#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vs6 n LYS 2 N 0.00 0.88 0.00 0.00 4.76 -1.26 -1.29 118.16 121.25 1vs6 n LYS 2 Ca 0.00 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.74 1vs6 n LYS 2 Cb 0.00 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 1vs6 n LYS 2 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1vs6 n LEU 3 N 6.66 0.00 -0.14 -0.35 0.00 -1.26 -4.59 117.00 117.33 1vs6 n LEU 3 Ca 0.35 0.00 0.12 0.00 0.00 0.00 0.00 56.01 56.47 1vs6 n LEU 3 Cb 0.11 0.00 0.46 0.00 0.00 0.00 0.00 43.42 43.99 1vs6 n LEU 3 CO 0.82 0.00 1.20 -0.74 0.00 0.00 0.00 177.39 178.67 1vs6 h HIS 4 N 0.00 0.54 0.00 1.96 2.76 -1.49 0.14 115.15 119.06 1vs6 h HIS 4 Ca 0.00 0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 1vs6 h HIS 4 Cb 0.00 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1vs6 h HIS 4 CO 0.00 0.25 -0.81 -0.44 -1.30 0.00 0.00 177.93 175.63 1vs6 h ASP 5 N 0.50 0.05 -1.00 3.26 5.19 -1.78 -2.95 116.42 119.69 1vs6 h ASP 5 Ca 0.32 -0.04 0.11 0.00 -0.62 0.00 0.00 57.03 56.80 1vs6 h ASP 5 Cb 0.56 -0.01 -0.08 0.00 0.18 0.00 0.00 39.33 39.97 1vs6 h ASP 5 CO -0.10 0.84 0.63 1.88 -3.12 0.00 0.00 179.24 179.36 1vs6 h TYR 6 N 0.02 1.14 0.00 4.55 0.99 -0.88 1.33 116.97 124.12 1vs6 h TYR 6 Ca -0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1vs6 h TYR 6 Cb 1.43 -0.36 0.00 0.00 1.00 0.00 0.00 36.73 38.80 1vs6 h TYR 6 CO 0.01 0.47 0.00 0.98 -0.00 0.00 0.00 178.16 179.61 1vs6 n TYR 7 N -4.61 0.00 -0.03 4.88 4.19 -0.94 -2.04 117.16 118.60 1vs6 n TYR 7 Ca 0.18 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.30 1vs6 n TYR 7 Cb 0.34 -0.20 -0.03 0.00 0.49 0.00 0.00 39.34 39.93 1vs6 n TYR 7 CO 0.00 0.00 0.00 0.87 0.91 0.00 0.00 176.86 178.64 1vs6 h LYS 8 N 0.00 0.13 -5.05 2.98 1.79 -1.57 1.41 116.57 116.27 1vs6 h LYS 8 Ca 0.00 -0.01 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 1vs6 h LYS 8 Cb 0.00 -0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 30.45 1vs6 h LYS 8 CO 0.00 0.09 0.53 -0.51 -1.08 0.00 0.00 179.45 178.48 1vs6 s ASP 9 N -5.28 6.37 0.00 0.86 1.01 0.45 -4.09 116.67 115.99 1vs6 s ASP 9 Ca -0.13 -1.56 0.00 0.00 0.71 0.00 0.00 52.55 51.57 1vs6 s ASP 9 Cb 0.09 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.64 1vs6 s ASP 9 CO 0.69 -1.19 0.00 -0.62 0.21 0.00 0.00 175.17 174.25 1vs6 n GLU 10 N 6.80 0.00 0.02 8.23 1.02 -1.18 -4.00 120.64 131.53 1vs6 n GLU 10 Ca 0.06 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1vs6 n GLU 10 Cb 0.46 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 1vs6 n GLU 10 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1vs6 n VAL 11 N -2.85 0.00 -0.26 2.62 0.31 -0.82 -4.87 118.33 112.46 1vs6 n VAL 11 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1vs6 n VAL 11 Cb 0.23 -0.30 0.20 0.00 -0.91 0.00 0.00 33.84 33.06 1vs6 n VAL 11 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1vs6 h VAL 12 N 0.00 1.22 -3.10 2.52 2.07 0.18 -3.14 116.25 115.99 1vs6 h VAL 12 Ca 0.00 -0.42 -0.79 0.00 0.82 0.00 0.00 66.70 66.30 1vs6 h VAL 12 Cb 0.00 0.02 -0.26 0.00 -1.52 0.00 0.00 31.29 29.53 1vs6 h VAL 12 CO 0.00 0.22 0.74 0.29 0.02 0.00 0.00 177.57 178.84 1vs6 n LYS 13 N -4.40 3.81 0.00 1.57 4.76 -1.26 -2.00 118.16 120.64 1vs6 n LYS 13 Ca 0.09 -4.37 0.00 0.00 -2.87 0.00 0.00 58.31 51.16 1vs6 n LYS 13 Cb 0.04 -2.61 0.00 0.00 -1.84 0.00 0.00 35.03 30.62 1vs6 n LYS 13 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1vs6 n LYS 14 N 2.67 0.00 0.05 1.97 -0.00 -1.21 -4.83 118.16 116.81 1vs6 n LYS 14 Ca 0.27 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.46 1vs6 n LYS 14 Cb 0.38 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.27 1vs6 n LYS 14 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1vs6 h LEU 15 N 0.00 0.19 -1.96 -5.58 3.38 -1.53 0.33 115.31 110.15 1vs6 h LEU 15 Ca 0.00 -0.25 0.15 0.00 0.09 0.00 0.00 57.88 57.87 1vs6 h LEU 15 Cb 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1vs6 h LEU 15 CO 0.00 1.20 0.38 0.24 0.09 0.00 0.00 178.44 180.35 1vs6 h MET 16 N 0.03 0.04 0.00 1.13 2.86 -1.68 -1.35 114.93 115.96 1vs6 h MET 16 Ca -0.16 -0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.13 1vs6 h MET 16 Cb 1.93 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 33.51 1vs6 h MET 16 CO 0.14 0.03 -2.31 2.41 1.06 0.00 0.00 176.91 178.23 1vs6 n THR 17 N -4.39 1.31 -2.62 2.22 -1.04 -1.19 -2.25 114.28 106.31 1vs6 n THR 17 Ca 0.10 -0.76 -0.43 0.00 -2.04 0.00 0.00 64.05 60.92 1vs6 n THR 17 Cb 0.57 -0.65 -0.02 0.00 -1.82 0.00 0.00 70.33 68.42 1vs6 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1vs6 s GLU 18 N -2.46 3.98 0.00 -2.82 2.56 0.12 -2.13 118.70 117.94 1vs6 s GLU 18 Ca -0.13 0.97 0.00 0.00 0.00 0.00 0.00 54.97 55.81 1vs6 s GLU 18 Cb 0.06 -3.78 0.00 0.00 2.00 0.00 0.00 34.13 32.41 1vs6 s GLU 18 CO 0.74 -1.02 0.00 0.34 -0.56 0.00 0.00 175.26 174.76 1vs6 n PHE 19 N 7.12 0.00 -2.69 5.30 7.35 -1.26 -4.58 117.46 128.71 1vs6 n PHE 19 Ca 0.12 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.77 1vs6 n PHE 19 Cb 0.47 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 1vs6 n PHE 19 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1vs6 n ASN 20 N 1.19 -7.53 0.00 -2.13 5.15 -0.91 -5.08 115.26 105.94 1vs6 n ASN 20 Ca 0.00 0.88 0.00 0.00 -0.60 0.00 0.00 54.58 54.86 1vs6 n ASN 20 Cb 0.00 -5.04 0.00 0.00 -0.53 0.00 0.00 39.78 34.21 1vs6 n ASN 20 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1vs6 n TYR 21 N 0.13 0.00 -0.94 1.20 4.02 -0.96 -4.96 117.16 115.65 1vs6 n TYR 21 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1vs6 n TYR 21 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 1vs6 n TYR 21 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1vs6 n ASN 22 N 0.00 0.00 -4.25 7.72 5.15 -1.26 -4.92 115.26 117.70 1vs6 n ASN 22 Ca 0.00 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.65 1vs6 n ASN 22 Cb 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.09 1vs6 n ASN 22 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1vs6 s SER 23 N 0.00 3.54 0.00 1.20 0.15 -1.26 -4.97 113.70 112.36 1vs6 s SER 23 Ca 0.00 