#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4rsk s GLU 2 N 0.00 4.06 0.90 1.97 2.12 -1.26 -5.07 118.70 121.41 4rsk s GLU 2 Ca 0.00 -0.20 -0.14 0.00 0.36 0.00 0.00 54.97 54.99 4rsk s GLU 2 Cb 0.00 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 31.01 4rsk s GLU 2 CO 0.00 0.39 0.30 0.25 -0.54 0.00 0.00 175.26 175.66 4rsk n THR 3 N 3.24 0.41 -0.29 -1.70 -2.24 -1.26 -4.68 114.28 107.76 4rsk n THR 3 Ca -0.17 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 4rsk n THR 3 Cb 0.53 -0.58 0.07 0.00 -2.10 0.00 0.00 70.33 68.25 4rsk n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 4rsk h ALA 4 N -1.22 1.02 -0.23 6.98 0.00 -1.97 0.13 119.26 123.98 4rsk h ALA 4 Ca -0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 4rsk h ALA 4 Cb 1.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 4rsk h ALA 4 CO 0.35 0.52 0.13 0.00 0.00 0.00 0.00 179.25 180.25 4rsk h ALA 5 N 1.24 0.29 -0.44 0.00 0.00 -1.89 -0.43 119.26 118.03 4rsk h ALA 5 Ca 0.28 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 4rsk h ALA 5 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 4rsk h ALA 5 CO -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.02 4rsk h ALA 6 N 1.01 1.17 -0.52 0.00 0.00 -1.81 -2.23 119.26 116.88 4rsk h ALA 6 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 4rsk h ALA 6 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 4rsk h ALA 6 CO -0.01 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.79 4rsk h ALA 7 N 1.32 1.04 -0.21 0.00 0.00 -0.19 -2.65 119.26 118.58 4rsk h ALA 7 Ca 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 4rsk h ALA 7 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 4rsk h ALA 7 CO 0.02 0.60 0.12 0.35 0.00 0.00 0.00 179.25 180.34 4rsk h PHE 8 N 0.81 0.27 -0.39 0.00 3.04 -0.50 -2.51 116.94 117.66 4rsk h PHE 8 Ca 0.15 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.16 4rsk h PHE 8 Cb 0.47 -0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.84 4rsk h PHE 8 CO 0.03 0.21 0.12 0.93 -2.02 0.00 0.00 178.31 177.58 4rsk h GLU 9 N 0.25 0.26 -0.48 1.11 5.08 -1.24 -1.46 114.58 118.10 4rsk h GLU 9 Ca 0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 4rsk h GLU 9 Cb 0.02 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 4rsk h GLU 9 CO -0.01 0.17 0.26 0.00 -1.00 0.00 0.00 179.01 178.43 4rsk h ALA 10 N 1.27 1.55 0.03 3.43 0.00 -1.35 -1.13 119.26 123.06 4rsk h ALA 10 Ca 0.18 -0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 4rsk h ALA 10 Cb 0.18 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 4rsk h ALA 10 CO -0.20 0.38 -1.55 1.96 0.00 0.00 0.00 179.25 179.83 4rsk h GLN 11 N 0.67 0.06 -0.00 0.00 4.20 -1.21 -3.42 115.11 115.40 4rsk h GLN 11 Ca 0.17 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.78 4rsk h GLN 11 Cb 0.03 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.85 4rsk h GLN 11 CO -0.03 0.75 -0.17 0.72 -0.67 0.00 0.00 178.83 179.43 4rsk n HIS 12 N -3.20 0.00 -3.46 2.96 8.25 -0.57 -4.76 115.22 114.44 4rsk n HIS 12 Ca -0.14 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.94 4rsk n HIS 12 Cb 1.03 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 32.07 4rsk n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 4rsk s MET 13 N -1.26 4.20 -0.44 -0.41 -1.94 -0.43 -0.23 119.30 118.79 4rsk s MET 13 Ca 0.02 0.28 0.06 0.00 -1.71 0.00 0.00 55.69 54.34 4rsk s MET 13 Cb 0.03 -3.38 0.21 0.00 2.01 0.00 0.00 34.83 33.70 4rsk s MET 13 CO 0.15 0.31 0.56 -3.47 -0.01 0.00 0.00 175.02 172.56 4rsk n ASP 14 N 3.23 -1.27 -0.01 3.03 2.03 -0.46 -4.86 116.55 118.25 4rsk n ASP 14 Ca -0.11 -2.73 0.15 0.00 0.52 0.00 0.00 54.79 52.63 4rsk n ASP 14 Cb 0.52 0.26 0.80 0.00 -0.72 0.00 0.00 41.12 41.98 4rsk n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 4rsk n SER 15 N 2.23 0.03 0.24 1.67 7.64 -1.26 -3.97 113.62 120.20 4rsk n SER 15 Ca 0.21 -0.37 0.14 0.00 1.01 0.00 0.00 58.87 59.87 4rsk n SER 15 Cb 0.54 -0.21 0.43 0.00 -1.01 0.00 0.00 64.21 63.96 4rsk n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 4rsk h SER 16 N 0.04 0.00 -4.37 