#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6q s THR 3 N 0.00 2.01 -0.06 5.09 -4.23 -1.26 -4.29 115.64 112.90 3k6q s THR 3 Ca 0.00 -2.28 0.06 0.00 -1.18 0.00 0.00 61.69 58.29 3k6q s THR 3 Cb 0.00 -2.19 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 3k6q s THR 3 CO 0.00 -0.49 -0.25 -0.63 -0.54 0.00 0.00 174.62 172.71 3k6q s ILE 4 N -2.80 2.07 0.43 2.99 1.01 0.66 -4.94 121.20 120.62 3k6q s ILE 4 Ca 0.26 -1.06 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 3k6q s ILE 4 Cb -0.02 -1.75 -0.08 0.00 0.01 0.00 0.00 42.46 40.62 3k6q s ILE 4 CO 0.11 0.57 1.38 0.21 0.00 0.00 0.00 174.94 177.20 3k6q s ASN 5 N -0.12 6.05 0.29 3.58 3.84 -1.26 -1.18 114.94 126.14 3k6q s ASN 5 Ca -0.05 2.81 0.02 0.00 0.21 0.00 0.00 52.86 55.85 3k6q s ASN 5 Cb -0.14 -2.65 0.56 0.00 -0.55 0.00 0.00 41.25 38.48 3k6q s ASN 5 CO 0.04 -1.05 1.85 0.00 -2.79 0.00 0.00 177.10 175.16 3k6q h ALA 6 N 2.46 1.54 -0.17 1.71 0.00 -1.53 -1.73 119.26 121.54 3k6q h ALA 6 Ca -0.50 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3k6q h ALA 6 Cb 1.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3k6q h ALA 6 CO 0.62 0.23 0.09 1.15 0.00 0.00 0.00 179.25 181.34 3k6q h THR 7 N 0.99 1.12 -0.66 0.00 2.02 -1.90 0.19 112.91 114.67 3k6q h THR 7 Ca 0.47 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 67.35 3k6q h THR 7 Cb 0.44 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3k6q h THR 7 CO -0.23 0.12 0.44 -0.08 0.37 0.00 0.00 175.52 176.13 3k6q h GLU 8 N 0.16 0.67 -0.04 6.66 4.57 -1.82 0.18 114.58 124.95 3k6q h GLU 8 Ca 0.06 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3k6q h GLU 8 Cb 0.11 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3k6q h GLU 8 CO -0.01 0.45 -0.02 0.82 -1.18 0.00 0.00 179.01 179.07 3k6q h ILE 9 N 0.69 1.33 -0.79 2.32 1.08 -0.83 -3.01 117.51 118.30 3k6q h ILE 9 Ca 0.28 -1.03 -0.05 0.00 -0.39 0.00 0.00 64.86 63.67 3k6q h ILE 9 Cb 0.22 1.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 3k6q h ILE 9 CO -0.09 0.28 0.31 -0.09 -0.69 0.00 0.00 178.15 177.88 3k6q h ARG 10 N -0.31 1.18 0.00 2.37 2.43 0.43 -2.13 114.38 118.35 3k6q h ARG 10 Ca 0.01 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3k6q h ARG 10 Cb 0.46 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3k6q h ARG 10 CO 0.01 0.95 0.00 -0.91 -1.51 0.00 0.00 179.97 178.51 3k6q h ASN 11 N 1.15 0.00 -1.00 -3.80 2.35 -0.78 -3.21 115.58 110.28 3k6q h ASN 11 Ca 0.26 0.00 -0.38 0.00 -0.55 0.00 0.00 56.30 55.63 3k6q h ASN 11 Cb 0.22 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.18 3k6q h ASN 11 CO -0.02 0.00 -1.12 0.59 -1.65 0.00 0.00 177.43 175.23 3k6q n ASN 12 N -2.37 1.96 0.03 5.81 3.02 -0.85 -4.98 115.26 117.89 3k6q n ASN 12 Ca 0.01 -2.79 -0.12 0.00 -0.03 0.00 0.00 54.58 51.65 3k6q n ASN 12 Cb 0.21 -0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 38.80 3k6q n ASN 12 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3k6q h PHE 13 N 2.88 0.02 -0.81 3.10 3.57 -1.43 -2.30 116.94 121.97 3k6q h PHE 13 Ca -0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3k6q h PHE 13 Cb 1.16 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 3k6q h PHE 13 CO 0.55 0.05 0.53 0.77 -2.23 0.00 0.00 178.31 177.98 3k6q h SER 14 N -0.02 0.91 -0.70 0.41 0.02 -1.91 -0.05 113.55 112.21 3k6q h SER 14 Ca 0.00 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3k6q h SER 14 Cb 0.04 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.31 3k6q h SER 14 CO -0.00 0.65 0.41 0.22 -1.14 0.00 0.00 176.83 176.96 3k6q h TYR 15 N 1.07 0.76 -0.01 3.45 3.20 -1.85 -1.73 116.97 121.86 3k6q h TYR 15 Ca 0.31 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 62.00 3k6q h TYR 15 Cb -0.08 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 3k6q h TYR 15 CO -0.02 0.39 -0.86 1.88 -1.64 0.00 0.00 178.16 177.91 3k6q h TYR 16 N 0.77 0.37 -0.03 -3.82 0.05 -0.80 -0.89 116.97 112.62 3k6q h TYR 16 Ca 0.30 -0.19 0.03 0.00 0.05 0.00 0.00 58.73 58.92 3k6q h TYR 16 Cb 0.13 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 3k6q h TYR 16 CO -0.06 0.99 -0.17 0.82 -1.05 0.00 0.00 178.16 178.69 3k6q h ILE 17 N 0.15 0.58 -0.43 -2.88 2.04 -0.84 -1.90 117.51 114.22 3k6q h ILE 17 Ca -0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3k6q h ILE 17 Cb 1.48 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3k6q h ILE 17 CO 0.14 0.00 0.28 0.44 0.00 0.00 0.00 178.15 179.00 3k6q h ASP 18 N -0.26 0.47 -0.50 1.72 5.19 -1.11 -0.00 116.42 121.93 3k6q h ASP 18 Ca 0.06 -0.01 0.09 0.00 -0.62 0.00 0.00 57.03 56.56 3k6q h ASP 18 Cb 0.35 -0.11 -0.08 0.00 0.18 0.00 0.00 39.33 39.67 3k6q h ASP 18 CO -0.19 0.34 0.03 0.74 -3.12 0.00 0.00 179.24 177.04 3k6q h THR 19 N 0.56 0.64 -0.43 0.35 2.02 -1.04 0.35 112.91 115.35 3k6q h THR 19 Ca 0.16 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 