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1vs6 s SER 23 Cb 0.00 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1vs6 s SER 23 CO 0.00 0.09 0.99 1.33 1.20 0.00 0.00 173.24 176.85 1vs6 n VAL 24 N 4.05 1.96 0.05 4.45 0.24 -1.26 -0.40 118.33 127.41 1vs6 n VAL 24 Ca -0.19 0.50 -0.22 0.00 -2.04 0.00 0.00 64.34 62.38 1vs6 n VAL 24 Cb 0.52 -1.50 -0.14 0.00 -1.47 0.00 0.00 33.84 31.24 1vs6 n VAL 24 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1vs6 h MET 25 N 0.00 0.34 0.00 7.34 -1.53 -2.01 -3.26 114.93 115.81 1vs6 h MET 25 Ca 0.00 -0.59 0.00 0.00 -3.44 0.00 0.00 59.70 55.67 1vs6 h MET 25 Cb 0.02 0.22 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 1vs6 h MET 25 CO 0.00 1.28 0.00 0.37 0.14 0.00 0.00 176.91 178.70 1vs6 h GLN 26 N 0.03 0.00 -6.49 0.39 4.15 -1.14 -3.43 115.11 108.62 1vs6 h GLN 26 Ca -0.36 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.49 1vs6 h GLN 26 Cb 2.03 0.00 0.05 0.00 0.21 0.00 0.00 27.48 29.77 1vs6 h GLN 26 CO 0.14 0.00 0.91 0.28 -1.93 0.00 0.00 178.83 178.23 1vs6 n VAL 27 N -2.32 0.13 -1.64 2.39 0.31 -0.95 -4.81 118.33 111.44 1vs6 n VAL 27 Ca 0.01 -0.02 -0.58 0.00 -0.01 0.00 0.00 64.34 63.74 1vs6 n VAL 27 Cb 0.18 -1.72 -0.07 0.00 -0.91 0.00 0.00 33.84 31.32 1vs6 n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1vs6 n PRO 28 N 4.25 0.72 -3.60 5.55 -0.04 -1.26 -4.97 135.00 135.65 1vs6 n PRO 28 Ca 0.18 0.26 -0.21 0.00 -0.04 0.00 0.00 63.50 63.69 1vs6 n PRO 28 Cb 0.31 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 31.87 1vs6 n PRO 28 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1vs6 s ARG 29 N 1.79 2.51 -0.29 0.54 0.52 -1.26 -5.03 118.95 117.73 1vs6 s ARG 29 Ca 0.94 -1.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 1vs6 s ARG 29 Cb -1.15 -2.35 0.08 0.00 0.52 0.00 0.00 34.95 32.05 1vs6 s ARG 29 CO 0.61 -0.20 -0.03 0.08 0.02 0.00 0.00 175.30 175.78 1vs6 s VAL 30 N -2.49 2.02 0.00 3.52 1.01 -1.26 -2.53 120.40 120.68 1vs6 s VAL 30 Ca 0.48 -1.80 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1vs6 s VAL 30 Cb -0.03 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1vs6 s VAL 30 CO 0.27 -0.28 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 1vs6 n GLU 31 N 4.43 0.00 0.00 2.72 1.02 0.06 -4.90 120.64 123.97 1vs6 n GLU 31 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1vs6 n GLU 31 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1vs6 n GLU 31 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1vs6 n LYS 32 N 0.00 3.88 0.14 3.49 2.85 0.12 -4.74 118.16 123.90 1vs6 n LYS 32 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1vs6 n LYS 32 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1vs6 n LYS 32 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1vs6 n ILE 33 N 0.00 0.00 -1.35 0.58 -5.35 -1.08 0.10 119.36 112.26 1vs6 n ILE 33 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1vs6 n ILE 33 Cb 0.00 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 1vs6 n ILE 33 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1vs6 n THR 34 N -3.40 -6.80 0.00 7.28 -1.04 -1.26 -3.18 114.28 105.88 1vs6 n THR 34 Ca 0.00 1.96 0.00 0.00 -2.04 0.00 0.00 64.05 63.97 1vs6 n THR 34 Cb 0.00 -3.44 0.00 0.00 -1.82 0.00 0.00 70.33 65.07 1vs6 n THR 34 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1vs6 n LEU 35 N 0.69 0.00 -0.69 -4.42 4.32 0.07 -0.78 117.00 116.18 1vs6 n LEU 35 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1vs6 n LEU 35 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1vs6 n LEU 35 CO 0.00 0.00 -0.20 -3.20 -1.22 0.00 0.00 177.39 172.77 1vs6 n ASN 36 N -0.23 -4.20 -4.18 -1.43 2.85 0.19 -1.88 115.26 106.37 1vs6 n ASN 36 Ca 0.00 0.59 -0.17 0.00 -0.11 0.00 0.00 54.58 54.89 1vs6 n ASN 36 Cb 0.00 -1.56 -0.12 0.00 1.24 0.00 0.00 39.78 39.35 1vs6 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1vs6 s MET 37 N -4.94 0.84 0.00 1.20 0.23 -1.26 -2.41 119.30 112.95 1vs6 s MET 37 Ca 0.00 -1.02 0.00 0.00 -1.03 0.00 0.00 55.69 53.64 1vs6 s MET 37 Cb 0.00 -0.75 0.00 0.00 -1.53 0.00 0.00 34.83 32.55 1vs6 s MET 37 CO 0.00 0.15 0.00 0.41 -2.03 0.00 0.00 175.02 173.55 1vs6 n GLY 38 N 1.04 3.49 4.01 3.16 0.00 -1.26 -3.49 105.19 112.14 1vs6 n GLY 38 Ca -0.19 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 1vs6 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vs6 n VAL 39 N 0.00 -0.59 -1.05 1.61 0.31 -1.26 -4.85 118.33 112.50 1vs6 n VAL 39 Ca 0.00 -0.29 -0.32 0.00 -0.01 0.00 0.00 64.34 63.72 1vs6 n VAL 39 Cb 0.00 -0.71 0.12 0.00 -0.91 0.00 0.00 33.84 32.35 1vs6 n VAL 39 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1vs6 s GLY 40 N -3.78 1.82 -0.04 2.92 0.00 -1.26 -4.91 107.32 102.07 1vs6 s GLY 40 Ca 0.20 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 45.16 1vs6 s GLY 40 CO 0.84 0.93 1.49 -0.54 0.00 0.00 0.00 173.10 175.82 1vs6 s GLU 41 N -4.57 4.23 0.32 2.90 2.02 -1.26 -4.89 118.70 117.45 1vs6 s GLU 41 Ca 0.66 2.02 0.07 0.00 0.02 0.00 0.00 54.97 57.75 1vs6 s GLU 41 Cb -0.22 -3.76 0.77 0.00 0.10 0.00 0.00 34.13 31.02 1vs6 s GLU 41 CO 0.54 -0.71 1.79 0.00 0.02 0.00 0.00 175.26 176.90 1vs6 h ALA 42 N 8.58 1.74 0.00 5.21 0.00 -1.91 -3.08 119.26 129.79 1vs6 h ALA 42 Ca -0.37 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1vs6 h ALA 42 Cb 1.