6.43 4.64 -1.93 -3.45 113.55 114.90 4rsk h SER 16 Ca 0.00 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.89 4rsk h SER 16 Cb 0.22 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.10 4rsk h SER 16 CO 0.00 0.00 -0.78 0.42 -0.87 0.00 0.00 176.83 175.60 4rsk s THR 17 N -3.41 1.23 -0.52 2.95 -4.23 -1.25 -5.05 115.64 105.35 4rsk s THR 17 Ca 0.04 -1.41 0.24 0.00 -1.18 0.00 0.00 61.69 59.38 4rsk s THR 17 Cb 0.07 -1.22 0.29 0.00 1.34 0.00 0.00 72.50 72.98 4rsk s THR 17 CO 0.59 -0.24 1.60 0.77 -0.54 0.00 0.00 174.62 176.81 4rsk h SER 18 N 4.13 0.00 -5.25 3.99 4.64 -1.89 -3.44 113.55 115.72 4rsk h SER 18 Ca -0.41 -0.01 0.27 0.00 -0.47 0.00 0.00 61.79 61.17 4rsk h SER 18 Cb 1.19 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 4rsk h SER 18 CO 0.42 0.01 0.75 0.00 -0.87 0.00 0.00 176.83 177.14 4rsk s ALA 19 N -3.19 -2.09 0.15 5.18 0.00 -1.26 -4.90 121.76 115.66 4rsk s ALA 19 Ca 0.08 0.86 -0.32 0.00 0.00 0.00 0.00 51.96 52.58 4rsk s ALA 19 Cb 0.08 0.28 -0.11 0.00 0.00 0.00 0.00 23.12 23.37 4rsk s ALA 19 CO 0.66 -0.91 1.80 0.00 0.00 0.00 0.00 175.76 177.30 4rsk n ALA 20 N -0.37 2.32 0.43 0.00 0.00 -1.26 -4.94 120.51 116.69 4rsk n ALA 20 Ca -0.06 0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.55 4rsk n ALA 20 Cb 0.61 -2.56 -0.08 0.00 0.00 0.00 0.00 19.45 17.42 4rsk n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 4rsk h SER 21 N 7.93 -0.95 -3.26 0.00 4.64 -2.00 -3.49 113.55 116.43 4rsk h SER 21 Ca -0.45 0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 60.69 4rsk h SER 21 Cb 1.22 0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 63.50 4rsk h SER 21 CO 0.95 -0.59 -0.17 -1.54 -0.87 0.00 0.00 176.83 174.61 4rsk n SER 22 N -5.49 -0.59 0.00 4.97 3.41 -1.26 -5.02 113.62 109.63 4rsk n SER 22 Ca -0.14 -2.15 0.07 0.00 -0.26 0.00 0.00 58.87 56.39 4rsk n SER 22 Cb 0.44 1.20 0.30 0.00 -0.26 0.00 0.00 64.21 65.89 4rsk n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 4rsk n SER 23 N -2.05 0.01 -0.58 4.04 3.41 -1.26 -2.38 113.62 114.81 4rsk n SER 23 Ca 0.02 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 4rsk n SER 23 Cb 0.34 -0.50 0.14 0.00 -0.26 0.00 0.00 64.21 63.93 4rsk n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 4rsk n ASN 24 N -1.51 2.08 -0.19 4.04 5.15 -1.26 -4.43 115.26 119.15 4rsk n ASN 24 Ca 0.03 -1.55 -0.03 0.00 -0.60 0.00 0.00 54.58 52.43 4rsk n ASN 24 Cb 0.16 0.24 0.03 0.00 -0.53 0.00 0.00 39.78 39.68 4rsk n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 4rsk h TYR 25 N 2.86 -0.59 -0.71 1.20 5.03 -1.88 -2.28 116.97 120.60 4rsk h TYR 25 Ca 0.00 0.06 0.03 0.00 2.58 0.00 0.00 58.73 61.40 4rsk h TYR 25 Cb 0.76 0.34 -0.05 0.00 1.55 0.00 0.00 36.73 39.33 4rsk h TYR 25 CO 0.00 -0.32 0.44 0.00 -1.32 0.00 0.00 178.16 176.96 4rsk h ASN 27 N 0.85 0.97 0.32 0.00 2.35 -1.72 -1.45 115.58 116.90 4rsk h ASN 27 Ca 0.29 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 4rsk h ASN 27 Cb 0.04 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.18 4rsk h ASN 27 CO -0.12 0.69 -0.15 -0.61 -1.65 0.00 0.00 177.43 175.59 4rsk h GLN 28 N 1.14 -0.41 -0.87 0.81 -0.00 -0.91 -3.29 115.11 111.58 4rsk h GLN 28 Ca 0.33 0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.99 4rsk h GLN 28 Cb -0.07 0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.46 4rsk h GLN 28 CO -0.09 -0.08 0.45 0.52 0.00 0.00 0.00 178.83 179.63 4rsk h MET 29 N -0.84 1.22 -0.03 1.69 2.86 -1.13 -1.44 114.93 117.27 4rsk h MET 29 Ca -0.04 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 4rsk h MET 29 Cb 0.52 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 4rsk h MET 29 CO 0.07 0.91 -0.06 0.52 1.06 0.00 0.00 176.91 179.42 4rsk h MET 30 N 1.22 0.04 0.04 1.72 2.86 -1.39 -1.58 114.93 117.84 4rsk h MET 30 Ca 0.30 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.94 4rsk h MET 30 Cb 0.06 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.72 4rsk h MET 30 CO -0.04 0.10 -0.02 -0.22 1.06 0.00 0.00 176.91 177.79 4rsk h LYS 31 N 0.04 -0.05 -0.98 1.72 3.64 -1.52 0.14 116.57 119.56 4rsk h LYS 31 Ca 0.01 