#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 2.96 -0.08 1.69 -4.23 -1.26 -4.11 115.64 110.61 3k6q s THR 3 Ca 0.00 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 3k6q s THR 3 Cb 0.00 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 3k6q s THR 3 CO 0.00 -0.35 -0.17 -0.63 -0.54 0.00 0.00 174.62 172.93 3k6q s ILE 4 N -2.31 2.75 0.29 2.99 1.01 0.20 -4.95 121.20 121.19 3k6q s ILE 4 Ca 0.30 -0.81 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 3k6q s ILE 4 Cb -0.06 -2.09 -0.12 0.00 0.01 0.00 0.00 42.46 40.20 3k6q s ILE 4 CO 0.17 0.56 1.57 -3.20 0.00 0.00 0.00 174.94 174.04 3k6q n ASN 5 N 2.97 3.74 0.23 3.58 2.85 -1.26 -1.05 115.26 126.32 3k6q n ASN 5 Ca -0.18 1.15 0.10 0.00 -0.11 0.00 0.00 54.58 55.55 3k6q n ASN 5 Cb 0.52 -1.58 0.67 0.00 1.24 0.00 0.00 39.78 40.64 3k6q n ASN 5 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k6q h ALA 6 N 4.59 2.02 -0.30 5.20 0.00 -1.64 -2.22 119.26 126.91 3k6q h ALA 6 Ca -0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3k6q h ALA 6 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3k6q h ALA 6 CO 0.78 -0.08 0.12 1.15 0.00 0.00 0.00 179.25 181.22 3k6q h THR 7 N 0.00 1.17 -0.76 0.00 2.02 -1.90 0.23 112.91 113.67 3k6q h THR 7 Ca 0.03 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.72 3k6q h THR 7 Cb 0.13 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3k6q h THR 7 CO -0.00 0.18 0.49 -0.08 0.37 0.00 0.00 175.52 176.48 3k6q h GLU 8 N 0.33 0.94 -0.03 6.66 4.57 -1.80 -1.34 114.58 123.92 3k6q h GLU 8 Ca 0.10 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3k6q h GLU 8 Cb 0.17 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3k6q h GLU 8 CO -0.01 0.62 0.01 0.82 -1.18 0.00 0.00 179.01 179.27 3k6q h ILE 9 N 0.97 1.18 -0.93 2.32 1.08 -1.18 -2.86 117.51 118.09 3k6q h ILE 9 Ca 0.29 -0.53 0.07 0.00 -0.39 0.00 0.00 64.86 64.30 3k6q h ILE 9 Cb -0.04 1.49 -0.06 0.00 -3.07 0.00 0.00 36.82 35.13 3k6q h ILE 9 CO -0.09 0.14 0.59 -0.09 -0.69 0.00 0.00 178.15 178.01 3k6q h ARG 10 N -0.17 1.03 0.00 2.37 2.43 -0.27 -1.65 114.38 118.13 3k6q h ARG 10 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3k6q h ARG 10 Cb 0.22 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3k6q h ARG 10 CO -0.00 0.68 0.00 0.09 -1.51 0.00 0.00 179.97 179.23 3k6q n ASN 11 N -4.57 0.33 -2.65 -3.80 3.02 -0.53 -3.48 115.26 103.58 3k6q n ASN 11 Ca 0.14 0.54 -0.07 0.00 -0.03 0.00 0.00 54.58 55.16 3k6q n ASN 11 Cb 0.19 -0.62 0.04 0.00 -0.61 0.00 0.00 39.78 38.77 3k6q n ASN 11 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3k6q n ASN 12 N -1.82 2.26 0.06 6.41 3.02 -0.87 -4.97 115.26 119.36 3k6q n ASN 12 Ca 0.06 -2.52 -0.13 0.00 -0.03 0.00 0.00 54.58 51.97 3k6q n ASN 12 Cb 0.36 -0.46 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 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 2.61 -0.10 -0.56 3.10 3.57 -1.35 -1.53 116.94 122.67 3k6q h PHE 13 Ca -0.03 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3k6q h PHE 13 Cb 1.28 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.00 3k6q h PHE 13 CO 0.57 0.07 0.25 0.77 -2.23 0.00 0.00 178.31 177.75 3k6q h SER 14 N -0.25 0.33 -0.51 0.41 0.02 -1.91 -0.97 113.55 110.67 3k6q h SER 14 Ca -0.01 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3k6q h SER 14 Cb 0.22 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3k6q h SER 14 CO 0.02 0.22 0.25 0.22 -1.14 0.00 0.00 176.83 176.39 3k6q h TYR 15 N 0.48 0.45 -0.21 3.45 3.20 -1.88 -1.45 116.97 121.00 3k6q h TYR 15 Ca 0.26 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.97 3k6q h TYR 15 Cb 0.23 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 3k6q h TYR 15 CO -0.12 0.21 -0.61 1.88 -1.64 0.00 0.00 178.16 177.88 3k6q h TYR 16 N 0.48 0.92 -0.55 -3.82 0.05 -0.66 -1.80 116.97 111.59 3k6q h TYR 16 Ca 0.23 -0.35 0.11 0.00 0.05 0.00 0.00 58.73 58.77 3k6q h TYR 16 Cb 0.15 -0.17 -0.11 0.00 1.01 0.00 0.00 36.73 37.62 3k6q h TYR 16 CO -0.11 1.14 -0.16 0.82 -1.05 0.00 0.00 178.16 178.80 3k6q h ILE 17 N 0.54 0.41 -0.63 -2.88 2.04 -1.11 -1.46 117.51 114.41 3k6q h ILE 17 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3k6q h ILE 17 Cb 1.19 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.63 3k6q h ILE 17 CO 0.12 0.00 0.36 -0.78 0.00 0.00 0.00 178.15 177.85 3k6q h ASP 18 N -0.03 0.55 -0.60 1.72 3.58 -0.96 -0.52 116.42 120.16 3k6q h ASP 18 Ca 0.26 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.67 3k6q h ASP 18 Cb 0.43 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 3k6q h ASP 18 CO -0.58 0.37 0.16 0.71 -2.88 0.00 0.00 179.24 177.01 3k6q h THR 19 N 0.69 1.25 -0.30 2.25 1.35 -0.51 0.31 112.91 117.94 3k6q h THR 19 Ca 0.27 -0.90 -0.12 0.00 -0.55 0.00 0.00 66.41 65.12 3k6q h THR 19 Cb 0.12 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.13 3k6q h THR 19 CO -0.15 0.34 -0.26 0.58 -0.25 0.00 0.00 175.52 175.78 3k6q h VAL 20 N 0.95 1.30 -0.50 6.82 2.07 -0.90 0.29 116.25 126.27 3k6q h VAL 20 Ca 0.20 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.29 3k6q h VAL 20 Cb 0.33 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3k6q h VAL 20 CO -0.00 0.46 0.30 0.58 0.02 0.00 0.00 177.57 178.92 3k6q h VAL 21 N 0.45 1.15 0.00 2.57 2.07 -0.89 -3.34 116.25 118.26 3k6q h VAL 21 Ca 0.05 -0.35 -0.29 0.00 0.82 0.00 0.00 66.70 66.93 3k6q h VAL 21 Cb 0.83 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3k6q h VAL 21 CO 0.07 0.16 -1.70 0.03 0.02 0.00 0.00 177.57 176.15 3k6q h ARG 22 N 0.67 0.01 0.00 1.57 3.08 -0.86 -3.47 114.38 115.37 3k6q h ARG 22 Ca 0.18 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3k6q h ARG 22 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3k6q h ARG 22 CO -0.03 0.52 0.00 -3.47 -1.07 0.00 0.00 179.97 175.91 3k6q n ASP 23 N -3.06 0.28 -3.64 7.04 2.03 0.99 -5.07 116.55 115.11 3k6q n ASP 23 Ca -0.17 0.09 -0.12 0.00 0.52 0.00 0.00 54.79 55.11 3k6q n ASP 23 Cb 1.05 -0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 41.35 3k6q n ASP 23 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3k6q s LYS 24 N -1.38 0.97 0.57 -0.67 -2.85 -1.11 -5.04 119.74 110.24 3k6q s LYS 24 Ca 0.00 -0.42 -0.20 0.00 -1.00 0.00 0.00 55.97 54.35 3k6q s LYS 24 Cb 0.00 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 3k6q s LYS 24 CO 0.00 -0.35 1.24 -2.14 0.10 0.00 0.00 175.35 174.20 3k6q s PRO 25 N -2.77 3.08 0.15 1.78 0.02 -1.26 -4.03 135.00 131.97 3k6q s PRO 25 Ca -0.03 1.93 0.10 0.00 0.02 0.00 0.00 61.00 63.01 3k6q s PRO 25 Cb -0.00 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 3k6q s PRO 25 CO -0.04 -1.15 -0.24 0.96 -0.33 0.00 0.00 177.00 176.20 3k6q s ILE 26 N -1.51 2.14 -0.15 2.83 -4.36 -0.89 -5.00 121.20 114.27 3k6q s ILE 26 Ca 0.75 -1.84 -0.05 0.00 -0.26 0.00 0.00 60.65 59.25 3k6q s ILE 26 Cb -0.33 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.40 3k6q s ILE 26 CO 0.37 -0.06 0.02 0.00 0.24 0.00 0.00 174.94 175.51 3k6q s ALA 27 N -1.41 3.27 -0.11 2.27 0.00 -1.26 -0.85 121.76 123.67 3k6q s ALA 27 Ca 0.15 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3k6q s ALA 27 Cb -0.09 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.34 3k6q s ALA 27 CO 0.07 0.31 -0.22 0.08 0.00 0.00 0.00 175.76 176.00 3k6q s VAL 28 N -0.01 1.98 -0.20 0.00 1.01 0.15 -0.63 120.40 122.70 3k6q s VAL 28 Ca 0.04 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 3k6q s VAL 28 Cb -0.13 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 3k6q s VAL 28 CO 0.02 0.54 -0.07 -0.75 0.00 0.00 0.00 175.10 174.83 3k6q s LYS 29 N 0.51 3.34 -0.38 2.72 2.47 -0.21 -0.92 119.74 127.28 3k6q s LYS 29 Ca -0.15 -0.65 0.02 0.00 -1.56 0.00 0.00 55.97 53.63 3k6q s LYS 29 Cb -0.17 -2.91 0.11 0.00 -1.46 0.00 0.00 37.83 33.39 3k6q s LYS 29 CO 0.05 -0.14 0.11 0.50 0.16 0.00 0.00 175.35 176.04 3k6q s ARG 30 N 1.29 1.66 7.07 4.03 3.52 0.12 -1.55 118.95 135.09 3k6q s ARG 30 Ca 0.03 -1.95 0.00 0.00 -0.13 0.00 0.00 55.73 53.68 3k6q s ARG 30 Cb -0.14 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3k6q s ARG 30 CO -0.03 -0.99 0.00 0.09 -0.81 0.00 0.00 175.30 173.56 3k6q n ASN 31 N 4.20 0.00 0.02 -2.12 3.02 -1.26 -1.75 115.26 117.37 3k6q n ASN 31 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 3k6q n ASN 31 Cb 0.41 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.80 3k6q n ASN 31 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3k6q n ARG 32 N 7.37 0.09 -3.44 3.52 1.74 -1.26 -4.91 116.66 119.77 3k6q n ARG 32 Ca 0.00 0.02 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 3k6q n ARG 32 Cb 0.00 -1.55 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 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 -3.36 6.76 -0.14 0.55 1.01 -0.72 -5.07 116.67 115.70 3k6q s ASP 33 Ca 0.09 0.90 -0.00 0.00 0.71 0.00 0.00 52.55 54.25 3k6q s ASP 33 Cb 0.16 -2.26 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 3k6q s ASP 33 CO 0.71 0.22 -0.13 -0.69 0.21 0.00 0.00 175.17 175.49 3k6q s VAL 34 N -0.49 2.99 0.17 -1.27 1.01 -1.26 0.15 120.40 121.69 3k6q s VAL 34 Ca 0.24 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.66 3k6q s VAL 34 Cb -0.16 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3k6q s VAL 34 CO 0.12 0.51 -0.25 -0.76 0.00 0.00 0.00 175.10 174.73 3k6q s LEU 35 N 0.53 2.39 -0.07 3.92 1.02 -0.10 -4.96 118.68 121.42 3k6q s LEU 35 Ca -0.09 -0.82 0.05 0.00 0.02 0.00 0.00 54.13 53.29 3k6q s LEU 35 Cb -0.16 -1.17 -0.00 0.00 0.02 0.00 0.00 46.19 44.88 3k6q s LEU 35 CO 0.04 0.14 -0.22 -0.76 0.02 0.00 0.00 176.35 175.57 3k6q s LEU 36 N -2.44 2.00 -0.17 1.79 1.43 -1.26 -0.67 118.68 119.35 3k6q s LEU 36 Ca 0.18 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3k6q s LEU 36 Cb -0.09 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3k6q s LEU 36 CO 0.08 0.17 -0.09 -0.36 0.23 0.00 0.00 176.35 176.39 3k6q s PHE 37 N 0.14 2.90 0.05 0.29 0.40 -0.03 -5.01 117.98 116.71 3k6q s PHE 37 Ca -0.10 -0.74 0.05 0.00 -0.60 0.00 0.00 56.93 55.53 3k6q s PHE 37 Cb -0.15 -1.96 -0.02 0.00 0.51 0.00 0.00 43.02 41.39 3k6q s PHE 37 CO 0.05 -0.34 -0.13 -0.06 0.70 0.00 0.00 175.22 175.44 3k6q s PHE 38 N 0.82 1.15 0.44 0.36 0.40 -1.26 -2.09 117.98 117.80 3k6q s PHE 38 Ca -0.03 -0.38 -0.25 0.00 -0.60 0.00 0.00 56.93 55.67 3k6q s PHE 38 Cb -0.15 -0.67 -0.09 0.00 0.51 0.00 0.00 43.02 42.62 3k6q s PHE 38 CO 0.01 0.03 1.29 -1.13 0.70 0.00 0.00 175.22 176.12 3k6q n SER 39 N 1.73 2.61 -0.20 1.36 3.41 -1.26 -4.93 113.62 116.34 3k6q n SER 39 Ca -0.19 1.09 -0.00 0.00 -0.26 0.00 0.00 58.87 59.50 3k6q n SER 39 Cb 0.55 -1.52 0.10 0.00 -0.26 0.00 0.00 64.21 63.08 3k6q n SER 39 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3k6q h GLU 40 N 1.99 0.34 -0.54 4.33 4.81 -1.97 -2.31 114.58 121.23 3k6q h GLU 40 Ca -0.49 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.76 3k6q h GLU 40 Cb 1.29 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3k6q h GLU 40 CO 0.59 0.22 0.36 0.37 -0.73 0.00 0.00 179.01 179.83 3k6q h GLN 41 N 0.35 0.58 -0.57 1.92 5.75 -1.99 -1.78 115.11 119.36 3k6q h GLN 41 Ca 0.30 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.66 3k6q h GLN 41 Cb 0.40 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 3k6q h GLN 41 CO -0.33 0.38 -0.06 0.82 -2.65 0.00 0.00 178.83 176.99 3k6q h ILE 42 N 0.60 1.27 -0.29 2.39 2.04 -1.80 -0.89 117.51 120.82 3k6q h ILE 42 Ca 0.22 -1.22 -0.16 0.00 1.00 0.00 0.00 64.86 64.71 3k6q h ILE 42 Cb 0.14 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3k6q h ILE 42 CO -0.06 0.44 -0.45 0.40 0.00 0.00 0.00 178.15 178.48 3k6q h ILE 43 N 0.94 1.29 -0.25 -0.67 1.08 -1.31 -0.23 117.51 118.35 3k6q h ILE 43 Ca 0.15 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.00 3k6q h ILE 43 Cb 0.63 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.90 3k6q h ILE 43 CO 0.04 0.53 0.16 0.11 -0.69 0.00 0.00 178.15 178.30 3k6q h LYS 44 N 0.61 0.32 -0.58 2.37 1.57 -1.11 -2.29 116.57 117.45 3k6q h LYS 44 Ca 0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3k6q h LYS 44 Cb 1.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.22 3k6q h LYS 44 CO 0.10 0.21 0.28 -0.44 -0.57 0.00 0.00 179.45 179.02 3k6q h ASP 45 N 0.33 0.77 -0.82 0.86 3.32 -1.04 -2.45 116.42 117.40 3k6q h ASP 45 Ca 0.09 -0.13 0.17 0.00 0.02 0.00 0.00 57.03 57.18 3k6q h ASP 45 Cb -0.03 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.27 3k6q h ASP 45 CO -0.03 0.69 0.54 0.25 -1.72 0.00 0.00 179.24 178.97 3k6q h LEU 46 N 0.79 0.41 -1.74 1.55 6.46 -0.73 -1.35 115.31 120.71 3k6q h LEU 46 Ca 0.20 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 3k6q h LEU 46 Cb 0.13 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3k6q h LEU 46 CO -0.02 0.20 0.00 0.18 -0.62 0.00 0.00 178.44 178.17 3k6q n LEU 47 N -4.49 2.59 -0.32 2.25 4.77 -0.89 -4.52 117.00 116.39 3k6q n LEU 47 Ca 0.16 -1.17 0.10 0.00 -0.03 0.00 0.00 56.01 55.08 3k6q n LEU 47 Cb 0.59 -0.23 0.28 0.00 -2.33 0.00 0.00 43.42 41.73 3k6q n LEU 47 CO 0.32 0.58 1.12 -0.61 -1.33 0.00 0.00 177.39 177.47 3k6q h GLN 48 N 3.19 0.61 -0.00 3.23 5.75 -0.99 -2.56 115.11 124.33 3k6q h GLN 48 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3k6q h GLN 48 Cb 0.71 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.12 3k6q h GLN 48 CO 0.00 0.40 -0.11 -3.47 -2.65 0.00 0.00 178.83 173.00 3k6q n ASP 49 N -4.87 0.23 -4.71 -0.69 2.03 -1.26 -4.81 116.55 102.47 3k6q n ASP 49 Ca 0.20 -0.11 -0.42 0.00 0.52 0.00 0.00 54.79 54.99 3k6q n ASP 49 Cb 0.53 -0.20 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 3k6q n ASP 49 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3k6q s LEU 50 N -2.73 4.35 0.06 -2.67 1.43 -0.97 -5.01 118.68 113.14 3k6q s LEU 50 Ca 0.22 2.07 0.07 0.00 -1.03 0.00 0.00 54.13 55.46 3k6q s LEU 50 Cb 0.19 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 3k6q s LEU 50 CO 0.52 -0.57 -0.18 -0.54 0.23 0.00 0.00 176.35 175.81 3k6q s LYS 51 N 1.48 1.14 -0.16 1.70 1.02 -1.26 -4.97 119.74 118.68 3k6q s LYS 51 Ca 0.61 -0.95 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 3k6q s LYS 51 Cb -0.31 -1.