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1vs6 h ALA 42 CO 0.94 -0.09 -1.29 -0.89 0.00 0.00 0.00 179.25 177.92 1vs6 n ILE 43 N -4.72 0.71 0.00 0.00 5.41 -1.26 -4.73 119.36 114.78 1vs6 n ILE 43 Ca 0.23 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1vs6 n ILE 43 Cb 0.57 -1.68 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 1vs6 n ILE 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1vs6 n ALA 44 N -3.53 1.14 -1.56 -1.39 0.00 -1.25 -4.66 120.51 109.27 1vs6 n ALA 44 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 1vs6 n ALA 44 Cb 0.54 -0.90 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 1vs6 n ALA 44 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vs6 s ASP 45 N -2.37 4.12 0.00 0.00 -1.08 -1.16 -3.71 116.67 112.47 1vs6 s ASP 45 Ca 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1vs6 s ASP 45 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1vs6 s ASP 45 CO 0.00 -3.43 0.00 1.17 0.52 0.00 0.00 175.17 173.43 1vs6 n LYS 46 N 8.91 0.00 -0.18 4.34 3.00 -1.26 -4.95 118.16 128.02 1vs6 n LYS 46 Ca 0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.65 1vs6 n LYS 46 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.53 1vs6 n LYS 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1vs6 h LYS 47 N 0.00 0.75 -6.30 1.64 3.64 -1.99 -3.18 116.57 111.13 1vs6 h LYS 47 Ca 0.00 -0.13 -0.57 0.00 -1.27 0.00 0.00 60.65 58.68 1vs6 h LYS 47 Cb 0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 1vs6 h LYS 47 CO 0.00 0.65 1.13 -0.51 -2.27 0.00 0.00 179.45 178.46 1vs6 s LEU 48 N -9.80 3.83 -0.37 5.20 1.43 -1.24 -2.99 118.68 114.74 1vs6 s LEU 48 Ca -0.13 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1vs6 s LEU 48 Cb 0.12 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1vs6 s LEU 48 CO 0.77 -1.31 0.00 0.18 0.23 0.00 0.00 176.35 176.22 1vs6 n LEU 49 N 8.63 -1.10 -0.01 1.79 4.77 -1.26 -4.35 117.00 125.48 1vs6 n LEU 49 Ca 0.19 0.01 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 1vs6 n LEU 49 Cb 0.46 -0.99 -0.12 0.00 -2.33 0.00 0.00 43.42 40.44 1vs6 n LEU 49 CO 0.65 -0.06 -0.58 -0.90 -1.33 0.00 0.00 177.39 175.17 1vs6 n ASP 50 N 1.21 0.56 -0.28 -1.43 5.75 -1.16 -3.22 116.55 117.98 1vs6 n ASP 50 Ca -0.05 0.25 0.14 0.00 -0.01 0.00 0.00 54.79 55.12 1vs6 n ASP 50 Cb 0.49 0.55 0.60 0.00 -1.03 0.00 0.00 41.12 41.74 1vs6 n ASP 50 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1vs6 n ASN 51 N -2.80 0.94 0.26 -1.12 6.94 -1.26 -3.52 115.26 114.70 1vs6 n ASN 51 Ca -0.15 -1.13 0.12 0.00 -0.02 0.00 0.00 54.58 53.39 1vs6 n ASN 51 Cb 0.91 0.00 0.71 0.00 -2.36 0.00 0.00 39.78 39.05 1vs6 n ASN 51 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vs6 h ALA 52 N 4.05 1.40 0.00 -2.53 0.00 -1.91 -1.51 119.26 118.75 1vs6 h ALA 52 Ca 0.00 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1vs6 h ALA 52 Cb 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1vs6 h ALA 52 CO 0.00 0.14 -1.90 0.00 0.00 0.00 0.00 179.25 177.49 1vs6 n ALA 53 N -2.33 1.82 -0.33 0.00 0.00 -1.23 -4.14 120.51 114.30 1vs6 n ALA 53 Ca -0.02 -0.87 0.31 0.00 0.00 0.00 0.00 53.44 52.86 1vs6 n ALA 53 Cb 0.21 -0.63 0.65 0.00 0.00 0.00 0.00 19.45 19.69 1vs6 n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 h ALA 54 N 1.27 2.76 0.02 0.00 0.00 -1.41 0.19 119.26 122.10 1vs6 h ALA 54 Ca -0.30 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1vs6 h ALA 54 Cb 1.82 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1vs6 h ALA 54 CO 0.04 -1.14 -0.01 0.38 0.00 0.00 0.00 179.25 178.52 1vs6 h ASP 55 N 0.16 -0.03 -0.42 0.00 2.03 -1.70 -3.29 116.42 113.17 1vs6 h ASP 55 Ca 0.59 -0.62 0.12 0.00 -0.73 0.00 0.00 57.03 56.39 1vs6 h ASP 55 Cb 2.00 0.01 -0.02 0.00 -0.83 0.00 0.00 39.33 40.49 1vs6 h ASP 55 CO -0.15 0.76 0.31 0.25 -1.03 0.00 0.00 179.24 179.38 1vs6 h LEU 56 N -0.96 0.00 0.27 0.15 6.46 -1.36 0.22 115.31 120.09 1vs6 h LEU 56 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1vs6 h LEU 56 Cb 0.65 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 1vs6 h LEU 56 CO 0.01 0.00 -0.23 0.00 -0.62 0.00 0.00 178.44 177.59 1vs6 h ALA 57 N 1.77 -0.97 0.00 1.25 0.00 -0.75 -1.93 119.26 118.62 1vs6 h ALA 57 Ca 0.20 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1vs6 h ALA 57 Cb 0.82 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1vs6 h ALA 57 CO -0.00 -0.98 -0.38 0.00 0.00 0.00 0.00 179.25 177.89 1vs6 h ALA 58 N -1.41 1.21 -0.16 0.00 0.00 -1.50 1.79 119.26 119.19 1vs6 h ALA 58 Ca -0.03 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1vs6 h ALA 58 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1vs6 h ALA 58 CO -0.01 0.47 0.11 0.97 0.00 0.00 0.00 179.25 180.79 1vs6 h ILE 59 N 0.00 0.94 0.00 0.00 -0.00 -0.39 -3.09 117.51 114.97 1vs6 h ILE 59 Ca -0.00 -0.01 -0.34 0.00 -0.00 0.00 0.00 64.86 64.50 1vs6 h ILE 59 Cb 0.74 0.90 -0.05 0.00 -0.00 0.00 0.00 36.82 38.41 1vs6 h ILE 59 CO 0.05 0.01 -2.16 -1.20 -0.00 0.00 0.00 178.15 174.85 1vs6 n SER 60 N -4.50 1.76 0.00 2.19 7.64 -0.74 -5.04 113.62 114.93 1vs6 n SER 60 Ca 0.01 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1vs6 n SER 60 Cb 0.21 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1vs6 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vs6 n GLY 61 N 1.93 1.12 0.00 0.23 0.00 0.61 -5.00 105.19 104.08 1vs6 n GLY 61 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1vs6 n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vs6 n GLN 62 N -0.62 3.03 -3.93 1.61 6.02 -0.95 -4.92 117.38 117.62 1vs6 n GLN 62 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.71 1vs6 n GLN 62 Cb 0.00 0.00 -0.17 0.00 1.02 0.00 0.00 30.24 31.09 1vs6 n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1vs6 s LYS 63 N 4.93 1.67 1.11 -1.09 2.47 -1.26 -4.65 119.74 122.93 1vs6 s LYS 63 Ca 0.00 -0.35 -0.15 0.00 -1.56 0.00 0.00 55.97 53.91 1vs6 s LYS 63 Cb 0.00 -1.75 0.18 0.00 -1.46 0.00 0.00 37.83 34.81 1vs6 s LYS 63 CO 0.00 -0.28 0.57 -2.30 0.16 0.00 0.00 175.35 173.50 1vs6 n PRO 64 N 4.90 -1.77 -0.03 4.03 -0.02 -1.26 -4.85 135.00 136.00 1vs6 n PRO 64 Ca -0.13 -0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 60.85 1vs6 n PRO 64 Cb 0.50 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 1vs6 n PRO 64 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1vs6 n LEU 65 N -3.26 0.00 0.00 2.45 7.94 -0.23 -4.97 117.00 118.93 1vs6 n LEU 65 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1vs6 n LEU 65 Cb 0.57 0.12 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1vs6 n LEU 65 CO 0.54 0.12 0.00 -0.38 -1.11 0.00 0.00 177.39 176.56 1vs6 n ILE 66 N -2.10 0.00 -1.96 1.96 5.41 -0.78 -4.84 119.36 117.05 1vs6 n ILE 66 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 1vs6 n ILE 66 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 1vs6 n ILE 66 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1vs6 n THR 67 N -1.56 0.00 -0.63 1.39 -2.24 -1.26 -1.21 114.28 108.78 1vs6 n THR 67 