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.63 4rsk h LYS 31 Cb 0.13 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 31.84 4rsk h LYS 31 CO 0.01 0.60 0.55 0.77 -2.27 0.00 0.00 179.45 179.10 4rsk h SER 32 N -0.89 0.60 -0.28 4.20 0.02 -1.01 0.19 113.55 116.39 4rsk h SER 32 Ca -0.01 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 4rsk h SER 32 Cb 0.67 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.26 4rsk h SER 32 CO 0.01 0.09 0.00 0.54 -1.14 0.00 0.00 176.83 176.33 4rsk n ARG 33 N -4.92 1.75 -2.58 3.45 5.12 -0.62 -4.92 116.66 113.94 4rsk n ARG 33 Ca 0.26 -1.15 -0.15 0.00 -1.93 0.00 0.00 57.85 54.88 4rsk n ARG 33 Cb 0.71 -1.30 0.01 0.00 -1.16 0.00 0.00 32.46 30.73 4rsk n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 4rsk n ASN 34 N 0.41 -4.59 -0.21 0.55 3.02 0.67 -4.92 115.26 110.19 4rsk n ASN 34 Ca 0.13 -0.12 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 4rsk n ASN 34 Cb 0.29 -3.57 0.35 0.00 -0.61 0.00 0.00 39.78 36.24 4rsk n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 4rsk n LEU 35 N -2.54 0.96 -0.29 3.41 4.77 0.49 -3.98 117.00 119.82 4rsk n LEU 35 Ca -0.12 -0.23 0.08 0.00 -0.03 0.00 0.00 56.01 55.72 4rsk n LEU 35 Cb 0.60 -0.14 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 4rsk n LEU 35 CO 0.28 0.18 0.52 0.35 -1.33 0.00 0.00 177.39 177.39 4rsk n THR 36 N -0.76 2.02 -0.04 -5.08 -2.24 -1.22 -3.34 114.28 103.62 4rsk n THR 36 Ca 0.11 -2.55 -0.14 0.00 -2.27 0.00 0.00 64.05 59.20 4rsk n THR 36 Cb 0.35 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.25 4rsk n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 4rsk h LYS 37 N 0.40 0.29 0.00 -0.78 3.64 -1.90 -3.38 116.57 114.84 4rsk h LYS 37 Ca 0.01 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 4rsk h LYS 37 Cb 1.04 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 4rsk h LYS 37 CO 0.02 0.81 -1.64 -0.25 -2.27 0.00 0.00 179.45 176.12 4rsk n ASP 38 N -4.53 1.77 -3.08 4.20 8.00 -1.26 -5.05 116.55 116.60 4rsk n ASP 38 Ca -0.08 -0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.35 4rsk n ASP 38 Cb 0.42 1.64 0.02 0.00 -0.02 0.00 0.00 41.12 43.19 4rsk n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4rsk s ARG 39 N -2.98 1.92 -0.41 -1.24 1.70 -1.26 -5.10 118.95 111.58 4rsk s ARG 39 Ca -0.05 -1.23 -0.18 0.00 -0.47 0.00 0.00 55.73 53.79 4rsk s ARG 39 Cb 0.09 0.54 0.02 0.00 -0.57 0.00 0.00 34.95 35.03 4rsk s ARG 39 CO 0.59 -0.90 0.51 0.00 -1.08 0.00 0.00 175.30 174.42 4rsk s LYS 41 N 2.38 4.23 0.10 0.00 2.20 -1.21 -4.91 119.74 122.54 4rsk s LYS 41 Ca 0.16 2.29 -0.15 0.00 -0.36 0.00 0.00 55.97 57.91 4rsk s LYS 41 Cb -0.16 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.82 4rsk s LYS 41 CO 0.15 -0.59 1.42 -1.00 -0.36 0.00 0.00 175.35 174.97 4rsk h PRO 42 N 7.10 0.70 -4.37 4.03 0.13 -1.95 -3.44 132.00 134.20 4rsk h PRO 42 Ca -0.42 -0.36 -0.36 0.00 -0.87 0.00 0.00 66.00 63.98 4rsk h PRO 42 Cb 1.20 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 4rsk h PRO 42 CO 0.91 0.98 -0.77 0.08 -0.23 0.00 0.00 178.00 178.97 4rsk s VAL 43 N -4.38 0.53 -0.24 1.56 1.01 -1.26 -1.41 120.40 116.21 4rsk s VAL 43 Ca -0.12 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 4rsk s VAL 43 Cb 0.09 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 36.06 4rsk s VAL 43 CO 0.83 0.17 0.63 0.21 0.00 0.00 0.00 175.10 176.93 4rsk s ASN 44 N 0.09 -0.68 -0.09 3.32 2.47 -0.84 -5.03 114.94 114.19 4rsk s ASN 44 Ca -0.01 1.28 0.02 0.00 0.42 0.00 0.00 52.86 54.57 4rsk s ASN 44 Cb -0.05 1.28 -0.02 0.00 -1.45 0.00 0.00 41.25 41.01 4rsk s ASN 44 CO -0.00 -0.22 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.12 4rsk s THR 45 N 0.47 2.92 -0.09 -5.21 2.01 -1.26 -1.11 115.64 113.37 4rsk s THR 45 Ca -0.01 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.25 4rsk s THR 45 Cb -0.05 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 4rsk s THR 45 CO -0.01 0.56 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.04 4rsk s PHE 46 N -0.19 2.92 -0.20 4.92 0.08 -0.68 -4.46 117.98 120.37 4rsk s PHE 46 Ca -0.00 -0.14 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 4rsk s PHE 46 Cb -0.13 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.51 4rsk s PHE 46 CO 0.03 0.18 0.07 0.08 -0.10 0.00 0.00 175.22 175.48 4rsk s VAL 47 N -0.43 4.70 -1.01 -0.44 1.01 0.69 -1.50 120.40 123.41 4rsk s VAL 47 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 4rsk s VAL 47 Cb -0.12 -3.14 0.31 0.00 0.00 0.00 0.00 36.38 33.43 4rsk s VAL 47 CO 0.02 0.42 1.46 1.41 0.00 0.00 0.00 175.10 178.42 4rsk n HIS 48 N 3.90 2.51 -4.13 5.22 -0.00 -0.48 -1.35 115.22 120.90 4rsk n HIS 48 Ca -0.16 -2.77 -0.12 0.00 -0.00 0.00 0.00 57.72 54.67 4rsk n HIS 48 Cb 0.52 -1.15 -0.08 0.00 -0.00 0.00 0.00 29.99 29.29 4rsk n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 4rsk s GLU 49 N -3.08 1.46 0.46 -0.41 0.41 -1.26 -4.56 118.70 111.72 4rsk s GLU 49 Ca 0.34 -1.57 -0.20 0.00 -0.41 0.00 0.00 54.97 53.13 4rsk s GLU 49 Cb 0.09 0.36 -0.10 0.00 -1.78 0.00 0.00 34.13 32.71 4rsk s GLU 49 CO 0.05 -0.55 0.99 -1.54 -0.49 0.00 0.00 175.26 173.72 4rsk s SER 50 N -3.15 6.66 0.23 -0.19 1.04 -1.26 -4.34 113.70 112.69 4rsk s SER 50 Ca 0.33 1.79 -0.08 0.00 0.48 0.00 0.00 55.95 58.47 4rsk s SER 50 Cb 0.03 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.99 4rsk s SER 50 CO 0.14 -0.56 1.68 0.25 0.98 0.00 0.00 173.24 175.73 4rsk h LEU 51 N 1.70 -0.07 -0.61 2.42 5.85 -1.99 0.82 115.31 123.42 4rsk h LEU 51 Ca -0.49 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.43 4rsk h LEU 51 Cb 1.20 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 4rsk h LEU 51 CO 0.60 -0.05 0.31 0.00 -0.34 0.00 0.00 178.44 178.96 4rsk h ALA 52 N 1.57 0.81 -0.28 1.25 0.00 -1.99 0.83 119.26 121.45 4rsk h ALA 52 Ca 0.37 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 4rsk h ALA 52 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 4rsk h ALA 52 CO -0.50 -0.03 -0.20 -0.44 0.00 0.00 0.00 179.25 178.08 4rsk h ASP 53 N 0.58 0.51 -0.12 0.00 3.32 -1.25 -1.80 116.42 117.66 4rsk h ASP 53 Ca 0.28 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 4rsk h ASP 53 Cb 0.21 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.62 4rsk h ASP 53 CO -0.20 0.72 -0.21 0.58 -1.72 0.00 0.00 179.24 178.41 4rsk h VAL 54 N 0.46 1.38 -0.32 -1.35 2.07 -0.66 -3.15 116.25 114.69 4rsk h VAL 54 Ca 0.07 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.14 4rsk h VAL 54 Cb 0.61 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 4rsk h VAL 54 CO 0.04 0.43 0.21 1.56 0.02 0.00 0.00 177.57 179.83 4rsk h GLN 55 N -0.06 0.37 0.00 1.57 4.20 -0.77 -1.68 115.11 118.74 4rsk h GLN 55 Ca 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 4rsk h GLN 55 Cb 0.79 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.48 4rsk h GLN 55 CO 0.05 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.46 4rsk h ALA 56 N 1.81 1.00 0.00 3.87 0.00 -1.28 -2.77 119.26 121.89 4rsk h ALA 56 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 4rsk h ALA 56 Cb 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 4rsk h ALA 56 CO -0.03 0.00 -0.07 0.28 0.00 0.00 0.00 179.25 179.43 4rsk h VAL 57 N 0.00 0.68 0.00 0.00 2.07 -1.35 -2.31 116.25 115.35 4rsk h VAL 57 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 4rsk h VAL 57 Cb 0.20 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 4rsk h VAL 57 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 4rsk n SER 59 N -1.05 1.60 0.00 0.00 3.41 -0.87 -5.04 113.62 111.67 4rsk n SER 59 Ca 0.06 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 4rsk n SER 59 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 4rsk n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 4rsk n GLN 60 N -0.34 0.38 -2.57 4.33 6.02 -0.34 -5.01 117.38 119.86 4rsk n GLN 60 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 4rsk n GLN 60 Cb 0.20 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.44 4rsk n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 4rsk s LYS 61 N 3.33 3.81 -0.01 -1.09 2.47 -1.07 -4.88 119.74 122.30 4rsk s LYS 61 Ca 0.00 0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 