 0.00 177.57 179.42 1w4q h GLN 55 N 0.44 0.01 0.00 1.57 4.20 -0.82 -1.72 115.11 118.79 1w4q h GLN 55 Ca 0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1w4q h GLN 55 Cb 0.79 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1w4q h GLN 55 CO 0.06 0.20 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 1w4q h ALA 56 N 1.80 1.00 0.00 3.87 0.00 -1.10 -2.71 119.26 122.12 1w4q h ALA 56 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1w4q h ALA 56 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1w4q h ALA 56 CO 0.03 0.00 -0.04 0.28 0.00 0.00 0.00 179.25 179.51 1w4q h VAL 57 N 0.00 0.66 0.00 0.00 2.07 -1.29 -1.14 116.25 116.54 1w4q h VAL 57 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1w4q h VAL 57 Cb 0.32 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1w4q h VAL 57 CO 0.00 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 1w4q n SER 59 N -1.31 2.82 0.00 0.00 7.64 -0.43 -5.00 113.62 117.34 1w4q n SER 59 Ca 0.04 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1w4q n SER 59 Cb 0.07 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1w4q n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1w4q n GLN 60 N -0.34 1.41 -2.23 1.43 6.02 -0.08 -5.02 117.38 118.57 1w4q n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1w4q n GLN 60 Cb 0.53 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.77 1w4q n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1w4q s LYS 61 N 4.47 3.58 -0.03 -1.09 2.20 -1.01 -4.86 119.74 123.00 1w4q s LYS 61 Ca 0.00 1.22 -0.30 0.00 -0.36 0.00 0.00 55.97 56.53 1w4q s LYS 61 Cb 0.00 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 1w4q s LYS 61 CO 0.00 -1.55 1.24 1.21 -0.36 0.00 0.00 175.35 175.88 1w4q s ASN 62 N 4.44 7.02 0.15 1.43 3.04 -1.26 0.34 114.94 130.10 1w4q s ASN 62 Ca 0.67 1.89 -0.03 0.00 0.04 0.00 0.00 52.86 55.44 1w4q s ASN 62 Cb -0.18 -2.56 -0.03 0.00 -1.54 0.00 0.00 41.25 36.94 1w4q s ASN 62 CO 0.31 -0.59 0.13 0.68 -3.04 0.00 0.00 177.10 174.59 1w4q s VAL 63 N 2.11 0.08 0.53 -5.21 -7.23 0.39 -4.93 120.40 106.14 1w4q s VAL 63 Ca 0.58 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 1w4q s VAL 63 Cb -0.26 -2.06 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 1w4q s VAL 63 CO 0.24 -0.36 1.03 0.00 -0.31 0.00 0.00 175.10 175.70 1w4q s ALA 64 N -4.04 2.87 0.55 1.32 0.00 -1.26 -2.23 121.76 118.96 1w4q s ALA 64 Ca 0.24 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1w4q s ALA 64 Cb 0.06 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1w4q s ALA 64 CO 0.03 -0.46 0.76 0.00 0.00 0.00 0.00 175.76 176.09 1w4q h LYS 66 N 0.11 0.00 -0.06 0.00 2.10 -1.92 -2.56 116.57 114.24 1w4q h LYS 66 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1w4q h LYS 66 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1w4q h LYS 66 CO 0.50 0.14 0.00 0.27 -2.00 0.00 0.00 179.45 178.37 1w4q n ASN 67 N -3.89 1.63 0.00 7.07 6.94 -1.26 -4.93 115.26 120.82 1w4q n ASN 67 Ca -0.02 -1.