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.73 3k6q s LYS 51 CO 0.28 0.31 -0.08 0.42 -0.92 0.00 0.00 175.35 175.36 3k6q s ILE 52 N -0.96 3.39 -0.12 2.17 1.01 -0.00 -5.01 121.20 121.67 3k6q s ILE 52 Ca 0.05 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 3k6q s ILE 52 Cb -0.09 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.87 3k6q s ILE 52 CO 0.02 0.49 0.06 -1.00 0.00 0.00 0.00 174.94 174.51 3k6q s HIS 53 N 0.66 3.31 0.00 3.97 3.76 -1.26 -0.30 115.29 125.44 3k6q s HIS 53 Ca -0.04 0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 3k6q s HIS 53 Cb -0.15 -1.91 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 3k6q s HIS 53 CO 0.02 0.47 -0.19 0.00 -0.85 0.00 0.00 174.74 174.19 3k6q s ALA 54 N -0.61 1.59 -0.14 -1.40 0.00 -0.36 -4.68 121.76 116.17 3k6q s ALA 54 Ca 0.11 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3k6q s ALA 54 Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 3k6q s ALA 54 CO 0.02 0.38 -0.09 -1.21 0.00 0.00 0.00 175.76 174.86 3k6q s GLU 55 N -0.66 3.49 -0.09 0.00 2.02 -0.60 -0.91 118.70 121.95 3k6q s GLU 55 Ca 0.07 -0.61 0.04 0.00 0.02 0.00 0.00 54.97 54.49 3k6q s GLU 55 Cb -0.08 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.39 3k6q s GLU 55 CO 0.00 0.24 -0.22 -0.51 0.02 0.00 0.00 175.26 174.80 3k6q s LEU 56 N 0.31 2.25 -0.11 1.80 1.02 -0.49 -0.89 118.68 122.56 3k6q s LEU 56 Ca -0.07 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.64 3k6q s LEU 56 Cb -0.15 -1.45 0.01 0.00 0.02 0.00 0.00 46.19 44.62 3k6q s LEU 56 CO 0.04 0.21 -0.22 -0.55 0.02 0.00 0.00 176.35 175.85 3k6q s SER 57 N 0.07 3.00 -0.16 2.29 0.15 -0.11 0.33 113.70 119.28 3k6q s SER 57 Ca -0.09 -0.56 -0.05 0.00 0.70 0.00 0.00 55.95 55.95 3k6q s SER 57 Cb -0.15 -1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 62.74 3k6q s SER 57 CO 0.06 0.12 0.01 -0.75 1.20 0.00 0.00 173.24 173.87 3k6q s LYS 58 N 0.57 3.71 -0.28 5.44 2.20 -1.26 -0.90 119.74 129.22 3k6q s LYS 58 Ca -0.14 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.05 3k6q s LYS 58 Cb -0.17 -3.02 0.15 0.00 -1.51 0.00 0.00 37.83 33.29 3k6q s LYS 58 CO 0.04 0.32 0.40 -2.00 -0.36 0.00 0.00 175.35 173.75 3k6q s GLU 59 N 0.19 0.40 -0.36 4.03 2.12 -0.59 -5.00 118.70 119.49 3k6q s GLU 59 Ca 0.01 0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.56 3k6q s GLU 59 Cb -0.13 -0.33 -0.00 0.00 0.26 0.00 0.00 34.13 33.92 3k6q s GLU 59 CO 0.02 -0.95 0.30 -0.25 -0.54 0.00 0.00 175.26 173.84 3k6q n ASP 60 N 5.36 -2.18 0.00 -1.70 9.92 -1.26 -3.69 116.55 123.00 3k6q n ASP 60 Ca -0.00 -0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 3k6q n ASP 60 Cb 0.49 -1.93 0.00 0.00 -0.64 0.00 0.00 41.12 39.05 3k6q n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k6q n GLY 61 N -1.08 2.67 3.67 0.44 0.00 -1.26 -4.98 105.19 104.64 3k6q n GLY 61 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.22 4.90 -0.16 -0.61 -1.09 -1.24 -4.52 121.20 116.26 3k6q s ILE 62 Ca 0.00 0.00 -0.05 0.00 -2.23 0.00 0.00 60.65 58.37 3k6q s ILE 62 Cb 0.00 -3.20 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 3k6q s ILE 62 CO 0.00 0.48 0.02 -0.63 -1.23 0.00 0.00 174.94 173.58 3k6q s ILE 63 N 0.19 4.39 -0.17 2.92 1.01 0.47 -1.54 121.20 128.47 3k6q s ILE 63 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 3k6q s ILE 63 Cb -0.12 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3k6q s ILE 63 CO 0.00 0.49 0.03 -0.63 0.00 0.00 0.00 174.94 174.83 3k6q s ILE 64 N 0.23 4.49 -0.06 2.92 -1.09 -0.08 -1.15 121.20 126.46 3k6q s ILE 64 Ca 0.01 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.33 3k6q s ILE 64 Cb -0.13 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.73 3k6q s ILE 64 CO 0.01 0.47 -0.20 -0.83 -1.23 0.00 0.00 174.94 173.17 3k6q s GLY 65 N 0.36 1.40 0.06 6.18 0.00 -0.31 -0.93 107.32 114.08 3k6q s GLY 65 Ca 0.01 -1.01 0.06 0.00 0.00 0.00 0.00 44.72 43.77 3k6q s GLY 65 CO 0.01 -0.64 -0.15 -0.51 0.00 0.00 0.00 173.10 171.80 3k6q s THR 66 N -0.30 1.23 -0.51 0.90 -4.23 -0.06 -1.19 115.64 111.47 3k6q s THR 66 Ca 0.01 -1.19 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 3k6q s THR 66 Cb -0.13 -1.13 0.14 0.00 1.34 0.00 0.00 72.50 72.72 3k6q s THR 66 CO 0.03 -0.07 0.28 -0.63 -0.54 0.00 0.00 174.62 173.69 3k6q s ILE 67 N -1.04 2.18 0.43 2.99 1.01 -0.54 -1.56 121.20 124.67 3k6q s ILE 67 Ca 0.01 -3.18 0.10 0.00 0.00 0.00 0.00 60.65 57.58 3k6q s ILE 67 Cb -0.09 -2.51 0.29 0.00 0.01 0.00 0.00 42.46 40.16 3k6q s ILE 67 CO 0.02 -0.87 2.05 0.44 0.00 0.00 0.00 174.94 176.58 3k6q h ASP 68 N 6.41 0.38 -1.01 3.58 3.32 -1.87 -1.81 116.42 125.42 3k6q h ASP 68 Ca -0.02 -0.00 0.26 0.00 0.02 0.00 0.00 57.03 57.29 3k6q h ASP 68 Cb 0.89 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.28 