3k6q h THR 19 Cb -0.04 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3k6q h THR 19 CO -0.05 0.03 -0.22 0.58 0.37 0.00 0.00 175.52 176.23 3k6q h VAL 20 N 0.14 1.27 -0.27 3.16 2.07 -0.63 0.22 116.25 122.21 3k6q h VAL 20 Ca 0.25 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3k6q h VAL 20 Cb 0.37 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3k6q h VAL 20 CO -0.39 0.46 -0.01 0.58 0.02 0.00 0.00 177.57 178.23 3k6q h VAL 21 N 0.74 1.26 0.00 2.57 2.07 -0.66 -3.31 116.25 118.91 3k6q h VAL 21 Ca 0.10 -0.94 -0.29 0.00 0.82 0.00 0.00 66.70 66.39 3k6q h VAL 21 Cb 0.79 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3k6q h VAL 21 CO 0.06 0.30 -1.85 0.54 0.02 0.00 0.00 177.57 176.64 3k6q n ARG 22 N -4.59 0.65 0.03 1.57 1.74 0.12 -4.88 116.66 111.29 3k6q n ARG 22 Ca -0.03 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3k6q n ARG 22 Cb 0.26 -1.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3k6q n ARG 22 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3k6q n ASP 23 N -2.93 0.40 -3.51 0.55 -0.08 0.70 -5.06 116.55 106.62 3k6q n ASP 23 Ca -0.20 0.09 -0.14 0.00 -1.51 0.00 0.00 54.79 53.02 3k6q n ASP 23 Cb 1.04 -0.10 -0.05 0.00 2.34 0.00 0.00 41.12 44.36 3k6q n ASP 23 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 3k6q s LYS 24 N -1.43 0.98 0.71 -0.67 -2.85 -0.78 -5.03 119.74 110.66 3k6q s LYS 24 Ca 0.00 0.05 -0.14 0.00 -1.00 0.00 0.00 55.97 54.88 3k6q s LYS 24 Cb 0.00 0.46 0.03 0.00 -2.06 0.00 0.00 37.83 36.25 3k6q s LYS 24 CO 0.00 -0.34 1.13 -2.14 0.10 0.00 0.00 175.35 174.10 3k6q s PRO 25 N -1.83 2.46 0.10 1.78 0.02 -1.26 -3.87 135.00 132.41 3k6q s PRO 25 Ca -0.05 1.45 0.05 0.00 0.02 0.00 0.00 61.00 62.47 3k6q s PRO 25 Cb -0.00 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 3k6q s PRO 25 CO 0.02 -1.52 -0.13 0.96 -0.33 0.00 0.00 177.00 176.00 3k6q s ILE 26 N -2.36 1.14 -0.14 2.83 -4.36 -0.76 -5.01 121.20 112.54 3k6q s ILE 26 Ca 0.68 -1.57 -0.03 0.00 -0.26 0.00 0.00 60.65 59.46 3k6q s ILE 26 Cb -0.22 -1.34 -0.03 0.00 1.25 0.00 0.00 42.46 42.12 3k6q s ILE 26 CO 0.45 -0.41 -0.05 0.00 0.24 0.00 0.00 174.94 175.18 3k6q s ALA 27 N -1.99 2.98 -0.09 2.27 0.00 -1.26 -1.30 121.76 122.35 3k6q s ALA 27 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3k6q s ALA 27 Cb -0.06 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 3k6q s ALA 27 CO 0.02 0.27 -0.18 0.08 0.00 0.00 0.00 175.76 175.95 3k6q s VAL 28 N 0.20 2.69 -0.22 0.00 1.01 0.95 -0.25 120.40 124.79 3k6q s VAL 28 Ca -0.03 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3k6q s VAL 28 Cb -0.14 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.20 3k6q s VAL 28 CO 0.03 0.55 -0.14 -0.75 0.00 0.00 0.00 175.10 174.80 3k6q s LYS 29 N 0.01 2.84 -0.22 2.72 2.20 -0.32 -0.37 119.74 126.61 3k6q s LYS 29 Ca -0.06 -0.95 -0.04 0.00 -0.36 0.00 0.00 55.97 54.56 3k6q s LYS 29 Cb -0.15 -2.77 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 3k6q s LYS 29 CO 0.05 -0.32 -0.03 0.50 -0.36 0.00 0.00 175.35 175.18 3k6q s ARG 30 N 1.28 3.45 0.75 4.03 3.52 -0.41 -1.21 118.95 130.36 3k6q s ARG 30 Ca 0.01 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.02 3k6q s ARG 30 Cb -0.15 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 3k6q s ARG 30 CO -0.09 -0.14 0.00 -1.71 -0.81 0.00 0.00 175.30 172.55 3k6q n ASN 31 N 4.65 0.00 -0.33 -2.12 5.15 -1.26 -0.97 115.26 120.39 3k6q n ASN 31 Ca -0.18 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 53.88 3k6q n ASN 31 Cb 0.51 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.75 3k6q n ASN 31 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3k6q n ARG 32 N 0.00 1.69 -3.55 1.20 1.74 -1.26 -4.97 116.66 111.50 3k6q n ARG 32 Ca 0.00 -0.72 -0.38 0.00 -0.77 0.00 0.00 57.85 55.98 3k6q n ARG 32 Cb 0.00 -1.28 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 3k6q n ARG 32 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k6q s ASP 33 N -1.98 6.74 -0.10 0.55 1.01 -0.15 -5.07 116.67 117.67 3k6q s ASP 33 Ca 0.13 0.87 0.01 0.00 0.71 0.00 0.00 52.55 54.27 3k6q s ASP 33 Cb 0.13 -2.22 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 3k6q s ASP 33 CO 0.44 0.32 -0.14 -0.69 0.21 0.00 0.00 175.17 175.31 3k6q s VAL 34 N -0.98 3.02 0.22 -1.27 1.01 -1.26 -1.29 120.40 119.85 3k6q s VAL 34 Ca 0.22 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.62 3k6q s VAL 34 Cb -0.16 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3k6q s VAL 34 CO 0.12 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 174.79 3k6q s LEU 35 N -0.06 2.49 -0.08 3.92 1.02 0.50 -4.97 118.68 121.49 3k6q s LEU 35 Ca -0.03 -0.92 0.04 0.00 0.02 0.00 0.00 54.13 53.24 3k6q s LEU 35 Cb -0.14 -1.10 -0.00 0.00 0.02 0.00 0.00 46.19 44.97 3k6q s LEU 35 CO 0.04 0.07 -0.22 -0.76 0.02 0.00 