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vs6 n THR 67 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1vs6 n THR 67 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1vs6 n LYS 68 N -0.56 0.00 -3.69 -0.78 2.85 -1.19 -4.09 118.16 110.70 1vs6 n LYS 68 Ca 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1vs6 n LYS 68 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 1vs6 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vs6 s ALA 69 N -1.87 -1.36 -0.44 0.58 0.00 -0.85 -4.62 121.76 113.19 1vs6 s ALA 69 Ca 0.00 1.57 0.12 0.00 0.00 0.00 0.00 51.96 53.65 1vs6 s ALA 69 Cb 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 23.12 22.06 1vs6 s ALA 69 CO 0.00 -0.26 0.45 0.54 0.00 0.00 0.00 175.76 176.49 1vs6 n ARG 70 N 2.88 2.46 -2.11 0.00 1.74 -1.26 -3.51 116.66 116.86 1vs6 n ARG 70 Ca -0.14 -0.02 -0.33 0.00 -0.77 0.00 0.00 57.85 56.59 1vs6 n ARG 70 Cb 0.56 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 1vs6 n ARG 70 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1vs6 s LYS 71 N -2.29 3.44 0.11 5.56 2.36 -1.26 -4.82 119.74 122.84 1vs6 s LYS 71 Ca 0.03 1.15 0.06 0.00 -2.55 0.00 0.00 55.97 54.65 1vs6 s LYS 71 Cb 0.09 -2.05 -0.04 0.00 -1.05 0.00 0.00 37.83 34.78 1vs6 s LYS 71 CO 0.49 -0.70 -0.14 -1.12 1.55 0.00 0.00 175.35 175.43 1vs6 s SER 72 N -2.86 1.92 0.00 1.43 0.01 -1.26 -1.15 113.70 111.79 1vs6 s SER 72 Ca 0.63 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1vs6 s SER 72 Cb -0.15 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1vs6 s SER 72 CO 0.36 -0.14 0.00 0.52 0.41 0.00 0.00 173.24 174.39 1vs6 n VAL 73 N 0.66 0.00 -0.03 3.43 0.31 -0.58 -4.78 118.33 117.35 1vs6 n VAL 73 Ca -0.16 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.15 1vs6 n VAL 73 Cb 0.56 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1vs6 n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vs6 n ALA 74 N 0.17 -0.01 -2.38 3.52 0.00 -1.26 -3.49 120.51 117.06 1vs6 n ALA 74 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 1vs6 n ALA 74 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.42 1vs6 n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vs6 n GLY 75 N 0.13 -0.16 0.00 0.00 0.00 -1.26 -4.63 105.19 99.27 1vs6 n GLY 75 Ca 0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1vs6 n GLY 75 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1vs6 n PHE 76 N -0.57 0.00 -3.11 1.61 -0.00 -1.24 -5.04 117.46 109.10 1vs6 n PHE 76 Ca -0.07 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 57.11 1vs6 n PHE 76 Cb 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 39.48 39.77 1vs6 n PHE 76 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1vs6 n LYS 77 N 0.00 -1.37 -3.71 -4.13 3.00 -1.23 -4.92 118.16 105.80 1vs6 n LYS 77 Ca 0.00 0.91 -0.14 0.00 -0.00 0.00 0.00 58.31 59.08 1vs6 n LYS 77 Cb 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 35.03 33.37 1vs6 n LYS 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1vs6 s ILE 78 N -1.66 0.03 -0.33 3.15 1.01 -1.26 -4.87 121.20 117.28 1vs6 s ILE 78 Ca 0.20 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1vs6 s ILE 78 Cb -0.02 -0.67 0.45 0.00 0.01 0.00 0.00 42.46 42.23 1vs6 s ILE 78 CO 0.68 -0.15 1.17 0.54 0.00 0.00 0.00 174.94 177.17 1vs6 n ARG 79 N 1.60 3.57 -3.12 2.79 1.74 -1.26 -1.52 116.66 120.44 1vs6 n ARG 79 Ca -0.19 -4.26 -0.11 0.00 -0.77 0.00 0.00 57.85 52.51 1vs6 n ARG 79 Cb 0.56 -2.27 0.01 0.00 -1.02 0.00 0.00 32.46 29.74 1vs6 n ARG 79 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1vs6 n GLN 80 N -0.65 -1.85 0.00 5.56 7.27 -0.30 -4.91 117.38 122.50 1vs6 n GLN 80 Ca 0.43 1.65 0.00 0.00 0.07 0.00 0.00 57.00 59.15 1vs6 n GLN 80 Cb 0.89 -4.83 0.00 0.00 2.41 0.00 0.00 30.24 28.70 1vs6 n GLN 80 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1vs6 n GLY 81 N -0.97 0.00 3.84 1.69 0.00 -1.23 -4.89 105.19 103.63 1vs6 n GLY 81 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1vs6 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vs6 s TYR 82 N -0.04 3.43 -0.03 1.61 1.51 -1.26 -4.70 117.35 117.87 1vs6 s TYR 82 Ca 0.00 1.46 -0.15 0.00 -1.01 0.00 0.00 57.07 57.37 1vs6 s TYR 82 Cb 0.00 -2.80 -0.08 0.00 -0.11 0.00 0.00 41.96 38.97 1vs6 s TYR 82 CO 0.00 -0.44 0.62 -1.00 -1.11 0.00 0.00 175.55 173.62 1vs6 h PRO 83 N 0.80 -0.51 -5.98 -1.71 0.13 -1.82 -2.27 132.00 120.64 1vs6 h PRO 83 Ca -0.47 0.03 -0.39 0.00 -0.87 0.00 0.00 66.00 64.31 1vs6 h PRO 83 Cb 1.19 0.12 -0.24 0.00 0.13 0.00 0.00 31.00 32.19 1vs6 h PRO 83 CO 0.61 -0.34 -0.56 0.44 -0.23 0.00 0.00 178.00 177.92 1vs6 n ILE 84 N -5.02 0.00 -3.31 -3.56 -5.35 -1.25 -3.15 119.36 97.71 1vs6 n ILE 84 Ca -0.07 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.41 1vs6 n ILE 84 Cb 0.21 -0.31 -0.00 0.00 -1.74 0.00 0.00 39.64 37.80 1vs6 n ILE 84 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vs6 n GLY 85 N -0.82 2.51 2.09 3.28 0.00 -0.35 -4.06 105.19 107.84 1vs6 n GLY 85 Ca 0.07 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1vs6 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vs6 n LYS 87 N -3.46 0.00 -1.47 0.00 4.81 -1.26 -1.07 118.16 115.71 1vs6 n LYS 87 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vs6 n LYS 87 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vs6 n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1vs6 n VAL 88 N 0.00 -8.89 -4.16 3.15 0.31 -1.26 0.53 118.33 108.02 1vs6 n VAL 88 Ca 0.00 2.15 -0.15 0.00 -0.01 0.00 0.00 64.34 66.33 1vs6 n VAL 88 Cb 0.00 -4.10 -0.11 0.00 -0.91 0.00 0.00 33.84 28.72 1vs6 n VAL 88 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1vs6 s THR 89 N -0.47 0.90 -0.03 2.52 -4.23 -1.26 -0.75 115.64 112.32 1vs6 s THR 89 Ca 0.00 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.02 1vs6 s THR 89 Cb 0.00 -1.19 0.02 0.00 1.34 0.00 0.00 72.50 72.67 1vs6 s THR 89 CO 0.00 -0.48 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.82 1vs6 s LEU 90 N -2.20 1.32 0.00 4.79 1.02 -1.26 -4.87 118.68 117.48 1vs6 s LEU 90 Ca 0.02 -0.08 0.00 0.00 0.02 0.00 0.00 54.13 54.09 1vs6 s LEU 90 Cb -0.05 -0.33 0.00 0.00 0.02 0.00 0.00 46.19 45.83 