3k6q h ASP 68 CO 0.62 0.26 0.68 1.23 -1.72 0.00 0.00 179.24 180.31 3k6q h GLY 69 N 0.44 0.71 -0.52 2.75 0.00 -1.94 -1.01 103.07 103.51 3k6q h GLY 69 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3k6q h GLY 69 CO -0.04 -0.06 0.00 0.69 0.00 0.00 0.00 176.54 177.13 3k6q n PHE 70 N -4.46 0.25 -3.53 5.60 3.72 -0.72 -4.98 117.46 113.34 3k6q n PHE 70 Ca 0.23 -0.70 -0.26 0.00 -0.05 0.00 0.00 57.45 56.67 3k6q n PHE 70 Cb 0.91 -0.11 0.03 0.00 -0.94 0.00 0.00 39.48 39.37 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 -0.54 -5.15 -4.79 4.37 -0.08 -0.38 -4.97 116.55 105.00 3k6q n ASP 71 Ca 0.10 -0.54 -0.37 0.00 -1.51 0.00 0.00 54.79 52.48 3k6q n ASP 71 Cb 0.49 -4.14 -0.07 0.00 2.34 0.00 0.00 41.12 39.75 3k6q n ASP 71 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3k6q s LEU 72 N -6.98 4.32 -0.13 -2.67 1.43 -0.98 -5.00 118.68 108.67 3k6q s LEU 72 Ca 0.51 0.53 -0.08 0.00 -1.03 0.00 0.00 54.13 54.07 3k6q s LEU 72 Cb -0.25 -2.28 0.05 0.00 0.03 0.00 0.00 46.19 43.73 3k6q s LEU 72 CO 0.63 0.24 0.31 0.54 0.23 0.00 0.00 176.35 178.29 3k6q s VAL 73 N -0.22 -0.03 0.18 -1.59 0.11 -1.26 -1.47 120.40 116.12 3k6q s VAL 73 Ca 0.16 0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.31 3k6q s VAL 73 Cb -0.13 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 3k6q s VAL 73 CO 0.05 0.04 0.09 0.68 -3.33 0.00 0.00 175.10 172.63 3k6q s VAL 74 N 1.08 0.14 0.03 2.04 -7.23 -0.34 -5.00 120.40 111.12 3k6q s VAL 74 Ca -0.07 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 3k6q s VAL 74 Cb -0.08 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 3k6q s VAL 74 CO -0.08 -0.18 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.83 3k6q s SER 75 N -3.14 1.82 0.31 4.85 0.15 -1.26 -1.16 113.70 115.26 3k6q s SER 75 Ca 0.33 -0.43 -0.18 0.00 0.70 0.00 0.00 55.95 56.38 3k6q s SER 75 Cb 0.07 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.27 3k6q s SER 75 CO 0.08 0.09 0.71 -0.83 1.20 0.00 0.00 173.24 174.49 3k6q s GLY 76 N -0.98 0.19 0.00 9.45 0.00 -0.30 -4.82 107.32 110.85 3k6q s GLY 76 Ca 0.03 -0.56 0.23 0.00 0.00 0.00 0.00 44.72 44.43 3k6q s GLY 76 CO 0.01 -0.25 1.18 1.18 0.00 0.00 0.00 173.10 175.22 3k6q n GLU 77 N -0.48 1.75 -3.77 2.90 1.02 -1.26 -0.40 120.64 120.40 3k6q n GLU 77 Ca -0.05 -1.44 -0.10 0.00 -0.02 0.00 0.00 57.16 55.55 3k6q n GLU 77 Cb 0.60 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.48 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 -2.25 -0.04 0.36 1.62 1.04 -1.26 -4.83 113.70 108.35 3k6q s SER 78 Ca 0.23 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.27 3k6q s SER 78 Cb 0.19 0.38 0.69 0.00 0.10 0.00 0.00 66.02 67.38 3k6q s SER 78 CO 0.44 -0.72 2.01 -0.08 0.98 0.00 0.00 173.24 175.87 3k6q h GLU 79 N 2.81 0.72 -0.07 4.02 4.81 -1.98 -1.63 114.58 123.25 3k6q h GLU 79 Ca -0.33 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 58.63 3k6q h GLU 79 Cb 1.21 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3k6q h GLU 79 CO 0.51 0.50 -0.84 1.96 -0.73 0.00 0.00 179.01 180.41 3k6q h GLN 80 N 0.74 0.56 -0.39 1.92 7.50 -1.99 -0.62 115.11 122.83 3k6q h GLN 80 Ca 0.19 -0.51 -0.02 0.00 0.50 0.00 0.00 58.65 58.82 3k6q h GLN 80 Cb -0.04 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.60 3k6q h GLN 80 CO -0.04 1.14 0.17 1.49 -1.50 0.00 0.00 178.83 180.09 3k6q h GLU 81 N 0.36 0.56 -0.50 1.46 4.81 -1.89 -1.87 114.58 117.51 3k6q h GLU 81 Ca -0.06 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3k6q h GLU 81 Cb 1.45 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 3k6q h GLU 81 CO 0.16 0.52 0.25 0.28 -0.73 0.00 0.00 179.01 179.48 3k6q h VAL 82 N 0.48 1.19 -0.52 0.32 2.07 -1.13 -1.69 116.25 116.98 3k6q h VAL 82 Ca 0.13 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3k6q h VAL 82 Cb 0.15 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3k6q h VAL 82 CO -0.01 0.21 -0.05 0.40 0.02 0.00 0.00 177.57 178.14 3k6q h ILE 83 N 0.67 1.26 -0.29 4.57 2.04 -1.01 -0.75 117.51 124.00 3k6q h ILE 83 Ca 0.17 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.92 3k6q h ILE 83 Cb 0.11 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3k6q h ILE 83 CO -0.02 0.40 0.15 -0.61 0.00 0.00 0.00 178.15 178.07 3k6q h GLN 84 N 0.83 0.30 -0.48 2.37 5.75 -1.11 -0.38 115.11 122.39 3k6q h GLN 84 Ca 0.15 -0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 3k6q h GLN 84 Cb 0.55 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 3k6q h GLN 84 CO 0.03 0.20 -0.09 0.87 -2.65 0.00 0.00 178.83 177.19 3k6q h LYS 85 N 0.31 0.87 -0.59 1.69 1.57 -1.00 -1.79 116.57 117.64 3k6q h LYS 85 Ca 0.12 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3k6q h LYS 85 Cb 