0.00 176.35 175.50 3k6q s LEU 36 N -2.95 2.02 -0.14 1.79 1.43 -1.26 -0.04 118.68 119.54 3k6q s LEU 36 Ca 0.23 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3k6q s LEU 36 Cb -0.07 -1.31 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 3k6q s LEU 36 CO 0.11 0.16 -0.14 -0.36 0.23 0.00 0.00 176.35 176.35 3k6q s PHE 37 N 0.27 2.79 0.03 0.29 0.40 -0.42 -5.01 117.98 116.33 3k6q s PHE 37 Ca -0.15 -0.80 0.04 0.00 -0.60 0.00 0.00 56.93 55.43 3k6q s PHE 37 Cb -0.17 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.48 3k6q s PHE 37 CO 0.07 -0.32 -0.12 -0.06 0.70 0.00 0.00 175.22 175.49 3k6q s PHE 38 N 0.54 1.09 0.62 0.36 0.40 -1.26 -1.83 117.98 117.90 3k6q s PHE 38 Ca -0.09 -0.35 -0.19 0.00 -0.60 0.00 0.00 56.93 55.71 3k6q s PHE 38 Cb -0.16 -0.65 -0.02 0.00 0.51 0.00 0.00 43.02 42.70 3k6q s PHE 38 CO 0.04 0.01 1.31 -1.54 0.70 0.00 0.00 175.22 175.74 3k6q s SER 39 N -1.09 4.76 0.17 1.36 1.04 -1.25 -4.92 113.70 113.77 3k6q s SER 39 Ca 0.00 2.65 -0.15 0.00 0.48 0.00 0.00 55.95 58.93 3k6q s SER 39 Cb -0.08 -2.62 0.13 0.00 0.10 0.00 0.00 66.02 63.55 3k6q s SER 39 CO 0.01 -1.91 1.68 -0.08 0.98 0.00 0.00 173.24 173.93 3k6q h GLU 40 N 0.75 0.08 -0.59 4.02 4.81 -1.97 -2.92 114.58 118.76 3k6q h GLU 40 Ca -0.51 -0.00 0.12 0.00 -0.13 0.00 0.00 59.36 58.83 3k6q h GLU 40 Cb 1.33 -0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.58 3k6q h GLU 40 CO 0.54 0.05 -0.14 0.37 -0.73 0.00 0.00 179.01 179.10 3k6q h GLN 41 N 0.08 0.01 -0.94 1.92 -0.00 -1.98 -0.51 115.11 113.68 3k6q h GLN 41 Ca 0.21 -0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.87 3k6q h GLN 41 Cb 0.31 -0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.75 3k6q h GLN 41 CO -0.38 0.00 0.62 0.82 0.00 0.00 0.00 178.83 179.90 3k6q h ILE 42 N 0.01 1.24 -0.09 2.39 1.08 -1.89 -0.65 117.51 119.59 3k6q h ILE 42 Ca 0.28 -0.44 -0.17 0.00 -0.39 0.00 0.00 64.86 64.15 3k6q h ILE 42 Cb 0.43 -0.15 0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3k6q h ILE 42 CO -0.60 0.23 -0.60 0.40 -0.69 0.00 0.00 178.15 176.90 3k6q h ILE 43 N 1.28 1.35 -0.61 -0.67 1.08 -1.36 0.50 117.51 119.08 3k6q h ILE 43 Ca 0.35 -1.91 0.08 0.00 -0.39 0.00 0.00 64.86 62.99 3k6q h ILE 43 Cb -0.15 2.23 -0.07 0.00 -3.07 0.00 0.00 36.82 35.77 3k6q h ILE 43 CO -0.07 0.58 0.27 0.11 -0.69 0.00 0.00 178.15 178.34 3k6q h LYS 44 N 0.17 0.46 -0.31 2.37 1.57 -0.93 -2.13 116.57 117.78 3k6q h LYS 44 Ca -0.05 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 3k6q h LYS 44 Cb 1.25 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3k6q h LYS 44 CO 0.12 0.31 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.53 3k6q h ASP 45 N 0.48 0.73 -0.67 0.86 3.32 -1.05 -2.35 116.42 117.73 3k6q h ASP 45 Ca 0.30 -0.30 0.09 0.00 0.02 0.00 0.00 57.03 57.14 3k6q h ASP 45 Cb 0.32 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3k6q h ASP 45 CO -0.26 1.00 0.44 0.25 -1.72 0.00 0.00 179.24 178.95 3k6q h LEU 46 N 0.58 0.48 -1.32 1.55 6.46 -0.35 -2.31 115.31 120.41 3k6q h LEU 46 Ca 0.06 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3k6q h LEU 46 Cb 0.86 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 3k6q h LEU 46 CO 0.07 0.29 0.00 0.18 -0.62 0.00 0.00 178.44 178.36 3k6q n LEU 47 N -4.48 1.97 0.18 2.25 4.77 -0.85 -4.56 117.00 116.28 3k6q n LEU 47 Ca 0.11 -0.86 0.04 0.00 -0.03 0.00 0.00 56.01 55.28 3k6q n LEU 47 Cb 0.35 -0.15 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 3k6q n LEU 47 CO 0.33 0.43 0.91 0.06 -1.33 0.00 0.00 177.39 177.79 3k6q h GLN 48 N 2.52 0.10 -0.18 3.23 3.07 -1.18 -1.75 115.11 120.92 3k6q h GLN 48 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.72 3k6q h GLN 48 Cb 0.56 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.10 3k6q h GLN 48 CO 0.00 0.25 0.00 -0.25 0.09 0.00 0.00 178.83 178.92 3k6q n ASP 49 N -4.32 2.13 -4.70 0.06 8.00 -1.26 -4.86 116.55 111.60 3k6q n ASP 49 Ca -0.02 -1.76 -0.42 0.00 0.71 0.00 0.00 54.79 53.30 3k6q n ASP 49 Cb 0.24 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3k6q n ASP 49 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3k6q s LEU 50 N -1.65 4.33 0.08 0.64 2.96 -0.66 -5.03 118.68 119.36 3k6q s LEU 50 Ca 0.34 1.85 0.09 0.00 -0.22 0.00 0.00 54.13 56.19 3k6q s LEU 50 Cb 0.19 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.28 3k6q s LEU 50 CO 0.29 -0.46 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.08 3k6q s LYS 51 N 1.47 1.41 -0.17 1.98 3.01 -1.26 -4.98 119.74 121.19 3k6q s LYS 51 Ca 0.56 -1.15 -0.03 0.00 -1.01 0.00 0.00 55.97 54.34 3k6q s LYS 51 Cb -0.25 -1.68 -0.02 0.00 -1.01 0.00 0.00 37.83 34.87 3k6q s LYS 51 CO 0.26 0.41 -0.07 0.42 0.51 0.00 0.00 175.35 176.89 3k6q s ILE 52 N -0.97 3.44 -0.25 2.17 1.01 0.32 -5.04 121.20 121.89 3k6q s ILE 52 Ca 0.10 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 