54.90 4rsk s LYS 61 Cb 0.00 -3.88 -0.05 0.00 -1.46 0.00 0.00 37.83 32.45 4rsk s LYS 61 CO 0.00 -1.26 1.31 1.21 0.16 0.00 0.00 175.35 176.77 4rsk s ASN 62 N 2.45 6.94 0.30 1.43 3.04 -1.26 0.72 114.94 128.56 4rsk s ASN 62 Ca 0.50 2.00 0.04 0.00 0.04 0.00 0.00 52.86 55.44 4rsk s ASN 62 Cb -0.10 -2.56 -0.03 0.00 -1.54 0.00 0.00 41.25 37.02 4rsk s ASN 62 CO 0.27 -0.64 0.21 0.68 -3.04 0.00 0.00 177.10 174.58 4rsk s VAL 63 N 2.16 0.09 0.25 -5.21 -7.23 -0.33 -4.92 120.40 105.21 4rsk s VAL 63 Ca 0.60 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.57 4rsk s VAL 63 Cb -0.29 -2.49 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 4rsk s VAL 63 CO 0.25 0.00 0.76 0.00 -0.31 0.00 0.00 175.10 175.80 4rsk s ALA 64 N -3.63 3.37 0.67 1.32 0.00 -1.26 -3.32 121.76 118.91 4rsk s ALA 64 Ca 0.39 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 4rsk s ALA 64 Cb 0.04 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.30 4rsk s ALA 64 CO 0.21 0.31 1.05 0.00 0.00 0.00 0.00 175.76 177.33 4rsk h ALA 66 N -0.51 1.43 -0.32 0.00 0.00 -1.94 -1.13 119.26 116.80 4rsk h ALA 66 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 4rsk h ALA 66 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 4rsk h ALA 66 CO 0.63 0.02 0.00 0.27 0.00 0.00 0.00 179.25 180.17 4rsk n ASN 67 N -3.73 1.94 0.00 0.00 0.23 -1.26 -4.92 115.26 107.52 4rsk n ASN 67 Ca -0.03 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 4rsk n ASN 67 Cb 0.11 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.59 4rsk n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 4rsk n GLY 68 N 1.11 3.15 3.78 4.83 0.00 -0.43 -5.05 105.19 112.58 4rsk n GLY 68 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 4rsk n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4rsk s GLN 69 N -0.68 2.43 -0.19 1.61 -0.21 -1.26 -4.73 119.66 116.63 4rsk s GLN 69 Ca 0.00 1.14 0.16 0.00 0.02 0.00 0.00 55.36 56.68 4rsk s GLN 69 Cb 0.00 -1.92 0.49 0.00 1.00 0.00 0.00 33.01 32.58 4rsk s GLN 69 CO 0.00 -1.51 1.39 0.25 -2.12 0.00 0.00 175.29 173.30 4rsk n THR 70 N -3.36 2.27 -1.09 -0.19 -2.24 -1.26 -0.19 114.28 108.22 4rsk n THR 70 Ca 0.09 -2.07 -0.25 0.00 -2.27 0.00 0.00 64.05 59.55 4rsk n THR 70 Cb 0.53 -0.26 0.14 0.00 -2.10 0.00 0.00 70.33 68.63 4rsk n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 4rsk n ASN 71 N -0.74 4.82 -4.80 3.42 6.94 -1.26 -4.77 115.26 118.86 4rsk n ASN 71 Ca 0.22 -3.52 -0.30 0.00 -0.02 0.00 0.00 54.58 50.97 4rsk n ASN 71 Cb 0.88 -0.86 -0.06 0.00 -2.36 0.00 0.00 39.78 37.38 4rsk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 4rsk s TYR 73 N -1.47 0.56 -0.15 0.00 1.51 0.08 -1.19 117.35 116.68 4rsk s TYR 73 Ca 0.30 -0.11 -0.07 0.00 -1.01 0.00 0.00 57.07 56.19 4rsk s TYR 73 Cb -0.12 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 4rsk s TYR 73 CO 0.23 -0.04 0.08 -1.14 -1.11 0.00 0.00 175.55 173.57 4rsk s GLN 74 N 0.05 3.68 0.36 -0.62 0.74 0.22 -1.61 119.66 122.47 4rsk s GLN 74 Ca -0.00 -0.29 -0.28 0.00 0.05 0.00 0.00 55.36 54.84 4rsk s GLN 74 Cb -0.04 -3.15 -0.10 0.00 1.10 0.00 0.00 33.01 30.82 4rsk s GLN 74 CO -0.00 0.48 1.27 -1.54 -0.55 0.00 0.00 175.29 174.96 4rsk s SER 75 N -0.22 6.64 0.18 6.67 1.04 -0.34 -2.60 113.70 125.07 4rsk s SER 75 Ca 0.08 2.61 -0.13 0.00 0.48 0.00 0.00 55.95 58.99 4rsk s SER 75 Cb -0.12 -2.64 0.09 0.00 0.10 0.00 0.00 66.02 63.45 4rsk s SER 75 CO 0.01 -0.61 1.84 1.88 0.98 0.00 0.00 173.24 177.34 4rsk h TYR 76 N 3.11 0.71 -1.63 5.02 0.05 -1.95 -3.44 116.97 118.84 4rsk h TYR 76 Ca -0.49 0.02 -0.60 0.00 0.05 0.00 0.00 58.73 57.71 4rsk h TYR 76 Cb 1.23 -0.24 -0.11 0.00 1.01 0.00 0.00 36.73 38.62 4rsk h TYR 76 CO 0.55 0.44 -0.55 -1.54 -1.05 0.00 0.00 178.16 176.01 4rsk s SER 77 N -5.71 4.13 0.62 3.88 1.04 -1.26 -5.09 113.70 111.31 4rsk s SER 77 Ca -0.13 -1.24 -0.14 0.00 0.48 0.00 0.00 55.95 54.93 4rsk s SER 77 Cb 0.13 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 4rsk s SER 77 CO 0.75 -0.49 1.04 0.42 0.98 0.00 0.00 173.24 175.94 4rsk s THR 78 N -2.66 4.14 0.14 2.02 -4.23 -1.26 -4.56 115.64 