1vs6 s LEU 90 CO 0.00 -0.06 0.00 -2.11 0.02 0.00 0.00 176.35 174.20 1vs6 n ARG 91 N 3.98 2.77 -0.01 1.70 1.85 -1.26 -2.62 116.66 123.07 1vs6 n ARG 91 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 1vs6 n ARG 91 Cb 0.51 -0.31 0.00 0.00 -1.05 0.00 0.00 32.46 31.61 1vs6 n ARG 91 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1vs6 n GLY 92 N 0.44 -0.43 0.28 2.89 0.00 -1.26 -4.77 105.19 102.34 1vs6 n GLY 92 Ca 0.00 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.43 1vs6 n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vs6 h GLU 93 N 0.00 0.01 0.00 1.61 4.22 -2.01 0.46 114.58 118.87 1vs6 h GLU 93 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1vs6 h GLU 93 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1vs6 h GLU 93 CO 0.00 0.01 0.00 -0.09 -2.18 0.00 0.00 179.01 176.75 1vs6 h ARG 94 N 0.01 0.00 0.00 1.92 2.43 -1.97 -0.91 114.38 115.86 1vs6 h ARG 94 Ca 0.04 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.07 1vs6 h ARG 94 Cb 0.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1vs6 h ARG 94 CO -0.00 0.00 -0.67 1.98 -1.51 0.00 0.00 179.97 179.76 1vs6 h MET 95 N 0.00 0.00 0.00 0.20 4.05 -1.18 -2.46 114.93 115.54 1vs6 h MET 95 Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1vs6 h MET 95 Cb 0.31 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1vs6 h MET 95 CO 0.00 0.67 -0.47 -1.49 0.23 0.00 0.00 176.91 175.85 1vs6 h TRP 96 N 0.00 0.00 0.21 1.39 -0.00 -1.24 -3.23 115.95 113.09 1vs6 h TRP 96 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 1vs6 h TRP 96 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.52 1vs6 h TRP 96 CO 0.00 0.12 -0.10 1.49 -0.00 0.00 0.00 178.44 179.95 1vs6 h GLU 97 N 0.00 -0.28 -0.96 0.49 4.81 -1.27 -2.64 114.58 114.74 1vs6 h GLU 97 Ca -0.01 0.02 0.28 0.00 -0.13 0.00 0.00 59.36 59.51 1vs6 h GLU 97 Cb 1.10 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1vs6 h GLU 97 CO 0.01 -0.18 0.75 0.35 -0.73 0.00 0.00 179.01 179.21 1vs6 h PHE 98 N -0.96 0.00 0.26 0.92 3.57 -1.60 0.54 116.94 119.67 1vs6 h PHE 98 Ca -0.03 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1vs6 h PHE 98 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1vs6 h PHE 98 CO 0.01 0.00 -0.12 0.35 -2.23 0.00 0.00 178.31 176.31 1vs6 h PHE 99 N 0.00 -0.32 0.00 0.41 3.57 -1.58 -1.49 116.94 117.53 1vs6 h PHE 99 Ca 0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.95 1vs6 h PHE 99 Cb 1.94 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.79 1vs6 h PHE 99 CO 0.00 0.05 0.00 -0.85 -2.23 0.00 0.00 178.31 175.28 1vs6 n GLU 100 N -5.05 0.14 -0.57 1.11 -0.00 0.30 0.01 120.64 116.57 1vs6 n GLU 100 Ca -0.09 0.50 0.09 0.00 -0.00 0.00 0.00 57.16 57.66 1vs6 n GLU 100 Cb 0.26 -1.84 0.33 0.00 -0.00 0.00 0.00 31.44 30.20 1vs6 n GLU 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1vs6 n ARG 101 N -2.11 3.53 0.00 3.44 5.12 0.16 -3.90 116.66 122.91 1vs6 n ARG 101 Ca 0.01 -2.64 0.00 0.00 -1.93 0.00 0.00 57.85 53.29 1vs6 n ARG 101 Cb 0.13 -1.85 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 1vs6 n ARG 101 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1vs6 n LEU 102 N 1.03 0.00 -0.33 0.55 7.94 0.10 -4.27 117.00 122.01 1vs6 n LEU 102 Ca 0.24 0.00 0.20 0.00 -1.11 0.00 0.00 56.01 55.34 1vs6 n LEU 102 Cb 0.83 0.00 0.39 0.00 0.53 0.00 0.00 43.42 45.17 1vs6 n LEU 102 CO 0.22 -0.13 0.90 0.16 -1.11 0.00 0.00 177.39 177.43 1vs6 h ILE 103 N 0.00 0.04 0.05 1.96 3.07 -1.72 -2.36 117.51 118.55 1vs6 h ILE 103 Ca 0.00 -0.01 -0.00 0.00 1.55 0.00 0.00 64.86 66.40 1vs6 h ILE 103 Cb 0.00 0.01 0.00 0.00 -0.27 0.00 0.00 36.82 36.56 1vs6 h ILE 103 CO 0.00 0.00 -0.02 0.74 -1.05 0.00 0.00 178.15 177.82 1vs6 h THR 104 N 0.02 0.00 -3.34 0.16 2.02 -1.79 -3.41 112.91 106.57 1vs6 h THR 104 Ca 0.68 -0.20 -0.59 0.00 0.77 0.00 0.00 66.41 67.07 1vs6 h THR 104 Cb 1.56 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.88 1vs6 h THR 104 CO -0.85 0.00 0.50 -0.63 0.37 0.00 0.00 175.52 174.91 1vs6 s ILE 105 N -1.65 4.77 -1.05 3.11 1.01 -0.90 -4.52 121.20 121.97 1vs6 s ILE 105 Ca -0.01 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.09 1vs6 s ILE 105 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1vs6 s ILE 105 CO 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 174.94 174.76 1vs6 n ALA 106 N 6.22 -0.47 -0.33 9.38 0.00 -1.26 -4.20 120.51 129.85 1vs6 n ALA 106 Ca 0.06 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.68 1vs6 n ALA 106 Cb 0.48 -1.29 0.23 0.00 0.00 0.00 0.00 19.45 18.87 1vs6 n ALA 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vs6 h VAL 107 N 0.00 1.04 -3.11 0.00 2.07 -1.76 -3.04 116.25 111.44 1vs6 h VAL 107 Ca -0.24 -0.36 -0.78 0.00 0.82 0.00 0.00 66.70 66.13 1vs6 h VAL 107 Cb 0.94 -0.10 -0.25 0.00 -1.52 0.00 0.00 31.29 30.36 1vs6 h VAL 107 CO 0.32 0.19 0.75 -0.81 0.02 0.00 0.00 177.57 178.04 1vs6 n PRO 108 N -4.51 3.58 -0.10 1.57 -0.04 -1.26 -4.79 135.00 129.45 1vs6 n PRO 108 Ca 0.15 -4.29 0.10 0.00 -0.04 0.00 0.00 63.50 59.41 1vs6 n PRO 108 Cb 0.23 -2.68 0.14 0.00 -0.04 0.00 0.00 33.50 31.15 1vs6 n PRO 108 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1vs6 n ARG 109 N 3.32 2.02 -4.46 0.54 3.00 -1.15 -4.98 116.66 114.94 1vs6 n ARG 109 Ca 0.28 -1.90 -0.26 0.00 -0.00 0.00 0.00 57.85 55.97 1vs6 n ARG 109 Cb 0.39 -1.40 -0.13 0.00 0.00 0.00 0.00 32.46 31.32 1vs6 n ARG 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1vs6 s ILE 110 N -1.42 1.82 -0.76 5.15 1.01 -1.26 -4.99 121.20 120.75 1vs6 s ILE 110 Ca 0.28 -1.46 0.08 0.00 0.00 0.00 0.00 60.65 59.55 1vs6 s ILE 110 Cb 0.18 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 41.10 1vs6 s ILE 110 CO 0.25 0.08 1.24 -1.14 0.00 0.00 0.00 174.94 175.37 1vs6 n ARG 111 N 1.35 0.04 -1.09 2.79 3.00 -1.26 -1.06 116.66 120.43 1vs6 n ARG 111 Ca -0.18 0.52 -0.17 0.00 -0.00 0.00 0.00 57.85 58.01 1vs6 n ARG 111 Cb 0.53 -1.64 0.18 0.00 0.00 0.00 0.00 32.46 31.53 1vs6 n ARG 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1vs6 n ASP 112 N -1.73 3.42 -4.90 6.15 8.00 -1.26 -5.00 116.55 121.23 1vs6 n ASP 112 Ca -0.00 -3.69 -0.29 0.00 0.71 0.00 0.00 54.79 