3k6q s ILE 52 Cb -0.10 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3k6q s ILE 52 CO 0.04 0.47 0.11 -1.00 0.00 0.00 0.00 174.94 174.56 3k6q s HIS 53 N 0.81 3.15 -0.18 3.97 3.76 -1.26 -0.28 115.29 125.26 3k6q s HIS 53 Ca -0.02 -0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 54.66 3k6q s HIS 53 Cb -0.15 -2.26 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 3k6q s HIS 53 CO 0.01 -0.21 0.02 0.00 -0.85 0.00 0.00 174.74 173.71 3k6q s ALA 54 N 1.46 3.18 -0.22 -1.40 0.00 0.25 -4.24 121.76 120.79 3k6q s ALA 54 Ca 0.06 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 3k6q s ALA 54 Cb -0.15 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 3k6q s ALA 54 CO 0.05 0.12 0.29 -1.21 0.00 0.00 0.00 175.76 175.01 3k6q s GLU 55 N 0.51 4.12 -0.11 0.00 2.02 -0.02 -0.64 118.70 124.57 3k6q s GLU 55 Ca 0.00 -0.02 0.02 0.00 0.02 0.00 0.00 54.97 54.99 3k6q s GLU 55 Cb -0.14 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 30.54 3k6q s GLU 55 CO 0.02 0.01 -0.16 -0.51 0.02 0.00 0.00 175.26 174.63 3k6q s LEU 56 N 1.20 2.55 -0.11 1.80 1.02 0.20 -1.43 118.68 123.90 3k6q s LEU 56 Ca 0.14 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.94 3k6q s LEU 56 Cb -0.14 -1.55 -0.01 0.00 0.02 0.00 0.00 46.19 44.52 3k6q s LEU 56 CO 0.06 0.19 -0.20 -0.55 0.02 0.00 0.00 176.35 175.87 3k6q s SER 57 N 0.20 3.43 -0.13 2.29 0.15 -0.04 -0.29 113.70 119.31 3k6q s SER 57 Ca -0.10 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.07 3k6q s SER 57 Cb -0.16 -1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 3k6q s SER 57 CO 0.06 0.16 -0.09 -0.75 1.20 0.00 0.00 173.24 173.82 3k6q s LYS 58 N 0.35 3.40 -0.21 5.44 2.20 -1.26 -1.10 119.74 128.56 3k6q s LYS 58 Ca -0.16 -0.61 -0.09 0.00 -0.36 0.00 0.00 55.97 54.75 3k6q s LYS 58 Cb -0.17 -2.72 0.08 0.00 -1.51 0.00 0.00 37.83 33.51 3k6q s LYS 58 CO 0.08 0.28 0.48 -2.00 -0.36 0.00 0.00 175.35 173.83 3k6q s GLU 59 N 0.21 0.43 -1.48 4.03 2.12 -0.42 -4.93 118.70 118.65 3k6q s GLU 59 Ca -0.06 1.03 -0.11 0.00 0.36 0.00 0.00 54.97 56.19 3k6q s GLU 59 Cb -0.15 0.26 0.07 0.00 0.26 0.00 0.00 34.13 34.57 3k6q s GLU 59 CO 0.04 -0.20 0.97 -0.25 -0.54 0.00 0.00 175.26 175.28 3k6q n ASP 60 N 4.89 -4.43 0.00 -1.70 8.00 -1.26 -2.09 116.55 119.96 3k6q n ASP 60 Ca -0.15 -0.76 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3k6q n ASP 60 Cb 0.52 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 3k6q n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k6q n GLY 61 N -1.71 0.85 3.50 0.44 0.00 -1.26 -5.00 105.19 102.01 3k6q n GLY 61 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3k6q n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k6q s ILE 62 N -3.55 3.58 -0.18 -0.61 -1.09 -0.89 -4.63 121.20 113.83 3k6q s ILE 62 Ca 0.00 -0.49 -0.05 0.00 -2.23 0.00 0.00 60.65 57.88 3k6q s ILE 62 Cb 0.00 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.35 3k6q s ILE 62 CO 0.00 0.55 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.61 3k6q s ILE 63 N -0.14 3.94 -0.16 2.92 1.01 0.52 -1.30 121.20 127.98 3k6q s ILE 63 Ca 0.01 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3k6q s ILE 63 Cb -0.13 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 3k6q s ILE 63 CO 0.03 0.45 0.08 -0.63 0.00 0.00 0.00 174.94 174.87 3k6q s ILE 64 N 0.75 4.98 -0.05 2.92 -1.09 -0.25 -1.15 121.20 127.30 3k6q s ILE 64 Ca -0.00 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.48 3k6q s ILE 64 Cb -0.14 -3.22 -0.00 0.00 -1.58 0.00 0.00 42.46 37.52 3k6q s ILE 64 CO 0.02 0.50 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.22 3k6q s GLY 65 N -0.04 0.99 0.16 6.18 0.00 -0.02 -0.86 107.32 113.73 3k6q s GLY 65 Ca 0.07 -0.72 0.06 0.00 0.00 0.00 0.00 44.72 44.13 3k6q s GLY 65 CO 0.01 -0.32 -0.13 -0.51 0.00 0.00 0.00 173.10 172.14 3k6q s THR 66 N 0.13 1.42 -0.16 0.90 -4.23 -0.52 -1.62 115.64 111.56 3k6q s THR 66 Ca -0.07 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 3k6q s THR 66 Cb -0.13 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.91 3k6q s THR 66 CO 0.03 -0.59 -0.21 -0.63 -0.54 0.00 0.00 174.62 172.68 3k6q s ILE 67 N -2.83 2.06 -0.10 2.99 1.01 -1.21 -0.84 121.20 122.28 3k6q s ILE 67 Ca 0.16 -0.96 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 3k6q s ILE 67 Cb -0.01 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3k6q s ILE 67 CO 0.03 0.55 1.33 -0.62 0.00 0.00 0.00 174.94 176.23 3k6q s ASP 68 N 1.01 6.91 0.00 3.58 2.15 -1.26 -2.30 116.67 126.76 3k6q s ASP 68 Ca -0.02 1.87 0.00 0.00 0.43 0.00 0.00 52.55 54.83 3k6q s ASP 68 Cb -0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 3k6q s ASP 68 CO -0.07 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 174.80 3k6q n GLY 69 N 3.65 2.45 0.22 2.66 0.00 -1.26 -4.96 105.19 107.95 3k6q n GLY 69 