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.96 1w4q n ASN 67 Cb 0.24 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.63 1w4q n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1w4q n GLY 68 N 1.18 3.03 3.78 4.83 0.00 -0.96 -5.07 105.19 111.97 1w4q n GLY 68 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1w4q n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w4q s GLN 69 N -0.88 3.03 -0.37 1.61 -1.52 -1.26 -4.74 119.66 115.54 1w4q s GLN 69 Ca 0.00 1.40 0.06 0.00 -1.95 0.00 0.00 55.36 54.87 1w4q s GLN 69 Cb 0.00 -1.98 0.48 0.00 -0.22 0.00 0.00 33.01 31.29 1w4q s GLN 69 CO 0.00 -1.07 1.49 0.25 -0.25 0.00 0.00 175.29 175.71 1w4q n THR 70 N -2.08 2.76 -1.34 -0.19 -2.24 -1.26 0.01 114.28 109.93 1w4q n THR 70 Ca 0.10 -3.29 -0.14 0.00 -2.27 0.00 0.00 64.05 58.45 1w4q n THR 70 Cb 0.52 -0.76 0.19 0.00 -2.10 0.00 0.00 70.33 68.18 1w4q n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1w4q n ASN 71 N -0.95 3.12 -4.92 3.42 6.94 -1.26 -4.70 115.26 116.91 1w4q n ASN 71 Ca 0.43 -3.70 -0.28 0.00 -0.02 0.00 0.00 54.58 51.01 1w4q n ASN 71 Cb 0.95 -0.74 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 1w4q n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1w4q s TYR 73 N -1.75 0.39 -0.18 0.00 1.51 0.95 -0.46 117.35 117.81 1w4q s TYR 73 Ca 0.37 -0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.28 1w4q s TYR 73 Cb -0.12 -0.37 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 1w4q s TYR 73 CO 0.28 -0.08 0.13 -1.14 -1.11 0.00 0.00 175.55 173.63 1w4q s GLN 74 N 0.53 4.03 0.27 -0.62 0.74 0.15 -1.39 119.66 123.38 1w4q s GLN 74 Ca -0.06 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 54.85 1w4q s GLN 74 Cb -0.09 -3.37 -0.10 0.00 1.10 0.00 0.00 33.01 30.56 1w4q s GLN 74 CO -0.01 0.40 1.36 -1.54 -0.55 0.00 0.00 175.29 174.95 1w4q s SER 75 N 0.08 6.75 0.18 6.67 1.04 0.03 -2.39 113.70 126.06 1w4q s SER 75 Ca 0.09 2.62 -0.09 0.00 0.48 0.00 0.00 55.95 59.05 1w4q s SER 75 Cb -0.11 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.45 1w4q s SER 75 CO -0.01 -0.60 1.63 1.88 0.98 0.00 0.00 173.24 177.12 1w4q h TYR 76 N 4.50 1.15 -2.26 5.02 0.05 -1.94 -3.43 116.97 120.06 1w4q h TYR 76 Ca -0.47 -0.21 -0.46 0.00 0.05 0.00 0.00 58.73 57.64 1w4q h TYR 76 Cb 1.22 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1w4q h TYR 76 CO 0.59 1.03 -0.33 -1.12 -1.05 0.00 0.00 178.16 177.28 1w4q s SER 77 N -6.61 6.19 0.49 3.88 0.01 -1.26 -5.03 113.70 111.36 1w4q s SER 77 Ca -0.11 0.10 -0.15 0.00 1.31 0.00 0.00 55.95 57.10 1w4q s SER 77 Cb 0.13 -1.72 -0.07 0.00 0.21 0.00 0.00 66.02 64.57 1w4q s SER 77 CO 0.86 -0.25 0.92 0.42 0.41 0.00 0.00 173.24 175.60 1w4q s THR 78 N -2.14 4.61 0.10 1.44 -4.23 -1.26 -4.47 115.64 109.69 1w4q s THR 78 Ca 0.39 1.03 0.05 0.00 -1.18 0.00 0.00 61.69 61.98 1w4q s THR 78 Cb -0.09 -3.73 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 1w4q s THR 78 CO 0.32 -0.65 