51.52 1vs6 n ASP 112 Cb 0.03 -0.76 0.03 0.00 -0.02 0.00 0.00 41.12 40.40 1vs6 n ASP 112 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1vs6 s PHE 113 N -3.31 3.37 0.00 1.24 5.36 -0.23 -4.93 117.98 119.48 1vs6 s PHE 113 Ca 0.52 0.91 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1vs6 s PHE 113 Cb 0.45 -2.81 0.00 0.00 -0.34 0.00 0.00 43.02 40.32 1vs6 s PHE 113 CO 0.06 -0.88 0.00 -2.13 -1.46 0.00 0.00 175.22 170.81 1vs6 n ARG 114 N -2.73 0.00 0.00 10.12 3.00 -1.26 -5.09 116.66 120.70 1vs6 n ARG 114 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.90 1vs6 n ARG 114 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1vs6 n ARG 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vs6 n GLY 115 N 0.00 0.52 3.93 5.14 0.00 -1.26 -3.63 105.19 109.89 1vs6 n GLY 115 Ca 0.00 -2.17 -0.26 0.00 0.00 0.00 0.00 46.02 43.59 1vs6 n GLY 115 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vs6 s LEU 116 N 0.00 4.19 0.08 0.99 1.43 -1.14 -4.63 118.68 119.61 1vs6 s LEU 116 Ca 0.00 0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 1vs6 s LEU 116 Cb 0.00 -3.19 -0.07 0.00 0.03 0.00 0.00 46.19 42.96 1vs6 s LEU 116 CO 0.00 -0.10 1.41 -0.55 0.23 0.00 0.00 176.35 177.34 1vs6 s SER 117 N -3.39 6.82 -0.04 2.29 0.15 -1.26 -4.35 113.70 113.92 1vs6 s SER 117 Ca 0.39 2.28 -0.25 0.00 0.70 0.00 0.00 55.95 59.07 1vs6 s SER 117 Cb -0.11 -2.58 -0.21 0.00 -1.71 0.00 0.00 66.02 61.41 1vs6 s SER 117 CO 0.30 -0.68 1.12 0.00 1.20 0.00 0.00 173.24 175.18 1vs6 h ALA 118 N 7.15 0.05 -1.02 5.45 0.00 -1.97 -3.36 119.26 125.56 1vs6 h ALA 118 Ca -0.41 -0.38 -0.76 0.00 0.00 0.00 0.00 54.91 53.35 1vs6 h ALA 118 Cb 1.20 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.82 1vs6 h ALA 118 CO 0.88 -0.03 1.88 1.63 0.00 0.00 0.00 179.25 183.61 1vs6 n LYS 119 N -4.63 3.98 -0.03 0.00 5.02 -1.26 -4.38 118.16 116.85 1vs6 n LYS 119 Ca -0.09 -3.71 0.00 0.00 -2.02 0.00 0.00 58.31 52.50 1vs6 n LYS 119 Cb 0.40 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.62 1vs6 n LYS 119 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1vs6 n SER 120 N 2.97 0.56 -4.72 4.39 3.41 -1.26 -5.07 113.62 113.91 1vs6 n SER 120 Ca 0.42 -1.37 -0.42 0.00 -0.26 0.00 0.00 58.87 57.24 1vs6 n SER 120 Cb 0.33 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1vs6 n SER 120 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1vs6 s PHE 121 N -0.32 3.52 -1.55 7.33 0.40 -1.26 -2.80 117.98 123.30 1vs6 s PHE 121 Ca 0.01 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 1vs6 s PHE 121 Cb 0.01 -3.32 0.00 0.00 0.51 0.00 0.00 43.02 40.22 1vs6 s PHE 121 CO 0.00 -0.84 0.44 -0.40 0.70 0.00 0.00 175.22 175.11 1vs6 n ASP 122 N 3.61 0.00 0.00 1.36 3.85 0.14 -4.72 116.55 120.78 1vs6 n ASP 122 Ca 0.07 0.03 0.00 0.00 -0.71 0.00 0.00 54.79 54.18 1vs6 n ASP 122 Cb 0.47 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 1vs6 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vs6 n GLY 123 N -0.94 3.04 0.00 6.12 0.00 -1.26 -4.83 105.19 107.33 1vs6 n GLY 123 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vs6 n GLY 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1vs6 n ARG 124 N -1.35 -0.04 0.00 1.61 0.63 -1.26 -3.18 116.66 113.07 1vs6 n ARG 124 Ca 0.00 -0.39 0.00 0.00 -0.92 0.00 0.00 57.85 56.54 1vs6 n ARG 124 Cb 0.00 -0.73 0.00 0.00 0.45 0.00 0.00 32.46 32.18 1vs6 n ARG 124 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vs6 n GLY 125 N -0.05 1.34 3.44 5.14 0.00 -1.25 -1.89 105.19 111.93 1vs6 n GLY 125 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1vs6 n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vs6 n ASN 126 N 0.00 -1.35 -4.35 1.61 5.03 -1.26 -4.57 115.26 110.37 1vs6 n ASN 126 Ca 0.00 0.68 -0.32 0.00 0.87 0.00 0.00 54.58 55.81 1vs6 n ASN 126 Cb 0.00 -1.15 -0.15 0.00 -1.02 0.00 0.00 39.78 37.46 1vs6 n ASN 126 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1vs6 s TYR 127 N -1.79 2.56 -0.38 3.10 5.04 -1.20 0.26 117.35 124.95 1vs6 s TYR 127 Ca 0.67 -0.49 -0.12 0.00 -2.44 0.00 0.00 57.07 54.69 1vs6 s TYR 127 Cb -0.42 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.29 1vs6 s TYR 127 CO 0.56 -0.06 0.22 -1.12 -1.34 0.00 0.00 175.55 173.81 1vs6 s SER 128 N -0.33 5.80 0.96 4.32 0.01 -1.12 -2.19 113.70 121.14 1vs6 s SER 128 Ca 0.02 -0.94 -0.14 0.00 1.31 0.00 0.00 55.95 56.20 1vs6 s SER 128 Cb -0.13 -2.05 0.21 0.00 0.21 0.00 0.00 66.02 64.26 1vs6 s SER 128 CO 0.02 -0.39 1.26 0.80 0.41 0.00 0.00 173.24 175.35 1vs6 n MET 129 N 5.03 -1.09 0.00 12.44 1.56 -0.07 -4.97 117.12 130.02 1vs6 n MET 129 Ca -0.12 -2.15 0.00 0.00 -0.27 0.00 0.00 57.70 55.16 1vs6 n MET 129 Cb 0.46 -1.24 0.00 0.00 2.15 0.00 0.00 33.22 34.60 1vs6 n MET 129 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1vs6 n GLY 130 N -3.45 -0.31 0.91 -5.12 0.00 -1.05 -4.45 105.19 91.73 1vs6 n GLY 130 Ca 0.16 0.50 0.11 0.00 0.00 0.00 0.00 46.02 46.80 1vs6 n GLY 130 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vs6 n VAL 131 N 0.00 -0.27 0.00 1.61 0.31 -1.26 -4.37 118.33 114.36 1vs6 n VAL 131 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 1vs6 n VAL 131 Cb 0.00 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 1vs6 n VAL 131 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1vs6 n ARG 132 N -3.58 0.00 0.00 5.55 0.00 -1.26 -4.45 116.66 112.92 1vs6 n ARG 132 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1vs6 n ARG 132 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.89 1vs6 n ARG 132 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1vs6 n GLU 133 N -0.43 3.20 -1.12 -0.14 4.07 -1.26 -2.73 120.64 122.23 1vs6 n GLU 133 Ca 0.00 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.25 1vs6 n GLU 133 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 1vs6 n GLU 133 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1vs6 n GLN 134 N 0.00 -2.33 -0.06 5.31 1.13 -1.26 -4.71 117.38 115.45 1vs6 n GLN 134 Ca 0.00 1.62 -0.22 0.00 -1.94 0.00 0.00 57.00 56.47 1vs6 n GLN 134 Cb 0.00 -2.82 -0.13 0.00 0.11 0.00 0.00 30.24 27.41 1vs6 n GLN 134 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 