0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3k6q h LYS 85 CO -0.08 0.93 0.10 -0.07 -0.57 0.00 0.00 179.45 179.76 3k6q h LEU 86 N 0.79 0.89 -0.65 2.94 3.38 -0.92 -0.91 115.31 120.83 3k6q h LEU 86 Ca 0.13 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3k6q h LEU 86 Cb 0.60 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3k6q h LEU 86 CO 0.04 0.89 0.26 0.00 0.09 0.00 0.00 178.44 179.72 3k6q h ALA 87 N 1.22 0.84 -0.57 1.53 0.00 -0.78 0.14 119.26 121.64 3k6q h ALA 87 Ca 0.18 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3k6q h ALA 87 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3k6q h ALA 87 CO 0.01 0.46 0.02 0.93 0.00 0.00 0.00 179.25 180.67 3k6q h GLU 88 N 0.91 0.99 -0.16 0.00 5.08 -1.08 -1.82 114.58 118.50 3k6q h GLU 88 Ca 0.22 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3k6q h GLU 88 Cb 0.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3k6q h GLU 88 CO -0.02 0.98 -0.39 -0.44 -1.00 0.00 0.00 179.01 178.14 3k6q h ASP 89 N 0.87 0.36 -0.17 1.42 5.19 -0.79 -1.33 116.42 121.97 3k6q h ASP 89 Ca 0.16 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 3k6q h ASP 89 Cb 0.52 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 3k6q h ASP 89 CO 0.03 0.72 0.08 -0.07 -3.12 0.00 0.00 179.24 176.88 3k6q h LEU 90 N 0.29 0.23 -0.91 1.55 3.38 -0.54 -0.77 115.31 118.54 3k6q h LEU 90 Ca 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3k6q h LEU 90 Cb 0.82 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3k6q h LEU 90 CO 0.07 0.30 0.42 0.25 0.09 0.00 0.00 178.44 179.57 3k6q h LEU 91 N 0.14 1.08 -0.07 1.67 5.85 -1.10 0.88 115.31 123.76 3k6q h LEU 91 Ca 0.06 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3k6q h LEU 91 Cb 0.14 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3k6q h LEU 91 CO -0.01 0.90 0.03 -0.08 -0.34 0.00 0.00 178.44 178.95 3k6q h GLU 92 N 1.19 0.07 -0.62 1.25 4.81 -1.10 -1.17 114.58 119.01 3k6q h GLU 92 Ca 0.29 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3k6q h GLU 92 Cb 0.09 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3k6q h GLU 92 CO -0.04 0.05 0.40 -0.92 -0.73 0.00 0.00 179.01 177.77 3k6q h TYR 93 N 0.08 0.76 -0.88 0.92 3.20 -0.71 -1.57 116.97 118.77 3k6q h TYR 93 Ca 0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3k6q h TYR 93 Cb 0.00 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 3k6q h TYR 93 CO -0.09 0.46 0.57 0.00 -1.64 0.00 0.00 178.16 177.46 3k6q h ALA 94 N 1.25 1.11 -0.49 1.82 0.00 -0.45 0.41 119.26 122.91 3k6q h ALA 94 Ca 0.24 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3k6q h ALA 94 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 3k6q h ALA 94 CO -0.07 0.53 0.02 1.96 0.00 0.00 0.00 179.25 181.69 3k6q h GLN 95 N 1.19 0.85 -0.35 0.00 4.20 -1.05 -3.06 115.11 116.90 3k6q h GLN 95 Ca 0.32 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3k6q h GLN 95 Cb -0.11 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 3k6q h GLN 95 CO -0.07 0.88 0.14 -0.44 -0.67 0.00 0.00 178.83 178.68 3k6q h ASP 96 N 0.71 0.48 0.00 1.46 3.32 -0.85 -1.84 116.42 119.70 3k6q h ASP 96 Ca 0.14 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3k6q h ASP 96 Cb 0.48 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3k6q h ASP 96 CO 0.02 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 178.05 3k6q n TYR 97 N -4.70 0.00 0.00 4.55 4.19 0.10 -2.53 117.16 118.77 3k6q n TYR 97 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 3k6q n TYR 97 Cb 0.14 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.97 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 0.36 0.00 -2.79 2.98 4.13 -0.69 -1.32 115.26 117.92 3k6q n ASN 99 Ca 0.00 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.08 3k6q n ASN 99 Cb 0.00 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3k6q n ASN 99 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3k6q n ASP 100 N 0.00 2.57 -0.18 6.41 2.03 -1.05 -4.97 116.55 121.36 3k6q n ASP 100 Ca 0.00 -3.18 -0.02 0.00 0.52 0.00 0.00 54.79 52.10 3k6q n ASP 100 Cb 0.00 -0.54 0.04 0.00 -0.72 0.00 0.00 41.12 39.90 3k6q n ASP 100 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3k6q h PHE 101 N 2.90 -0.37 -0.63 -0.67 3.57 -1.48 -1.33 116.94 118.92 3k6q h PHE 101 Ca 0.08 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.75 3k6q h PHE 101 Cb 0.96 0.25 -0.12 0.00 2.79 0.00 0.00 35.95 39.82 3k6q h PHE 101 CO 0.62 -0.26 -0.30 -0.22 -2.23 0.00 0.00 178.31 175.92 3k6q h LYS 102 N -0.03 -0.12 -0.09 1.11 3.64 -1.93 0.28 116.57 119.44 3k6q h LYS 102 Ca 0.26 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3k6q h LYS 102 Cb 0.43 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3k6q