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 3k6q n GLY 69 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k6q n PHE 70 N -0.60 0.00 -1.22 1.61 3.72 -0.97 -5.00 117.46 114.99 3k6q n PHE 70 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3k6q n PHE 70 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 3k6q n PHE 70 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3k6q n ASP 71 N -0.34 -5.35 -4.82 4.37 2.03 -1.24 -4.97 116.55 106.22 3k6q n ASP 71 Ca 0.04 0.19 -0.37 0.00 0.52 0.00 0.00 54.79 55.17 3k6q n ASP 71 Cb 0.22 -3.53 -0.06 0.00 -0.72 0.00 0.00 41.12 37.03 3k6q n ASP 71 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k6q s LEU 72 N -1.75 4.44 -0.16 -2.67 1.43 -1.26 -5.03 118.68 113.67 3k6q s LEU 72 Ca 0.00 1.22 -0.12 0.00 -1.03 0.00 0.00 54.13 54.21 3k6q s LEU 72 Cb 0.00 -3.12 0.05 0.00 0.03 0.00 0.00 46.19 43.14 3k6q s LEU 72 CO 0.00 0.18 0.40 0.54 0.23 0.00 0.00 176.35 177.70 3k6q s VAL 73 N -1.29 -0.01 0.17 -1.59 0.11 -1.26 -3.32 120.40 113.21 3k6q s VAL 73 Ca 0.34 0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 3k6q s VAL 73 Cb -0.18 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 3k6q s VAL 73 CO 0.19 0.02 0.14 0.68 -3.33 0.00 0.00 175.10 172.80 3k6q s VAL 74 N 0.76 0.05 0.01 2.04 -7.23 -0.64 -5.00 120.40 110.39 3k6q s VAL 74 Ca -0.04 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 3k6q s VAL 74 Cb -0.05 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 3k6q s VAL 74 CO -0.06 -0.21 -0.05 -0.55 -0.31 0.00 0.00 175.10 173.92 3k6q s SER 75 N -3.09 0.61 0.17 4.85 0.15 -1.26 -0.84 113.70 114.30 3k6q s SER 75 Ca 0.30 -0.24 -0.11 0.00 0.70 0.00 0.00 55.95 56.59 3k6q s SER 75 Cb 0.06 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 3k6q s SER 75 CO 0.07 -0.04 0.56 0.61 1.20 0.00 0.00 173.24 175.63 3k6q n GLY 76 N 2.44 1.12 0.12 9.45 0.00 -0.30 -4.81 105.19 113.21 3k6q n GLY 76 Ca -0.16 -1.11 0.10 0.00 0.00 0.00 0.00 46.02 44.85 3k6q n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k6q n GLU 77 N -0.39 0.29 -3.99 1.61 1.02 -1.26 -0.35 120.64 117.57 3k6q n GLU 77 Ca -0.03 -0.23 -0.09 0.00 -0.02 0.00 0.00 57.16 56.78 3k6q n GLU 77 Cb 0.36 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 3k6q n GLU 77 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3k6q s SER 78 N -2.87 0.15 0.29 1.62 1.04 -1.26 -4.85 113.70 107.82 3k6q s SER 78 Ca 0.11 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3k6q s SER 78 Cb 0.17 0.36 0.51 0.00 0.10 0.00 0.00 66.02 67.16 3k6q s SER 78 CO 0.78 -0.80 1.90 -0.08 0.98 0.00 0.00 173.24 176.03 3k6q h GLU 79 N 2.71 1.02 -0.37 4.02 4.81 -1.99 -2.44 114.58 122.34 3k6q h GLU 79 Ca -0.33 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 3k6q h GLU 79 Cb 1.21 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 3k6q h GLU 79 CO 0.54 0.68 0.02 1.96 -0.73 0.00 0.00 179.01 181.47 3k6q h GLN 80 N 1.05 0.64 -0.63 1.92 7.50 -1.99 -1.37 115.11 122.23 3k6q h GLN 80 Ca 0.41 -0.19 -0.00 0.00 0.50 0.00 0.00 58.65 59.36 3k6q h GLN 80 Cb 0.22 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.66 3k6q h GLN 80 CO -0.16 0.73 0.38 1.49 -1.50 0.00 0.00 178.83 179.77 3k6q h GLU 81 N 0.46 0.85 -0.19 1.46 4.81 -1.89 -0.60 114.58 119.48 3k6q h GLU 81 Ca 0.11 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3k6q h GLU 81 Cb 0.43 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3k6q h GLU 81 CO 0.02 0.61 0.09 0.28 -0.73 0.00 0.00 179.01 179.27 3k6q h VAL 82 N 0.85 1.14 -0.58 0.32 2.07 -1.32 -1.33 116.25 117.41 3k6q h VAL 82 Ca 0.23 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 3k6q h VAL 82 Cb -0.03 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3k6q h VAL 82 CO -0.04 0.14 0.27 0.40 0.02 0.00 0.00 177.57 178.36 3k6q h ILE 83 N 0.17 1.21 -0.36 4.57 2.04 -1.11 0.22 117.51 124.26 3k6q h ILE 83 Ca 0.07 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3k6q h ILE 83 Cb 0.14 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 3k6q h ILE 83 CO -0.01 0.24 0.04 -0.61 0.00 0.00 0.00 178.15 177.81 3k6q h GLN 84 N 0.79 0.14 -0.33 2.37 5.75 -0.94 0.11 115.11 123.00 3k6q h GLN 84 Ca 0.20 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.57 3k6q h GLN 84 Cb 0.13 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3k6q h GLN 84 CO -0.02 0.09 -0.29 0.87 -2.65 0.00 0.00 178.83 176.83 3k6q h LYS 85 N 0.15 0.68 -0.62 1.69 1.57 -0.84 -1.85 116.57 117.34 3k6q h LYS 85 Ca 0.17 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3k6q h LYS 85 Cb 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3k6q h LYS 85 CO -0.26 0.89 0.18 -0.07 -0.57 0.00 0.00 179.45 179.62 3k6q h LEU 86 N 0.58 0.93 -0.62 2.94 3.38 -0.57 0.17 115.31 122.11 3k6q h LEU 86 Ca 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3k6q h LEU 86 