109.23 4rsk s THR 78 Ca 0.38 0.86 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 4rsk s THR 78 Cb 0.07 -3.52 -0.04 0.00 1.34 0.00 0.00 72.50 70.35 4rsk s THR 78 CO 0.20 -0.75 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.39 4rsk s MET 79 N -4.55 1.03 -0.25 3.99 -1.94 0.70 -4.87 119.30 113.41 4rsk s MET 79 Ca 0.60 -1.42 -0.29 0.00 -1.71 0.00 0.00 55.69 52.87 4rsk s MET 79 Cb -0.14 -0.59 0.01 0.00 2.01 0.00 0.00 34.83 36.13 4rsk s MET 79 CO 0.44 0.07 1.04 0.45 -0.01 0.00 0.00 175.02 177.01 4rsk s SER 80 N -3.09 7.05 0.23 3.03 0.15 -1.26 -2.04 113.70 117.75 4rsk s SER 80 Ca 0.15 1.28 0.02 0.00 0.70 0.00 0.00 55.95 58.11 4rsk s SER 80 Cb 0.02 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.75 4rsk s SER 80 CO 0.00 -0.71 0.03 0.27 1.20 0.00 0.00 173.24 174.03 4rsk s ILE 81 N 3.29 0.78 -0.09 6.45 -4.36 0.05 -1.38 121.20 125.94 4rsk s ILE 81 Ca 0.44 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.81 4rsk s ILE 81 Cb -0.14 -2.39 0.03 0.00 1.25 0.00 0.00 42.46 41.20 4rsk s ILE 81 CO 0.08 -0.25 -0.03 -0.89 0.24 0.00 0.00 174.94 174.09 4rsk s THR 82 N -3.59 0.62 -0.07 8.37 2.01 -0.56 -1.31 115.64 121.10 4rsk s THR 82 Ca 0.30 -0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.10 4rsk s THR 82 Cb 0.07 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.80 4rsk s THR 82 CO 0.09 0.29 0.45 -1.81 -0.69 0.00 0.00 174.62 172.96 4rsk s ASP 83 N 1.87 6.74 -0.13 3.53 1.01 -0.10 -1.69 116.67 127.90 4rsk s ASP 83 Ca 0.05 0.88 0.03 0.00 0.71 0.00 0.00 52.55 54.22 4rsk s ASP 83 Cb -0.12 -2.27 0.01 0.00 1.01 0.00 0.00 42.92 41.54 4rsk s ASP 83 CO -0.06 0.14 -0.22 0.00 0.21 0.00 0.00 175.17 175.23 4rsk s ARG 85 N 0.78 0.74 0.33 0.00 3.52 -0.92 -1.99 118.95 121.41 4rsk s ARG 85 Ca -0.08 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 4rsk s ARG 85 Cb -0.16 -0.74 -0.10 0.00 -1.56 0.00 0.00 34.95 32.39 4rsk s ARG 85 CO -0.01 -0.02 1.37 -2.00 -0.81 0.00 0.00 175.30 173.83 4rsk s GLU 86 N 0.63 4.29 0.70 5.12 2.12 -0.50 -0.49 118.70 130.56 4rsk s GLU 86 Ca -0.08 2.31 -0.11 0.00 0.36 0.00 0.00 54.97 57.45 4rsk s GLU 86 Cb -0.12 -3.05 0.02 0.00 0.26 0.00 0.00 34.13 31.24 4rsk s GLU 86 CO 0.00 -0.30 1.08 0.95 -0.54 0.00 0.00 175.26 176.45 4rsk s THR 87 N -0.95 3.36 0.34 -1.70 -4.23 -0.72 -4.86 115.64 106.87 4rsk s THR 87 Ca 0.51 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 61.52 4rsk s THR 87 Cb -0.42 -3.43 0.06 0.00 1.34 0.00 0.00 72.50 70.06 4rsk s THR 87 CO 0.54 -0.55 1.77 1.23 -0.54 0.00 0.00 174.62 177.07 4rsk h GLY 88 N -0.64 0.05 2.00 3.99 0.00 -1.95 -3.00 103.07 103.52 4rsk h GLY 88 Ca -0.45 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 4rsk h GLY 88 CO 0.64 0.04 -0.43 1.48 0.00 0.00 0.00 176.54 178.27 4rsk h SER 89 N 0.04 0.00 -2.32 0.19 4.64 -1.96 -3.46 113.55 110.67 4rsk h SER 89 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 4rsk h SER 89 Cb 0.76 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.91 4rsk h SER 89 CO 0.06 0.43 0.66 -0.24 -0.87 0.00 0.00 176.83 176.87 4rsk n SER 90 N -3.32 2.69 -3.70 4.97 2.88 -1.14 -5.01 113.62 111.00 4rsk n SER 90 Ca 0.01 1.11 -0.13 0.00 -1.33 0.00 0.00 58.87 58.53 4rsk n SER 90 Cb 0.64 -1.39 -0.14 0.00 -0.75 0.00 0.00 64.21 62.58 4rsk n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 4rsk s LYS 91 N 0.33 0.15 0.27 -1.46 2.20 -1.16 -4.98 119.74 115.09 4rsk s LYS 91 Ca 0.76 0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 56.67 4rsk s LYS 91 Cb -0.71 -0.11 -0.13 0.00 -1.51 0.00 0.00 37.83 35.36 4rsk s LYS 91 CO 0.44 -0.23 1.33 0.98 -0.36 0.00 0.00 175.35 177.51 4rsk n TYR 92 N 4.79 2.07 0.07 4.03 9.36 -1.26 0.40 117.16 136.62 4rsk n TYR 92 Ca -0.16 0.50 0.07 0.00 3.32 0.00 0.00 57.90 61.64 4rsk n TYR 92 Cb 0.51 -2.42 0.25 0.00 -0.63 0.00 0.00 39.34 37.06 4rsk n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 4rsk n PRO 93 N 1.50 2.82 -3.09 2.98 -0.04 -1.26 -5.00 135.00 132.90 4rsk n PRO 93 Ca 0.10 -2.03 -0.45 0.00 -0.04 0.00 0.00 63.50 61.08 4rsk n PRO 93 Cb 0.32 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 