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.56 1w4q s MET 79 N -4.04 0.92 -0.14 3.99 -1.94 0.10 -4.85 119.30 113.34 1w4q s MET 79 Ca 0.56 -1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 53.15 1w4q s MET 79 Cb -0.10 -0.86 -0.02 0.00 2.01 0.00 0.00 34.83 35.86 1w4q s MET 79 CO 0.32 0.18 1.22 0.45 -0.01 0.00 0.00 175.02 177.18 1w4q s SER 80 N -2.10 6.99 0.18 3.03 0.15 -1.26 -2.00 113.70 118.69 1w4q s SER 80 Ca 0.03 1.69 -0.01 0.00 0.70 0.00 0.00 55.95 58.37 1w4q s SER 80 Cb -0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1w4q s SER 80 CO 0.02 -0.70 0.09 0.27 1.20 0.00 0.00 173.24 174.12 1w4q s ILE 81 N 3.12 0.16 -0.09 6.45 -0.00 -0.16 0.00 121.20 130.69 1w4q s ILE 81 Ca 0.54 -1.97 0.00 0.00 -0.00 0.00 0.00 60.65 59.23 1w4q s ILE 81 Cb -0.22 -2.33 0.02 0.00 -0.00 0.00 0.00 42.46 39.94 1w4q s ILE 81 CO 0.16 -0.20 -0.08 -0.89 -0.00 0.00 0.00 174.94 173.93 1w4q s THR 82 N -4.03 0.96 -0.18 8.37 2.01 0.06 -1.07 115.64 121.76 1w4q s THR 82 Ca 0.33 -0.30 -0.13 0.00 0.31 0.00 0.00 61.69 61.90 1w4q s THR 82 Cb 0.07 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 1w4q s THR 82 CO 0.08 0.34 0.27 -1.81 -0.69 0.00 0.00 174.62 172.81 1w4q s ASP 83 N 1.33 6.37 -0.24 3.53 1.01 0.03 -0.84 116.67 127.87 1w4q s ASP 83 Ca -0.03 0.43 -0.03 0.00 0.71 0.00 0.00 52.55 53.63 1w4q s ASP 83 Cb -0.14 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1w4q s ASP 83 CO -0.04 0.09 -0.04 0.00 0.21 0.00 0.00 175.17 175.40 1w4q s ARG 85 N 1.43 1.16 0.42 0.00 3.52 -1.10 -0.74 118.95 123.65 1w4q s ARG 85 Ca 0.04 -0.16 -0.24 0.00 -0.13 0.00 0.00 55.73 55.23 1w4q s ARG 85 Cb -0.15 -1.20 -0.10 0.00 -1.56 0.00 0.00 34.95 31.93 1w4q s ARG 85 CO -0.03 -0.16 1.05 -1.91 -0.81 0.00 0.00 175.30 173.43 1w4q n GLU 86 N 4.50 1.43 -1.33 5.12 2.13 -0.19 -1.49 120.64 130.81 1w4q n GLU 86 Ca -0.17 0.51 -0.29 0.00 0.66 0.00 0.00 57.16 57.87 1w4q n GLU 86 Cb 0.51 -2.09 0.14 0.00 0.27 0.00 0.00 31.44 30.27 1w4q n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1w4q s THR 87 N -1.26 2.36 -1.52 6.31 -4.23 -0.44 -4.80 115.64 112.05 1w4q s THR 87 Ca 0.63 0.12 0.28 0.00 -1.18 0.00 0.00 61.69 61.53 1w4q s THR 87 Cb -0.55 -2.71 0.53 0.00 1.34 0.00 0.00 72.50 71.11 1w4q s THR 87 CO 0.57 -0.15 1.96 0.61 -0.54 0.00 0.00 174.62 177.06 1w4q n GLY 88 N -1.54 -1.14 0.01 3.99 0.00 -1.26 -3.06 105.19 102.19 1w4q n GLY 88 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1w4q n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1w4q n SER 89 N -1.24 0.27 -4.69 1.61 7.64 -1.26 -5.04 113.62 110.90 1w4q n SER 89 Ca 0.14 -0.63 -0.42 0.00 1.01 0.00 0.00 58.87 58.97 1w4q n SER 89 Cb 0.20 0.97 -0.00 0.00 -1.01 0.00 0.00 64.21 64.37 1w4q n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1w4q n SER 90 N -1.07 2.63 -3.67 6.43 2.88 -1.17 -5.01 113.62 114.64 1w4q n SER 90 Ca 0.01 1.17 -0.10 0.00 -1.33 0.00 0.00 58.87 58.63 1w4q n SER 90 Cb 0.08 -1.48 -0.10 0.00 -0.75 0.00 0.00 64.21 61.95 1w4q