Cb 0.79 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3k6q h LEU 86 CO 0.06 0.90 0.41 0.00 0.09 0.00 0.00 178.44 179.90 3k6q h ALA 87 N 1.06 0.79 -0.12 1.53 0.00 -0.59 0.10 119.26 122.04 3k6q h ALA 87 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k6q h ALA 87 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k6q h ALA 87 CO -0.00 0.23 0.05 0.93 0.00 0.00 0.00 179.25 180.46 3k6q h GLU 88 N 0.85 0.18 -0.09 0.00 5.08 -0.99 -1.12 114.58 118.49 3k6q h GLU 88 Ca 0.23 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3k6q h GLU 88 Cb -0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3k6q h GLU 88 CO -0.05 0.28 -0.12 -0.44 -1.00 0.00 0.00 179.01 177.68 3k6q h ASP 89 N 0.04 0.12 -0.33 1.42 5.19 -0.75 -1.68 116.42 120.43 3k6q h ASP 89 Ca 0.04 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.30 3k6q h ASP 89 Cb 0.17 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 3k6q h ASP 89 CO -0.00 0.26 -0.29 -0.07 -3.12 0.00 0.00 179.24 176.02 3k6q h LEU 90 N 0.13 0.83 -0.27 1.55 3.38 -0.64 -0.44 115.31 119.85 3k6q h LEU 90 Ca 0.03 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3k6q h LEU 90 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3k6q h LEU 90 CO 0.02 1.11 0.13 0.25 0.09 0.00 0.00 178.44 180.04 3k6q h LEU 91 N 0.55 0.36 -0.59 1.67 5.85 -0.90 0.19 115.31 122.43 3k6q h LEU 91 Ca 0.06 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3k6q h LEU 91 Cb 0.86 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3k6q h LEU 91 CO 0.07 0.39 0.36 -0.08 -0.34 0.00 0.00 178.44 178.84 3k6q h GLU 92 N 0.31 0.69 -0.70 1.25 4.81 -1.28 -0.83 114.58 118.81 3k6q h GLU 92 Ca 0.09 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3k6q h GLU 92 Cb 0.13 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 3k6q h GLU 92 CO -0.01 0.45 0.44 -0.92 -0.73 0.00 0.00 179.01 178.25 3k6q h TYR 93 N 0.71 0.83 -0.63 0.92 3.20 -0.79 -0.27 116.97 120.93 3k6q h TYR 93 Ca 0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3k6q h TYR 93 Cb 0.03 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 3k6q h TYR 93 CO -0.06 0.49 0.41 0.00 -1.64 0.00 0.00 178.16 177.36 3k6q h ALA 94 N 1.29 0.80 -0.44 1.82 0.00 -0.54 0.15 119.26 122.35 3k6q h ALA 94 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3k6q h ALA 94 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3k6q h ALA 94 CO -0.10 0.24 0.21 1.96 0.00 0.00 0.00 179.25 181.56 3k6q h GLN 95 N 0.86 0.63 -0.38 0.00 4.20 -0.80 -3.01 115.11 116.60 3k6q h GLN 95 Ca 0.23 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3k6q h GLN 95 Cb -0.08 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3k6q h GLN 95 CO -0.05 0.54 0.16 -0.44 -0.67 0.00 0.00 178.83 178.37 3k6q h ASP 96 N 0.56 0.53 0.00 1.46 3.32 -0.65 -1.10 116.42 120.54 3k6q h ASP 96 Ca 0.15 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3k6q h ASP 96 Cb 0.12 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3k6q h ASP 96 CO -0.02 0.55 0.00 0.00 -1.72 0.00 0.00 179.24 178.05 3k6q n TYR 97 N -4.66 0.00 0.00 4.55 4.19 0.49 -2.09 117.16 119.64 3k6q n TYR 97 Ca -0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3k6q n TYR 97 Cb 0.14 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 39.96 3k6q n TYR 97 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 3k6q n ASN 99 N 0.46 0.00 -3.13 2.98 3.02 -0.42 -1.64 115.26 116.53 3k6q n ASN 99 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 3k6q n ASN 99 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 3k6q n ASN 99 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3k6q n ASP 100 N 0.00 1.77 -0.28 6.41 -0.08 -0.89 -4.97 116.55 118.52 3k6q n ASP 100 Ca 0.00 -3.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.11 3k6q n ASP 100 Cb 0.00 -0.61 0.13 0.00 2.34 0.00 0.00 41.12 42.98 3k6q n ASP 100 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3k6q h PHE 101 N 3.08 0.86 -0.13 -0.67 3.57 -1.58 -1.14 116.94 120.93 3k6q h PHE 101 Ca 0.11 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3k6q h PHE 101 Cb 0.84 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.25 3k6q h PHE 101 CO 0.56 0.41 -0.25 -0.22 -2.23 0.00 0.00 178.31 176.57 3k6q h LYS 102 N 0.84 -0.31 0.27 1.11 3.64 -1.93 -0.06 116.57 120.13 3k6q h LYS 102 Ca 0.35 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 3k6q h LYS 102 Cb 0.21 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3k6q h LYS 102 CO -0.19 -0.21 -0.19 1.25 -2.27 0.00 0.00 179.45 177.84 3k6q h LEU 103 N -0.32 -0.49 -0.28 5.20 5.85 -1.70 -3.22 115.31 120.35 3k6q h LEU 103 Ca 0.10 0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.65 3k6q h LEU 103 Cb 0.47 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3k6q h LEU 103 CO -0.31 -0.30 -0.73 -0.26 -0.34 0.00 0.00 178.44 176.49 