4rsk n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 4rsk s ASN 94 N -0.83 6.92 0.01 3.54 0.02 0.16 -5.00 114.94 119.76 4rsk s ASN 94 Ca 0.37 -2.75 -0.23 0.00 -1.02 0.00 0.00 52.86 49.23 4rsk s ASN 94 Cb 0.23 -2.32 -0.05 0.00 0.02 0.00 0.00 41.25 39.12 4rsk s ASN 94 CO 0.19 -0.72 0.70 0.00 0.02 0.00 0.00 177.10 177.29 4rsk s ALA 96 N 0.05 0.47 0.10 0.00 0.00 -1.26 -5.03 121.76 116.08 4rsk s ALA 96 Ca 0.36 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.12 4rsk s ALA 96 Cb -0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.78 4rsk s ALA 96 CO 0.20 0.11 -0.12 0.71 0.00 0.00 0.00 175.76 176.66 4rsk s TYR 97 N -0.14 1.19 -0.17 0.00 1.51 -1.26 -1.76 117.35 116.72 4rsk s TYR 97 Ca 0.02 -0.56 -0.11 0.00 -1.01 0.00 0.00 57.07 55.41 4rsk s TYR 97 Cb -0.02 -0.65 -0.05 0.00 -0.11 0.00 0.00 41.96 41.14 4rsk s TYR 97 CO -0.00 0.06 0.18 0.21 -1.11 0.00 0.00 175.55 174.89 4rsk s LYS 98 N -2.41 4.07 -0.22 -0.62 2.20 0.35 -4.71 119.74 118.40 4rsk s LYS 98 Ca 0.04 -0.10 -0.09 0.00 -0.36 0.00 0.00 55.97 55.46 4rsk s LYS 98 Cb -0.06 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 4rsk s LYS 98 CO 0.02 0.38 0.12 0.99 -0.36 0.00 0.00 175.35 176.50 4rsk s THR 99 N 0.10 5.12 -0.22 3.43 2.01 -1.26 -2.15 115.64 122.66 4rsk s THR 99 Ca 0.12 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 4rsk s THR 99 Cb -0.12 -3.36 0.07 0.00 0.01 0.00 0.00 72.50 69.10 4rsk s THR 99 CO 0.01 0.39 0.04 -0.89 -0.69 0.00 0.00 174.62 173.48 4rsk s THR 100 N 0.80 0.68 0.10 -0.82 2.01 -0.89 -4.99 115.64 112.54 4rsk s THR 100 Ca 0.06 -0.80 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 4rsk s THR 100 Cb -0.13 -1.24 -0.07 0.00 0.01 0.00 0.00 72.50 71.07 4rsk s THR 100 CO 0.02 -0.30 0.58 -1.58 -0.69 0.00 0.00 174.62 172.65 4rsk s GLN 101 N 1.77 4.16 0.17 4.92 2.00 -1.26 -0.93 119.66 130.49 4rsk s GLN 101 Ca 0.01 0.70 -0.23 0.00 -2.00 0.00 0.00 55.36 53.84 4rsk s GLN 101 Cb -0.17 -3.15 0.07 0.00 0.80 0.00 0.00 33.01 30.56 4rsk s GLN 101 CO -0.12 0.59 1.02 0.00 -0.50 0.00 0.00 175.29 176.28 4rsk s ALA 102 N -1.21 -1.62 -0.30 1.58 0.00 -0.43 -5.00 121.76 114.77 4rsk s ALA 102 Ca 0.32 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.14 4rsk s ALA 102 Cb -0.18 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.72 4rsk s ALA 102 CO 0.19 -1.06 -0.02 -0.80 0.00 0.00 0.00 175.76 174.07 4rsk s ASN 103 N -3.25 4.57 0.21 0.00 0.01 -1.26 -0.77 114.94 114.45 4rsk s ASN 103 Ca 0.19 -1.77 -0.00 0.00 -0.71 0.00 0.00 52.86 50.57 4rsk s ASN 103 Cb -0.02 -1.55 -0.04 0.00 0.41 0.00 0.00 41.25 40.05 4rsk s ASN 103 CO 0.04 -0.29 0.14 -0.54 -1.51 0.00 0.00 177.10 174.94 4rsk s LYS 104 N 1.03 1.26 0.31 -0.60 1.02 -0.87 -4.79 119.74 117.11 4rsk s LYS 104 Ca 0.01 -1.67 -0.16 0.00 0.02 0.00 0.00 55.97 54.17 4rsk s LYS 104 Cb -0.19 0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 4rsk s LYS 104 CO -0.07 -0.42 0.75 -1.01 -0.92 0.00 0.00 175.35 173.68 4rsk s HIS 105 N -4.08 3.43 0.21 3.18 3.76 -0.36 -0.21 115.29 121.20 4rsk s HIS 105 Ca 0.39 1.28 0.08 0.00 -0.15 0.00 0.00 55.06 56.66 4rsk s HIS 105 Cb 0.07 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 4rsk s HIS 105 CO 0.14 0.13 0.02 0.96 -0.85 0.00 0.00 174.74 175.13 4rsk s ILE 106 N -1.90 3.71 -0.13 0.60 -4.36 -1.26 -0.50 121.20 117.36 4rsk s ILE 106 Ca 0.52 -1.55 -0.00 0.00 -0.26 0.00 0.00 60.65 59.36 4rsk s ILE 106 Cb -0.12 -2.91 0.03 0.00 1.25 0.00 0.00 42.46 40.71 4rsk s ILE 106 CO 0.18 -0.20 -0.09 -0.63 0.24 0.00 0.00 174.94 174.44 4rsk s ILE 107 N -1.92 1.21 0.16 8.37 1.01 -0.54 -1.20 121.20 128.29 4rsk s ILE 107 Ca 0.29 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.55 4rsk s ILE 107 Cb -0.08 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.13 4rsk s ILE 107 CO 0.19 0.36 -0.14 0.68 0.00 0.00 0.00 174.94 176.03 4rsk s VAL 108 N 1.63 1.50 -0.13 2.92 -7.23 -0.63 -1.46 120.40 116.99 4rsk s VAL 108 Ca 0.04 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 4rsk s VAL 108 Cb -0.13 -1.