h LYS 102 CO -0.58 -0.08 0.01 1.25 -2.27 0.00 0.00 179.45 177.78 3k6q h LEU 103 N -0.12 0.14 -0.06 5.20 5.85 -1.65 -3.16 115.31 121.50 3k6q h LEU 103 Ca 0.26 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3k6q h LEU 103 Cb 0.55 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 3k6q h LEU 103 CO -0.70 0.37 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.45 3k6q h PHE 104 N -0.10 0.18 -0.85 1.25 -1.00 -0.92 -0.96 116.94 114.53 3k6q h PHE 104 Ca 0.03 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.77 3k6q h PHE 104 Cb 0.30 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 3k6q h PHE 104 CO 0.02 0.58 0.56 -0.92 -1.61 0.00 0.00 178.31 176.95 3k6q h TYR 105 N -0.28 1.06 -0.33 -0.55 3.20 -0.59 -2.31 116.97 117.18 3k6q h TYR 105 Ca 0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3k6q h TYR 105 Cb 0.55 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3k6q h TYR 105 CO 0.09 0.66 0.00 0.09 -1.64 0.00 0.00 178.16 177.36 3k6q n ASN 106 N -4.41 2.72 -4.77 -2.11 3.02 -1.19 -3.34 115.26 105.17 3k6q n ASN 106 Ca 0.10 -1.90 -0.38 0.00 -0.03 0.00 0.00 54.58 52.38 3k6q n ASN 106 Cb 0.04 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.57 3.20 0.32 5.41 0.00 -0.37 -4.97 121.76 123.78 3k6q s ALA 107 Ca 0.36 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.74 3k6q s ALA 107 Cb 0.20 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.94 3k6q s ALA 107 CO 0.29 -0.10 1.39 -2.30 0.00 0.00 0.00 175.76 175.04 3k6q n PRO 108 N 0.44 2.29 -1.05 0.00 -0.02 -1.26 -2.14 135.00 133.26 3k6q n PRO 108 Ca 0.03 0.81 -0.02 0.00 -2.02 0.00 0.00 63.50 62.29 3k6q n PRO 108 Cb 0.48 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.19 -4.11 -0.10 2.55 3.02 -1.26 -4.85 115.26 111.69 3k6q n ASN 109 Ca 0.06 0.05 0.02 0.00 -0.03 0.00 0.00 54.58 54.67 3k6q n ASN 109 Cb 0.36 -1.78 0.01 0.00 -0.61 0.00 0.00 39.78 37.75 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 -1.76 1.18 -0.14 3.52 1.74 -0.91 -4.60 116.66 115.69 3k6q n ARG 110 Ca -0.02 -0.51 -0.11 0.00 -0.77 0.00 0.00 57.85 56.44 3k6q n ARG 110 Cb 0.21 -0.95 -0.02 0.00 -1.02 0.00 0.00 32.46 30.68 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 0.48 0.78 0.00 5.56 3.64 -1.72 -2.76 116.57 122.54 3k6q h LYS 111 Ca 0.00 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3k6q h LYS 111 Cb 0.12 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3k6q h LYS 111 CO 0.00 0.91 0.00 1.79 -2.27 0.00 0.00 179.45 179.88 3k6q h THR 112 N 0.59 0.00 0.00 1.00 1.35 -1.90 -1.29 112.91 112.65 3k6q h THR 112 Ca 0.10 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.78 3k6q h THR 112 Cb 0.62 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3k6q h THR 112 CO 0.04 0.00 -0.04 0.45 -0.25 0.00 0.00 175.52 175.72 3k6q h HIS 113 N 0.00 0.00 -0.64 4.73 3.86 -1.75 -3.37 115.15 117.98 3k6q h HIS 113 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 3k6q h HIS 113 Cb 0.24 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 3k6q h HIS 113 CO 0.00 0.04 0.21 -0.92 0.86 0.00 0.00 177.93 178.12 3k6q h TYR 114 N 0.00 1.03 -0.55 2.45 3.20 -1.33 -1.96 116.97 119.82 3k6q h TYR 114 Ca -0.00 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 3k6q h TYR 114 Cb 0.56 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3k6q h TYR 114 CO 0.00 0.83 0.31 -1.35 -1.64 0.00 0.00 178.16 176.32 3k6q h PRO 115 N 0.93 0.74 -0.11 1.82 0.11 -1.80 0.51 132.00 134.20 3k6q h PRO 115 Ca 0.21 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3k6q h PRO 115 Cb 0.28 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3k6q h PRO 115 CO -0.01 0.53 0.04 1.88 -0.21 0.00 0.00 178.00 180.23 3k6q h TYR 116 N 0.75 0.16 -0.54 0.65 0.05 -1.67 -1.47 116.97 114.91 3k6q h TYR 116 Ca 0.20 -0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.07 3k6q h TYR 116 Cb -0.01 -0.05 -0.09 0.00 1.01 0.00 0.00 36.73 37.59 3k6q h TYR 116 CO 0.00 0.26 -0.04 0.82 -1.05 0.00 0.00 178.16 178.16 3k6q h ILE 117 N 0.01 0.53 -0.12 -2.88 1.08 -0.71 0.62 117.51 116.04 3k6q h ILE 117 Ca 0.04 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 3k6q h ILE 117 Cb 0.17 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 3k6q h ILE 117 CO -0.00 0.01 -0.02 0.25 -0.69 0.00 0.00 178.15 177.70 3k6q h LEU 118 N 0.08 0.22 -0.18 1.44 5.85 -0.85 -0.24 115.31 121.63 3k6q h LEU 118 Ca 0.27 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3k6q h LEU 118 Cb 0.43 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3k6q h LEU 118 CO -0.49 0.52 0.07 0.50 -0.34 0.00 0.00 178.44 178.70 3k6q h LYS 119 N -0.08 0.15 -0.58 1.25 3.64 -1.00 -1.40 116.57 118.55 3k6q h LYS 119 Ca 0.03 