3k6q h PHE 104 N -0.46 0.86 -0.34 1.25 -1.00 -0.99 -2.85 116.94 113.40 3k6q h PHE 104 Ca -0.02 -0.37 -0.11 0.00 2.81 0.00 0.00 57.97 60.28 3k6q h PHE 104 Cb 0.40 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3k6q h PHE 104 CO -0.11 1.17 -0.22 -0.92 -1.61 0.00 0.00 178.31 176.62 3k6q h TYR 105 N 0.44 0.75 -0.15 -0.55 3.20 -1.09 -2.87 116.97 116.71 3k6q h TYR 105 Ca -0.04 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.67 3k6q h TYR 105 Cb 1.34 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.42 3k6q h TYR 105 CO 0.07 0.83 0.00 0.09 -1.64 0.00 0.00 178.16 177.51 3k6q n ASN 106 N -4.12 2.52 -4.79 -2.11 3.02 -1.22 -3.34 115.26 105.22 3k6q n ASN 106 Ca 0.00 -1.83 -0.34 0.00 -0.03 0.00 0.00 54.58 52.38 3k6q n ASN 106 Cb 0.41 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 3k6q n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k6q s ALA 107 N -1.83 2.78 0.00 5.41 0.00 -1.08 -4.94 121.76 122.11 3k6q s ALA 107 Ca 0.34 0.56 -0.37 0.00 0.00 0.00 0.00 51.96 52.49 3k6q s ALA 107 Cb 0.20 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 3k6q s ALA 107 CO 0.30 -0.59 1.53 -2.30 0.00 0.00 0.00 175.76 174.70 3k6q n PRO 108 N -1.44 1.44 -0.94 0.00 -0.02 -1.26 -1.88 135.00 130.90 3k6q n PRO 108 Ca 0.09 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3k6q n PRO 108 Cb 0.52 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3k6q n PRO 108 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k6q n ASN 109 N 3.74 -3.10 -0.00 2.55 3.02 -1.26 -4.85 115.26 115.36 3k6q n ASN 109 Ca 0.20 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.83 3k6q n ASN 109 Cb 0.21 -1.61 -0.10 0.00 -0.61 0.00 0.00 39.78 37.66 3k6q n ASN 109 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3k6q n ARG 110 N -1.46 1.41 -0.29 3.52 1.74 -0.79 -4.41 116.66 116.39 3k6q n ARG 110 Ca 0.00 -0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 3k6q n ARG 110 Cb 0.16 -1.29 0.09 0.00 -1.02 0.00 0.00 32.46 30.40 3k6q n ARG 110 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3k6q h LYS 111 N 0.00 0.98 0.00 5.56 3.64 -1.70 -1.70 116.57 123.34 3k6q h LYS 111 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3k6q h LYS 111 Cb 0.48 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3k6q h LYS 111 CO 0.00 0.65 0.00 1.79 -2.27 0.00 0.00 179.45 179.62 3k6q h THR 112 N 1.01 0.00 0.00 1.00 1.35 -1.90 -2.25 112.91 112.12 3k6q h THR 112 Ca 0.32 -0.14 -0.08 0.00 -0.55 0.00 0.00 66.41 65.96 3k6q h THR 112 Cb -0.01 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.22 3k6q h THR 112 CO -0.11 0.00 -0.40 0.45 -0.25 0.00 0.00 175.52 175.21 3k6q h HIS 113 N 0.00 0.00 -0.68 4.73 3.86 -1.53 -3.38 115.15 118.15 3k6q h HIS 113 Ca 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.27 3k6q h HIS 113 Cb 0.18 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 3k6q h HIS 113 CO 0.00 0.40 0.37 -0.92 0.86 0.00 0.00 177.93 178.64 3k6q h TYR 114 N 0.00 0.67 -0.57 2.45 3.20 -1.46 -1.67 116.97 119.60 3k6q h TYR 114 Ca -0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.92 3k6q h TYR 114 Cb 0.87 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 3k6q h TYR 114 CO 0.00 0.31 0.38 -1.35 -1.64 0.00 0.00 178.16 175.85 3k6q h PRO 115 N 0.67 0.64 -0.16 1.82 0.11 -1.80 0.31 132.00 133.59 3k6q h PRO 115 Ca 0.31 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.36 3k6q h PRO 115 Cb 0.22 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3k6q h PRO 115 CO -0.20 0.42 0.02 1.88 -0.21 0.00 0.00 178.00 179.91 3k6q h TYR 116 N 0.65 0.28 -0.41 0.65 0.05 -1.66 -1.66 116.97 114.87 3k6q h TYR 116 Ca 0.23 -0.04 0.07 0.00 0.05 0.00 0.00 58.73 59.04 3k6q h TYR 116 Cb 0.09 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.70 3k6q h TYR 116 CO -0.00 0.44 0.05 0.82 -1.05 0.00 0.00 178.16 178.42 3k6q h ILE 117 N 0.04 0.74 -0.25 -2.88 1.08 -0.26 0.25 117.51 116.23 3k6q h ILE 117 Ca 0.05 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.45 3k6q h ILE 117 Cb 0.32 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 3k6q h ILE 117 CO 0.00 0.03 0.15 0.25 -0.69 0.00 0.00 178.15 177.89 3k6q h LEU 118 N 0.17 0.31 -0.43 1.44 5.85 -0.46 -1.47 115.31 120.71 3k6q h LEU 118 Ca 0.20 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3k6q h LEU 118 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3k6q h LEU 118 CO -0.29 0.29 0.19 0.50 -0.34 0.00 0.00 178.44 178.79 3k6q h LYS 119 N 0.31 0.63 -0.76 1.25 3.64 -0.70 -0.72 116.57 120.21 3k6q h LYS 119 Ca 0.09 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.44 3k6q h LYS 119 Cb 0.04 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 3k6q h LYS 119 CO -0.02 0.56 0.43 0.28 -2.27 0.00 0.00 179.45 178.43 3k6q h VAL 120 N 0.56 0.94 -0.12 2.00 2.07 -0.75 -1.52 116.25 119.42 3k6q h VAL 