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 4rsk s VAL 108 CO -0.09 -0.55 0.19 0.00 -0.31 0.00 0.00 175.10 174.34 4rsk s ALA 109 N -2.73 3.77 0.14 1.32 0.00 -0.24 -0.74 121.76 123.28 4rsk s ALA 109 Ca 0.17 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 51.66 4rsk s ALA 109 Cb -0.02 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 4rsk s ALA 109 CO 0.04 0.42 -0.23 0.00 0.00 0.00 0.00 175.76 176.00 4rsk s GLU 111 N -2.25 1.41 0.48 0.00 2.12 -0.11 -4.92 118.70 115.43 4rsk s GLU 111 Ca 0.17 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 54.87 4rsk s GLU 111 Cb -0.10 0.58 0.00 0.00 0.26 0.00 0.00 34.13 34.87 4rsk s GLU 111 CO 0.08 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 4rsk n GLY 112 N -0.40 -2.25 2.62 -1.50 0.00 -1.26 -2.39 105.19 100.00 4rsk n GLY 112 Ca -0.12 -1.67 -0.25 0.00 0.00 0.00 0.00 46.02 43.98 4rsk n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 4rsk s ASN 113 N -3.24 2.61 0.68 1.61 2.47 -1.26 -1.56 114.94 116.25 4rsk s ASN 113 Ca 0.00 -0.86 -0.14 0.00 0.42 0.00 0.00 52.86 52.28 4rsk s ASN 113 Cb 0.00 -0.10 0.01 0.00 -1.45 0.00 0.00 41.25 39.71 4rsk s ASN 113 CO 0.00 -0.39 1.10 -2.16 -3.72 0.00 0.00 177.10 171.93 4rsk s PRO 114 N 2.18 2.72 -0.62 0.43 0.04 -1.26 -5.09 135.00 133.39 4rsk s PRO 114 Ca 0.07 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 4rsk s PRO 114 Cb -0.16 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.45 4rsk s PRO 114 CO -0.24 -1.30 1.41 -0.47 0.04 0.00 0.00 177.00 176.44 4rsk s TYR 115 N -2.49 2.23 0.33 0.56 5.04 -0.60 -4.89 117.35 117.52 4rsk s TYR 115 Ca 0.65 0.35 0.04 0.00 -2.44 0.00 0.00 57.07 55.67 4rsk s TYR 115 Cb -0.19 -4.43 -0.06 0.00 0.35 0.00 0.00 41.96 37.62 4rsk s TYR 115 CO 0.45 -2.02 0.06 0.14 -1.34 0.00 0.00 175.55 172.83 4rsk s VAL 116 N 6.26 1.22 0.20 3.14 -7.23 -1.01 -4.85 120.40 118.13 4rsk s VAL 116 Ca 0.48 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 4rsk s VAL 116 Cb -0.10 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.95 4rsk s VAL 116 CO 0.22 0.00 1.31 -2.84 -0.31 0.00 0.00 175.10 173.48 4rsk s PRO 117 N -3.88 4.38 0.00 4.82 0.02 -1.26 -0.94 135.00 138.14 4rsk s PRO 117 Ca 0.36 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.45 4rsk s PRO 117 Cb 0.09 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.42 4rsk s PRO 117 CO 0.16 -0.26 0.03 1.33 -0.33 0.00 0.00 177.00 177.93 4rsk n VAL 118 N 2.60 0.00 -3.72 3.83 0.24 0.70 -4.59 118.33 117.38 4rsk n VAL 118 Ca 0.06 -0.38 -0.14 0.00 -2.04 0.00 0.00 64.34 61.84 4rsk n VAL 118 Cb 0.43 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.74 4rsk n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 4rsk s HIS 119 N -0.69 -0.25 -0.43 6.34 3.76 -1.14 -4.73 115.29 118.15 4rsk s HIS 119 Ca 0.00 0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 55.19 4rsk s HIS 119 Cb 0.00 0.14 0.08 0.00 1.11 0.00 0.00 32.58 33.91 4rsk s HIS 119 CO 0.00 -0.43 0.29 0.12 -0.85 0.00 0.00 174.74 173.87 4rsk s PHE 120 N -1.33 3.33 -0.06 1.40 2.19 -1.26 -1.08 117.98 121.17 4rsk s PHE 120 Ca -0.13 -1.45 -0.23 0.00 0.33 0.00 0.00 56.93 55.44 4rsk s PHE 120 Cb -0.04 -3.03 -0.27 0.00 -1.31 0.00 0.00 43.02 38.36 4rsk s PHE 120 CO 0.05 -0.85 0.93 0.22 1.83 0.00 0.00 175.22 177.40 4rsk h ASP 121 N 8.47 0.33 0.00 6.13 3.58 -1.60 -3.49 116.42 129.84 4rsk h ASP 121 Ca -0.24 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.32 4rsk h ASP 121 Cb 1.09 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.03 4rsk h ASP 121 CO 0.79 1.19 0.00 0.00 -2.88 0.00 0.00 179.24 178.34 4rsk n ALA 122 N -2.61 0.00 -2.50 -0.78 0.00 -1.19 -4.98 120.51 108.45 4rsk n ALA 122 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.09 4rsk n ALA 122 Cb 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.99 4rsk n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 4rsk s SER 123 N 0.00 2.64 0.00 0.00 1.04 -1.26 -1.46 113.70 114.66 4rsk s SER 123 Ca 0.00 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.67 4rsk s SER 123 Cb 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.97 4rsk s SER 123 CO 0.00 0.03 0.18 0.52 0.98 0.00 0.00 173.24 174.95