1vs6 n ILE 135 N -3.68 1.64 0.00 5.09 3.06 -1.26 -4.91 119.36 119.30 1vs6 n ILE 135 Ca -0.01 -0.44 0.00 0.00 -2.50 0.00 0.00 62.75 59.80 1vs6 n ILE 135 Cb 0.52 -1.78 0.00 0.00 0.54 0.00 0.00 39.64 38.91 1vs6 n ILE 135 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 1vs6 n ILE 136 N -3.79 0.00 -3.33 9.51 -0.00 -1.26 -4.59 119.36 115.89 1vs6 n ILE 136 Ca -0.37 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.12 1vs6 n ILE 136 Cb 0.92 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.49 1vs6 n ILE 136 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 176.55 177.04 1vs6 n PHE 137 N -0.10 2.85 -1.57 1.39 3.72 -1.26 -4.48 117.46 118.02 1vs6 n PHE 137 Ca 0.00 -4.02 -0.48 0.00 -0.05 0.00 0.00 57.45 52.89 1vs6 n PHE 137 Cb 0.00 -0.51 -0.04 0.00 -0.94 0.00 0.00 39.48 37.99 1vs6 n PHE 137 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1vs6 n PRO 138 N 0.84 1.10 0.00 -1.08 -0.02 -1.26 -4.74 135.00 129.84 1vs6 n PRO 138 Ca 0.28 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1vs6 n PRO 138 Cb 0.44 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1vs6 n PRO 138 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1vs6 n GLU 139 N 1.51 0.00 -4.34 -0.52 0.28 -1.26 -5.14 120.64 111.17 1vs6 n GLU 139 Ca 0.14 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.91 1vs6 n GLU 139 Cb 0.26 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.01 1vs6 n GLU 139 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1vs6 s ILE 140 N 0.00 1.88 0.51 3.84 1.01 -1.26 -5.01 121.20 122.17 1vs6 s ILE 140 Ca 0.00 -1.84 0.30 0.00 0.00 0.00 0.00 60.65 59.12 1vs6 s ILE 140 Cb 0.00 -1.82 0.49 0.00 0.01 0.00 0.00 42.46 41.14 1vs6 s ILE 140 CO 0.00 -0.21 1.83 0.44 0.00 0.00 0.00 174.94 177.00 1vs6 h ASP 141 N 3.47 0.11 -5.83 3.58 5.19 -2.03 -3.45 116.42 117.46 1vs6 h ASP 141 Ca -0.44 0.02 -0.36 0.00 -0.62 0.00 0.00 57.03 55.63 1vs6 h ASP 141 Cb 1.20 0.00 0.12 0.00 0.18 0.00 0.00 39.33 40.83 1vs6 h ASP 141 CO 0.47 0.03 -0.81 0.00 -3.12 0.00 0.00 179.24 175.81 1vs6 n TYR 142 N -4.32 -2.09 -2.04 4.55 9.36 -1.26 -4.86 117.16 116.51 1vs6 n TYR 142 Ca 0.23 0.87 -0.02 0.00 3.32 0.00 0.00 57.90 62.30 1vs6 n TYR 142 Cb 1.06 -4.66 -0.03 0.00 -0.63 0.00 0.00 39.34 35.09 1vs6 n TYR 142 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1vs6 n ASP 143 N -3.09 -0.30 0.00 2.98 5.68 -1.26 -4.88 116.55 115.67 1vs6 n ASP 143 Ca -0.27 -1.54 0.00 0.00 -0.50 0.00 0.00 54.79 52.48 1vs6 n ASP 143 Cb 0.67 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.72 1vs6 n ASP 143 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1vs6 n LYS 144 N 0.04 2.61 -1.64 0.11 4.81 -1.26 -5.11 118.16 117.72 1vs6 n LYS 144 Ca -0.10 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 56.84 1vs6 n LYS 144 Cb 0.64 -0.34 -0.05 0.00 0.02 0.00 0.00 35.03 35.30 1vs6 n LYS 144 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1vs6 n VAL 145 N -0.17 0.10 -3.09 3.15 0.24 -1.26 -4.92 118.33 112.37 1vs6 n VAL 145 Ca 0.00 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.34 62.00 1vs6 n VAL 145 Cb 0.00 -1.24 -0.05 0.00 -1.47 0.00 0.00 33.84 31.08 1vs6 n VAL 145 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1vs6 n ASP 146 N 3.61 4.44 -3.61 -1.34 9.92 -1.26 -4.93 116.55 123.37 1vs6 n ASP 146 Ca 0.19 -3.60 -0.28 0.00 -0.53 0.00 0.00 54.79 50.56 1vs6 n ASP 146 Cb 0.23 -0.64 0.02 0.00 -0.64 0.00 0.00 41.12 40.08 1vs6 n ASP 146 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1vs6 n ARG 147 N 0.16 -1.72 -1.00 -1.24 0.00 -1.26 -4.66 116.66 106.95 1vs6 n ARG 147 Ca 0.31 1.11 -0.42 0.00 -0.00 0.00 0.00 57.85 58.85 1vs6 n ARG 147 Cb 0.39 -2.50 -0.06 0.00 0.00 0.00 0.00 32.46 30.28 1vs6 n ARG 147 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1vs6 n VAL 148 N -1.55 1.51 -1.36 5.15 0.31 -1.26 -4.55 118.33 116.58 1vs6 n VAL 148 Ca -0.20 -1.28 0.00 0.00 -0.01 0.00 0.00 64.34 62.85 1vs6 n VAL 148 Cb 0.67 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 1vs6 n VAL 148 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1vs6 n ARG 149 N 6.97 -1.69 0.00 5.55 5.12 -1.26 -4.68 116.66 126.67 1vs6 n ARG 149 Ca 0.48 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.40 1vs6 n ARG 149 Cb 0.38 -2.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.02 1vs6 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vs6 n GLY 150 N -0.20 0.46 3.18 -0.13 0.00 -1.25 -4.54 105.19 102.71 1vs6 n GLY 150 Ca 0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1vs6 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vs6 s LEU 151 N 0.00 1.30 0.00 0.99 1.02 -1.10 -4.77 118.68 116.11 1vs6 s LEU 151 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1vs6 s LEU 151 Cb 0.00 0.99 0.00 0.00 0.02 0.00 0.00 46.19 47.20 1vs6 s LEU 151 CO 0.00 -0.53 0.00 -0.67 0.02 0.00 0.00 176.35 175.17 1vs6 n ASP 152 N 0.82 0.00 -1.41 2.29 -0.08 -1.01 -4.46 116.55 112.69 1vs6 n ASP 152 Ca -0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.08 1vs6 n ASP 152 Cb 0.58 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1vs6 n ASP 152 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1vs6 n ILE 153 N -1.98 -4.64 -3.32 5.18 5.41 -0.79 -2.52 119.36 116.70 1vs6 n ILE 153 Ca 0.00 2.03 -0.19 0.00 1.00 0.00 0.00 62.75 65.59 1vs6 n ILE 153 Cb 0.00 -2.86 -0.08 0.00 -0.71 0.00 0.00 39.64 35.99 1vs6 n ILE 153 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1vs6 s THR 154 N -2.03 -0.22 -0.18 1.39 2.01 0.04 -0.90 115.64 115.75 1vs6 s THR 154 Ca 0.00 -1.40 -0.41 0.00 0.31 0.00 0.00 61.69 60.19 1vs6 s THR 154 Cb 0.00 -0.76 -0.18 0.00 0.01 0.00 0.00 72.50 71.57 1vs6 s THR 154 CO 0.00 -0.70 1.40 -0.38 -0.69 0.00 0.00 174.62 174.25 1vs6 n ILE 155 N 3.80 0.06 -3.89 1.82 5.41 -0.93 -4.48 119.36 121.16 1vs6 n ILE 155 Ca 0.16 -0.01 -0.36 0.00 1.00 0.00 0.00 62.75 63.54 1vs6 n ILE 155 Cb 0.46 -0.54 -0.11 0.00 -0.71 0.00 0.00 39.64 38.74 1vs6 n ILE 155 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1vs6 s THR 156 N 1.62 4.65 0.26 1.39 2.01 0.28 -3.21 115.64 122.64 1vs6 s THR 156 Ca 0.95 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.89 