120 Ca 0.15 -0.26 -0.16 0.00 0.82 0.00 0.00 66.70 67.25 3k6q h VAL 120 Cb 0.15 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3k6q h VAL 120 CO -0.02 0.14 -0.61 -0.07 0.02 0.00 0.00 177.57 177.03 3k6q h LEU 121 N 0.75 0.47 -0.89 2.57 3.38 -0.74 -2.72 115.31 118.13 3k6q h LEU 121 Ca 0.35 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k6q h LEU 121 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3k6q h LEU 121 CO -0.22 0.96 0.00 -0.07 0.09 0.00 0.00 178.44 179.20 3k6q h LEU 122 N 0.31 0.00 -9.84 1.67 3.38 -0.56 -3.44 115.31 106.83 3k6q h LEU 122 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 3k6q h LEU 122 Cb 1.14 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.99 3k6q h LEU 122 CO 0.10 0.00 0.80 -1.20 0.09 0.00 0.00 178.44 178.24 3k6q n SER 123 N -2.93 3.71 0.16 -0.43 7.64 -0.63 -4.91 113.62 116.24 3k6q n SER 123 Ca 0.02 1.18 0.13 0.00 1.01 0.00 0.00 58.87 61.21 3k6q n SER 123 Cb 0.36 -1.59 0.43 0.00 -1.01 0.00 0.00 64.21 62.40 3k6q n SER 123 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3k6q h SER 124 N 3.92 0.00 -5.44 6.43 0.02 -1.88 -3.47 113.55 113.13 3k6q h SER 124 Ca -0.48 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 60.70 3k6q h SER 124 Cb 1.24 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 3k6q h SER 124 CO 0.72 0.00 0.62 0.54 -1.14 0.00 0.00 176.83 177.58 3k6q s ASN 125 N -4.93 -0.14 0.34 3.07 2.20 -1.26 -5.04 114.94 109.18 3k6q s ASN 125 Ca 0.07 -0.28 0.04 0.00 -0.94 0.00 0.00 52.86 51.75 3k6q s ASN 125 Cb 0.10 0.35 0.61 0.00 -2.00 0.00 0.00 41.25 40.31 3k6q s ASN 125 CO 0.54 -0.65 1.88 0.40 -2.94 0.00 0.00 177.10 176.33 3k6q h ILE 126 N 2.00 1.19 -0.93 0.54 1.08 -1.98 -2.19 117.51 117.22 3k6q h ILE 126 Ca -0.26 -0.77 0.05 0.00 -0.39 0.00 0.00 64.86 63.49 3k6q h ILE 126 Cb 1.22 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.84 3k6q h ILE 126 CO 0.27 0.26 0.61 0.44 -0.69 0.00 0.00 178.15 179.04 3k6q h ASP 127 N 0.51 0.98 -0.55 1.72 3.32 -1.99 0.40 116.42 120.80 3k6q h ASP 127 Ca 0.11 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3k6q h ASP 127 Cb 0.32 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3k6q h ASP 127 CO 0.01 0.65 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.81 3k6q h GLU 128 N 1.13 1.00 -0.18 3.56 5.08 -1.82 -2.69 114.58 120.65 3k6q h GLU 128 Ca 0.38 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3k6q h GLU 128 Cb 0.09 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3k6q h GLU 128 CO -0.13 1.02 0.12 0.28 -1.00 0.00 0.00 179.01 179.30 3k6q h VAL 129 N 0.87 1.05 -0.81 3.13 2.07 -0.88 -2.41 116.25 119.27 3k6q h VAL 129 Ca 0.15 -0.08 0.19 0.00 0.82 0.00 0.00 66.70 67.77 3k6q h VAL 129 Cb 0.60 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3k6q h VAL 129 CO 0.04 0.05 0.55 0.11 0.02 0.00 0.00 177.57 178.33 3k6q h LYS 130 N 0.25 0.30 0.00 1.57 1.57 -0.83 -2.76 116.57 116.67 3k6q h LYS 130 Ca 0.07 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3k6q h LYS 130 Cb -0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3k6q h LYS 130 CO -0.02 0.20 -0.01 0.78 -0.57 0.00 0.00 179.45 179.83 3k6q h GLY 131 N 0.31 0.00 -0.50 3.86 0.00 -1.09 -2.63 103.07 103.02 3k6q h GLY 131 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 3k6q h GLY 131 CO -0.12 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.00 3k6q n TYR 132 N -3.44 0.28 -3.51 5.60 0.18 -1.04 -4.91 117.16 110.32 3k6q n TYR 132 Ca -0.03 -0.91 -0.38 0.00 1.88 0.00 0.00 57.90 58.47 3k6q n TYR 132 Cb 0.10 -0.18 -0.09 0.00 -0.38 0.00 0.00 39.34 38.79 3k6q n TYR 132 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 3k6q s ILE 133 N -2.65 5.27 -0.16 -3.48 1.01 -0.99 -0.52 121.20 119.67 3k6q s ILE 133 Ca 0.32 0.46 0.02 0.00 0.00 0.00 0.00 60.65 61.44 3k6q s ILE 133 Cb 0.27 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 39.13 3k6q s ILE 133 CO 0.05 0.28 -0.21 -0.31 0.00 0.00 0.00 174.94 174.76 3k6q s TYR 134 N 1.29 2.71 -0.12 3.97 2.02 0.61 -4.98 117.35 122.85 3k6q s TYR 134 Ca 0.13 -1.51 -0.21 0.00 -0.37 0.00 0.00 57.07 55.11 3k6q s TYR 134 Cb -0.14 -1.86 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3k6q s TYR 134 CO 0.07 -0.73 0.63 0.00 -1.57 0.00 0.00 175.55 173.95 3k6q s ALA 135 N 1.11 3.44 0.00 3.71 0.00 -1.26 -0.58 121.76 128.18 3k6q s ALA 135 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3k6q s ALA 135 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3k6q s ALA 135 CO -0.09 -0.25 0.00 -0.85 0.00 0.00 0.00 175.76 174.58 3k6q n GLU 136 N 4.22 3.97 0.00 0.00 0.00 0.18 -4.95 120.64 124.07 3k6q n GLU 136 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.14 3k6q n GLU 136 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.95 3k6q n GLU 136 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46