n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1w4q s LYS 91 N -1.97 0.32 0.50 -1.46 2.20 -1.19 -4.92 119.74 113.21 1w4q s LYS 91 Ca 0.57 0.93 -0.22 0.00 -0.36 0.00 0.00 55.97 56.89 1w4q s LYS 91 Cb -0.55 0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 35.87 1w4q s LYS 91 CO 0.61 -0.23 1.04 0.98 -0.36 0.00 0.00 175.35 177.38 1w4q n TYR 92 N 5.07 1.19 1.95 4.03 9.36 -1.26 -0.70 117.16 136.81 1w4q n TYR 92 Ca -0.12 0.49 0.16 0.00 3.32 0.00 0.00 57.90 61.75 1w4q n TYR 92 Cb 0.51 -2.22 0.90 0.00 -0.63 0.00 0.00 39.34 37.90 1w4q n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1w4q n PRO 93 N -0.33 1.07 -2.79 2.98 -0.04 -1.26 -4.93 135.00 129.69 1w4q n PRO 93 Ca 0.11 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1w4q n PRO 93 Cb 0.43 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1w4q n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1w4q n ASN 94 N -0.87 5.65 -4.71 3.54 4.13 0.13 -5.00 115.26 118.13 1w4q n ASN 94 Ca 0.23 -3.19 -0.42 0.00 1.68 0.00 0.00 54.58 52.88 1w4q n ASN 94 Cb 0.13 -1.40 -0.03 0.00 -1.54 0.00 0.00 39.78 36.94 1w4q n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1w4q s ALA 96 N 1.44 2.06 0.07 0.00 0.00 -1.26 -4.97 121.76 119.10 1w4q s ALA 96 Ca 0.63 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.57 1w4q s ALA 96 Cb -0.33 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1w4q s ALA 96 CO 0.29 0.50 -0.13 0.71 0.00 0.00 0.00 175.76 177.13 1w4q s TYR 97 N -0.56 1.11 -0.17 0.00 2.02 -1.26 -1.33 117.35 117.16 1w4q s TYR 97 Ca 0.09 -0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 56.22 1w4q s TYR 97 Cb -0.10 -0.63 -0.04 0.00 -0.40 0.00 0.00 41.96 40.79 1w4q s TYR 97 CO -0.01 0.03 0.08 0.21 -1.57 0.00 0.00 175.55 174.29 1w4q s LYS 98 N -1.87 3.88 -0.22 -0.62 2.47 -0.56 -4.69 119.74 118.14 1w4q s LYS 98 Ca -0.02 -0.31 -0.11 0.00 -1.56 0.00 0.00 55.97 53.98 1w4q s LYS 98 Cb -0.09 -3.21 -0.05 0.00 -1.46 0.00 0.00 37.83 33.02 1w4q s LYS 98 CO 0.02 0.37 0.16 0.99 0.16 0.00 0.00 175.35 177.04 1w4q s THR 99 N 0.12 5.37 -0.08 3.43 2.01 -1.26 -2.71 115.64 122.51 1w4q s THR 99 Ca 0.06 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 1w4q s THR 99 Cb -0.12 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1w4q s THR 99 CO 0.00 0.38 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.37 1w4q s THR 100 N 0.79 0.74 0.28 -0.82 2.01 -0.79 -4.99 115.64 112.86 1w4q s THR 100 Ca 0.08 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 1w4q s THR 100 Cb -0.13 -0.80 -0.09 0.00 0.01 0.00 0.00 72.50 71.49 1w4q s THR 100 CO 0.02 0.31 0.85 -1.10 -0.69 0.00 0.00 174.62 174.01 1w4q s GLN 101 N 1.58 4.42 0.26 4.92 -0.21 -1.26 -0.79 119.66 128.58 1w4q s GLN 101 Ca 0.01 1.12 -0.16 0.00 0.02 0.00 0.00 55.36 56.34 1w4q s GLN 101 Cb -0.13 -2.81 0.01 0.00 1.00 0.00 0.00 33.01 31.08 1w4q s GLN 101 CO -0.05 0.32 0.58 0.00 -2.12 0.00 0.00 175.29 174.02 1w4q s ALA 102 N -1.60 -0.68 -0.27 6.09 0.00 -0.23 -4.94 