1vs6 s THR 156 Cb -1.23 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.09 1vs6 s THR 156 CO 0.64 0.39 0.09 0.42 -0.69 0.00 0.00 174.62 175.47 1vs6 s THR 157 N 0.97 0.59 -0.32 -0.82 -4.23 -1.26 -0.71 115.64 109.86 1vs6 s THR 157 Ca 0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1vs6 s THR 157 Cb -0.14 -2.64 0.45 0.00 1.34 0.00 0.00 72.50 71.51 1vs6 s THR 157 CO 0.03 -0.01 1.66 0.35 -0.54 0.00 0.00 174.62 176.11 1vs6 n THR 158 N -0.47 2.57 -1.77 3.99 -2.24 -1.05 -4.66 114.28 110.64 1vs6 n THR 158 Ca -0.00 -1.39 -0.42 0.00 -2.27 0.00 0.00 64.05 59.97 1vs6 n THR 158 Cb 0.66 -0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1vs6 n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vs6 s ALA 159 N -2.29 3.82 0.04 6.98 0.00 -1.26 -4.64 121.76 124.41 1vs6 s ALA 159 Ca 0.40 1.56 -0.33 0.00 0.00 0.00 0.00 51.96 53.59 1vs6 s ALA 159 Cb 0.33 -3.66 -0.18 0.00 0.00 0.00 0.00 23.12 19.60 1vs6 s ALA 159 CO 0.07 -0.94 1.42 0.87 0.00 0.00 0.00 175.76 177.17 1vs6 h LYS 160 N 5.71 -1.06 -4.36 0.00 6.56 -1.92 -3.40 116.57 118.10 1vs6 h LYS 160 Ca -0.45 0.07 -0.19 0.00 -1.06 0.00 0.00 60.65 59.02 1vs6 h LYS 160 Cb 1.21 0.24 -0.14 0.00 -0.57 0.00 0.00 32.23 32.97 1vs6 h LYS 160 CO 0.86 -0.70 -0.56 0.45 -2.06 0.00 0.00 179.45 177.45 1vs6 s SER 161 N -4.27 0.18 0.00 0.86 0.15 -0.79 -4.68 113.70 105.15 1vs6 s SER 161 Ca -0.17 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.26 1vs6 s SER 161 Cb 0.02 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1vs6 s SER 161 CO 0.55 -0.82 0.38 -0.67 1.20 0.00 0.00 173.24 173.87 1vs6 n ASP 162 N -0.20 0.00 0.25 5.45 2.03 -1.19 -0.38 116.55 122.50 1vs6 n ASP 162 Ca -0.03 0.38 0.10 0.00 0.52 0.00 0.00 54.79 55.77 1vs6 n ASP 162 Cb 0.64 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.67 1vs6 n ASP 162 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1vs6 h GLU 163 N 0.00 0.00 -0.20 -0.67 5.08 -1.95 0.18 114.58 117.03 1vs6 h GLU 163 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1vs6 h GLU 163 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1vs6 h GLU 163 CO 0.00 0.17 0.18 1.49 -1.00 0.00 0.00 179.01 179.85 1vs6 h GLU 164 N 0.00 0.00 0.00 2.33 4.22 -1.86 -3.39 114.58 115.88 1vs6 h GLU 164 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1vs6 h GLU 164 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1vs6 h GLU 164 CO 0.02 0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.26 1vs6 n GLY 165 N -1.46 0.94 5.00 1.92 0.00 0.48 -4.60 105.19 107.48 1vs6 n GLY 165 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1vs6 n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vs6 n ARG 166 N 0.00 0.00 -0.35 1.61 1.74 -1.25 -3.83 116.66 114.58 1vs6 n ARG 166 Ca 0.00 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 1vs6 n ARG 166 Cb 0.00 0.00 0.34 0.00 -1.02 0.00 0.00 32.46 31.78 1vs6 n ARG 166 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vs6 h ALA 167 N 0.00 1.71 0.85 7.54 0.00 -1.81 0.97 119.26 128.52 1vs6 h ALA 167 Ca 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1vs6 h ALA 167 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1vs6 h ALA 167 CO 0.00 -0.12 -0.41 1.37 0.00 0.00 0.00 179.25 180.09 1vs6 h LEU 168 N 0.70 -0.97 0.33 0.00 8.10 -1.83 -3.23 115.31 118.41 1vs6 h LEU 168 Ca 0.60 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 58.62 1vs6 h LEU 168 Cb 1.01 0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.48 1vs6 h LEU 168 CO -0.42 -0.67 -0.20 -0.07 -4.11 0.00 0.00 178.44 172.97 1vs6 h LEU 169 N -1.18 -0.51 -7.27 0.17 3.38 -1.68 -3.28 115.31 104.94 1vs6 h LEU 169 Ca -0.12 0.03 -0.47 0.00 0.09 0.00 0.00 57.88 57.42 1vs6 h LEU 169 Cb 0.87 0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.79 1vs6 h LEU 169 CO 0.19 -0.33 1.54 0.00 0.09 0.00 0.00 178.44 179.93 1vs6 n ALA 170 N -2.38 2.23 -1.84 1.53 0.00 0.33 -3.61 120.51 116.76 1vs6 n ALA 170 Ca -0.10 -3.06 0.00 0.00 0.00 0.00 0.00 53.44 50.28 1vs6 n ALA 170 Cb 0.24 -3.56 0.00 0.00 0.00 0.00 0.00 19.45 16.13 1vs6 n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vs6 n ALA 171 N 11.41 1.26 0.00 0.00 0.00 -1.24 -4.70 120.51 127.24 1vs6 n ALA 171 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1vs6 n ALA 171 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1vs6 n ALA 171 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1vs6 n PHE 172 N 0.00 -1.67 -1.51 0.00 1.16 -1.24 -4.95 117.46 109.25 1vs6 n PHE 172 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 1vs6 n PHE 172 Cb 0.45 0.33 -0.10 0.00 -1.61 0.00 0.00 39.48 38.55 1vs6 n PHE 172 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1vs6 n ASP 173 N -2.23 1.14 0.21 5.98 5.75 -1.25 -4.78 116.55 121.36 1vs6 n ASP 173 Ca 0.00 -0.04 0.14 0.00 -0.01 0.00 0.00 54.79 54.89 1vs6 n ASP 173 Cb 0.00 -1.18 0.47 0.00 -1.03 0.00 0.00 41.12 39.38 1vs6 n ASP 173 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1vs6 h PHE 174 N 14.65 0.00 -3.55 2.11 -1.00 -1.96 -3.41 116.94 123.78 1vs6 h PHE 174 Ca -0.13 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.01 1vs6 h PHE 174 Cb 1.30 0.00 -0.21 0.00 3.61 0.00 0.00 35.95 40.65 1vs6 h PHE 174 CO 1.03 0.00 -0.61 -1.25 -1.61 0.00 0.00 178.31 175.87 1vs6 s PRO 175 N -3.40 3.74 0.00 1.51 0.04 -1.26 -4.81 135.00 130.83 1vs6 s PRO 175 Ca 0.05 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.64 1vs6 s PRO 175 Cb 0.08 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1vs6 s PRO 175 CO 0.55 -0.05 0.00 0.34 0.04 0.00 0.00 177.00 177.88 1vs6 n PHE 176 N 4.51 0.00 -0.74 0.56 -0.00 -1.26 -4.40 117.46 116.13 1vs6 n PHE 176 Ca -0.16 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.36 1vs6 n PHE 176 Cb 0.52 0.04 -0.04 0.00 -0.00 0.00 0.00 39.48 40.00 1vs6 n PHE 176 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 1vs6 n ARG 177 N 0.00 -1.77 0.00 -4.13 0.00 -1.24 -2.86 116.66 106.66 1vs6 n ARG 177 Ca 0.00 1.43 0.00 0.00 -0.00 0.00 0.00 57.85 59.28 1vs6 n ARG 177 Cb 0.14 -1.97 0.00 0.00 0.00 0.00 0.00 32.46 30.63 1vs6 n ARG 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80