121.76 120.14 1w4q s ALA 102 Ca 0.48 -0.62 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 1w4q s ALA 102 Cb -0.17 0.97 0.10 0.00 0.00 0.00 0.00 23.12 24.02 1w4q s ALA 102 CO 0.22 -0.93 0.15 1.21 0.00 0.00 0.00 175.76 176.41 1w4q s ASN 103 N -2.97 3.04 0.31 0.00 3.84 -1.26 -0.98 114.94 116.91 1w4q s ASN 103 Ca 0.17 -1.09 -0.03 0.00 0.21 0.00 0.00 52.86 52.13 1w4q s ASN 103 Cb -0.03 -0.18 -0.01 0.00 -0.55 0.00 0.00 41.25 40.48 1w4q s ASN 103 CO 0.08 -0.42 0.40 -0.54 -2.79 0.00 0.00 177.10 173.83 1w4q s LYS 104 N 2.15 1.73 0.15 0.43 1.02 -0.85 -4.75 119.74 119.62 1w4q s LYS 104 Ca 0.08 -1.69 -0.30 0.00 0.02 0.00 0.00 55.97 54.08 1w4q s LYS 104 Cb -0.16 0.41 -0.07 0.00 -0.52 0.00 0.00 37.83 37.49 1w4q s LYS 104 CO -0.32 -0.69 0.96 -1.01 -0.92 0.00 0.00 175.35 173.37 1w4q s HIS 105 N -3.42 3.86 0.07 3.18 3.76 0.80 0.03 115.29 123.56 1w4q s HIS 105 Ca 0.32 1.83 0.01 0.00 -0.15 0.00 0.00 55.06 57.07 1w4q s HIS 105 Cb 0.01 -3.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 1w4q s HIS 105 CO 0.18 0.27 0.19 0.96 -0.85 0.00 0.00 174.74 175.50 1w4q s ILE 106 N -0.35 5.24 -0.17 0.60 -5.25 -1.26 -0.49 121.20 119.52 1w4q s ILE 106 Ca 0.45 -0.47 0.01 0.00 -0.99 0.00 0.00 60.65 59.65 1w4q s ILE 106 Cb -0.24 -3.56 0.03 0.00 2.95 0.00 0.00 42.46 41.63 1w4q s ILE 106 CO 0.31 0.12 -0.15 -0.63 -1.79 0.00 0.00 174.94 172.80 1w4q s ILE 107 N -1.51 1.71 0.11 8.37 -1.09 0.61 -0.79 121.20 128.61 1w4q s ILE 107 Ca 0.34 -0.80 0.06 0.00 -2.23 0.00 0.00 60.65 58.02 1w4q s ILE 107 Cb -0.13 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 1w4q s ILE 107 CO 0.27 0.41 -0.14 0.68 -1.23 0.00 0.00 174.94 174.93 1w4q s VAL 108 N 1.42 1.29 -0.02 2.92 -7.23 -0.48 -0.65 120.40 117.64 1w4q s VAL 108 Ca 0.03 -1.65 -0.18 0.00 -1.81 0.00 0.00 61.98 58.38 1w4q s VAL 108 Cb -0.14 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1w4q s VAL 108 CO -0.11 -0.39 0.50 0.00 -0.31 0.00 0.00 175.10 174.79 1w4q s ALA 109 N -2.00 3.57 0.01 1.32 0.00 -0.23 -0.03 121.76 124.39 1w4q s ALA 109 Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 51.99 1w4q s ALA 109 Cb -0.06 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1w4q s ALA 109 CO 0.03 0.27 -0.22 0.00 0.00 0.00 0.00 175.76 175.84 1w4q s GLU 111 N -1.03 0.77 0.00 0.00 2.12 -0.64 -4.88 118.70 115.03 1w4q s GLU 111 Ca 0.12 -0.23 0.00 0.00 0.36 0.00 0.00 54.97 55.22 1w4q s GLU 111 Cb -0.10 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.64 1w4q s GLU 111 CO 0.02 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1w4q n GLY 112 N -0.11 -0.26 2.88 -1.50 0.00 -1.26 -3.04 105.19 101.89 1w4q n GLY 112 Ca -0.09 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1w4q n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1w4q s ASN 113 N -1.22 3.86 0.69 1.61 2.47 -1.26 -1.45 114.94 119.64 1w4q s ASN 113 Ca 0.00 -1.33 -0.15 0.00 0.42 0.00 0.00 52.86 51.80 1w4q s ASN 113 Cb 0.00 -1.09 0.02 0.00 -1.45 0.00 0.00 41.25 38.73 1w4q s ASN 113 CO 0.00 -0.30 1.17 -2.16 -3.72 0.00 0.00 177.10 172.10 1w4q s PRO 114 N 1.45 2.44 -0.78 0.43 0.04 -1.26 -5.08 135.00 132.24 1w4q s PRO 114 Ca -0.00 1.64 -0.26 0.00 0.04 0.00 0.00 61.00 62.42 1w4q s PRO 114 Cb -0.18 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1w4q s PRO 114 CO -0.10 -1.58 1.53 -0.47 0.04 0.00 0.00 177.00 176.42 1w4q s TYR 115 N -2.06 2.12 0.30 0.56 5.04 -0.53 -4.86 117.35 117.92 1w4q s TYR 115 Ca 0.72 0.09 0.03 0.00 -2.44 0.00 0.00 57.07 55.46 1w4q s TYR 115 Cb -0.26 -4.44 -0.06 0.00 0.35 0.00 0.00 41.96 37.55 1w4q s TYR 115 CO 0.43 -2.07 0.08 0.14 -1.34 0.00 0.00 175.55 172.78 1w4q s VAL 116 N 6.92 0.90 0.24 3.14 -7.23 -1.17 -4.83 120.40 118.36 1w4q s VAL 116 Ca 0.49 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.36 1w4q s VAL 116 Cb -0.07 -2.71 -0.10 0.00 0.56 0.00 0.00 36.38 34.05 1w4q s VAL 116 CO 0.10 0.00 1.49 -2.84 -0.31 0.00 0.00 175.10 173.54 1w4q s PRO 117 N -3.94 4.23 0.00 4.82 0.02 -1.26 -1.62 135.00 137.25 1w4q s PRO 117 Ca 0.36 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1w4q s PRO 117 Cb 0.08 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.50 1w4q s PRO 117 CO 0.15 -0.50 0.25 1.33 -0.33 0.00 0.00 177.00 177.90 1w4q n VAL 118 N 2.66 0.00 -3.65 3.83 0.24 0.11 -4.45 118.33 117.07 1w4q n VAL 118 Ca 0.09 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 61.97 1w4q n VAL 118 Cb 0.39 1.41 -0.07 0.00 -1.47 0.00 0.00 33.84 34.10 1w4q n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1w4q s HIS 119 N -0.05 -0.75 -0.41 6.34 3.76 -1.22 -4.73 115.29 118.23 1w4q s HIS 119 Ca 0.00 1.82 -0.15 0.00 -0.15 0.00 0.00 55.06 56.58 1w4q s HIS 119 Cb 0.00 0.27 0.02 0.00 1.11 0.00 0.00 32.58 33.99 1w4q s HIS 119 CO 0.00 -0.36 0.30 0.12 -0.85 0.00 0.00 174.74 173.95 1w4q s PHE 120 N 0.42 3.24 -0.13 1.40 2.19 -1.26 -1.07 117.98 122.78 1w4q s PHE 120 Ca -0.01 -0.64 -0.26 0.00 0.33 0.00 0.00 56.93 56.35 1w4q s PHE 120 Cb -0.05 -2.63 -0.26 0.00 -1.31 0.00 0.00 43.02 38.78 1w4q s PHE 120 CO -0.00 -0.61 0.71 0.22 1.83 0.00 0.00 175.22 177.37 1w4q h ASP 121 N 8.63 0.10 -5.99 6.13 3.58 -1.24 -3.49 116.42 124.13 1w4q h ASP 121 Ca -0.27 -0.92 0.42 0.00 0.42 0.00 0.00 57.03 56.67 1w4q h ASP 121 Cb 1.12 -0.03 -0.08 0.00 1.72 0.00 0.00 39.33 42.05 1w4q h ASP 121 CO 0.74 1.16 1.02 0.00 -2.88 0.00 0.00 179.24 179.28 1w4q s ALA 122 N -2.29 -2.80 0.01 -0.78 0.00 -1.09 -4.95 121.76 109.86 1w4q s ALA 122 Ca -0.19 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1w4q s ALA 122 Cb -0.01 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1w4q s ALA 122 CO 0.71 -1.18 -0.10 -1.54 0.00 0.00 0.00 175.76 173.65 1w4q s SER 123 N -3.92 1.18 0.00 0.00 1.04 -1.26 -0.29 113.70 110.45 1w4q s SER 123 Ca 0.32 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1w4q s SER 123 Cb 0.01 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1w4q s SER 123 CO -0.03 0.05 0.10 1.33 0.98 0.00 0.00 173.24 175.67