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3k6q h LYS 119 Cb 0.42 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 3k6q h LYS 119 CO 0.01 0.10 0.24 0.28 -2.27 0.00 0.00 179.45 177.81 3k6q h VAL 120 N 0.16 0.83 0.00 2.00 2.07 -0.68 -1.96 116.25 118.67 3k6q h VAL 120 Ca 0.08 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3k6q h VAL 120 Cb 0.04 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3k6q h VAL 120 CO -0.07 0.08 -0.32 -0.07 0.02 0.00 0.00 177.57 177.21 3k6q h LEU 121 N 0.45 0.00 -0.04 2.57 3.38 -0.66 -2.77 115.31 118.24 3k6q h LEU 121 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3k6q h LEU 121 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3k6q h LEU 121 CO -0.26 0.32 -0.00 -0.07 0.09 0.00 0.00 178.44 178.52 3k6q h LEU 122 N 0.00 0.00 -9.74 1.67 3.38 -0.56 -3.45 115.31 106.61 3k6q h LEU 122 Ca -0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.39 3k6q h LEU 122 Cb 0.62 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.50 3k6q h LEU 122 CO 0.04 0.00 0.28 -1.20 0.09 0.00 0.00 178.44 177.66 3k6q n SER 123 N -3.10 1.68 0.18 -0.43 7.64 -0.81 -4.93 113.62 113.84 3k6q n SER 123 Ca 0.04 1.03 0.10 0.00 1.01 0.00 0.00 58.87 61.04 3k6q n SER 123 Cb 0.53 -1.42 0.11 0.00 -1.01 0.00 0.00 64.21 62.42 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 1.58 0.00 -5.45 6.43 0.02 -1.87 -3.49 113.55 110.77 3k6q h SER 124 Ca -0.46 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 60.70 3k6q h SER 124 Cb 1.33 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.78 3k6q h SER 124 CO 0.57 0.12 0.58 0.54 -1.14 0.00 0.00 176.83 177.50 3k6q s ASN 125 N -6.11 -0.12 0.31 3.07 2.20 -1.26 -5.05 114.94 107.98 3k6q s ASN 125 Ca 0.05 -0.38 0.09 0.00 -0.94 0.00 0.00 52.86 51.68 3k6q s ASN 125 Cb 0.06 0.41 0.51 0.00 -2.00 0.00 0.00 41.25 40.24 3k6q s ASN 125 CO 0.71 -0.77 1.72 0.40 -2.94 0.00 0.00 177.10 176.22 3k6q h ILE 126 N 2.00 1.32 -0.82 0.54 1.08 -1.96 -2.32 117.51 117.35 3k6q h ILE 126 Ca -0.26 -1.54 0.15 0.00 -0.39 0.00 0.00 64.86 62.82 3k6q h ILE 126 Cb 1.22 1.75 -0.10 0.00 -3.07 0.00 0.00 36.82 36.63 3k6q h ILE 126 CO 0.28 0.45 0.39 0.44 -0.69 0.00 0.00 178.15 179.02 3k6q h ASP 127 N 0.12 0.44 -0.34 1.72 3.32 -2.00 -0.81 116.42 118.87 3k6q h ASP 127 Ca 0.01 0.10 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3k6q h ASP 127 Cb 0.81 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 3k6q h ASP 127 CO 0.06 0.18 0.00 -0.33 -1.72 0.00 0.00 179.24 177.43 3k6q h GLU 128 N 0.56 0.60 -0.63 3.56 5.08 -1.83 -3.02 114.58 118.90 3k6q h GLU 128 Ca 0.45 -0.19 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 3k6q h GLU 128 Cb 0.66 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.80 3k6q h GLU 128 CO -0.38 0.72 0.32 0.28 -1.00 0.00 0.00 179.01 178.95 3k6q h VAL 129 N 0.41 0.92 -0.40 3.13 2.07 -1.14 -1.95 116.25 119.28 3k6q h VAL 129 Ca 0.10 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3k6q h VAL 129 Cb 0.45 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3k6q h VAL 129 CO 0.02 0.11 0.27 0.11 0.02 0.00 0.00 177.57 178.09 3k6q h LYS 130 N 0.59 0.31 0.00 1.57 1.57 -1.06 -2.39 116.57 117.16 3k6q h LYS 130 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3k6q h LYS 130 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3k6q h LYS 130 CO -0.21 0.20 0.00 0.41 -0.57 0.00 0.00 179.45 179.28 3k6q n GLY 131 N -1.52 -1.14 0.33 3.86 0.00 -0.73 -2.21 105.19 103.77 3k6q n GLY 131 Ca 0.05 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.21 3k6q n GLY 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3k6q n TYR 132 N -2.01 0.26 -3.47 1.61 0.18 -0.90 -4.93 117.16 107.90 3k6q n TYR 132 Ca 0.02 -1.01 -0.39 0.00 1.88 0.00 0.00 57.90 58.40 3k6q n TYR 132 Cb 0.19 -0.20 -0.10 0.00 -0.38 0.00 0.00 39.34 38.85 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 -2.90 5.23 -0.35 -3.48 1.01 -0.94 -0.82 121.20 118.95 3k6q s ILE 133 Ca 0.35 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 61.28 3k6q s ILE 133 Cb 0.30 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 39.17 3k6q s ILE 133 CO 0.04 0.15 0.11 -0.31 0.00 0.00 0.00 174.94 174.94 3k6q s TYR 134 N 1.94 3.31 0.03 3.97 1.51 0.58 -4.97 117.35 123.72 3k6q s TYR 134 Ca 0.11 -1.65 -0.17 0.00 -1.01 0.00 0.00 57.07 54.35 3k6q s TYR 134 Cb -0.16 -2.44 -0.06 0.00 -0.11 0.00 0.00 41.96 39.19 3k6q s TYR 134 CO 0.11 -0.79 0.49 0.00 -1.11 0.00 0.00 175.55 174.24 3k6q s ALA 135 N 1.34 3.64 0.00 3.71 0.00 -1.26 -1.22 121.76 127.97 3k6q s ALA 135 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.86 3k6q s ALA 135 Cb -0.20 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3k6q s ALA 135 CO 0.01 0.42 0.00 -0.85 0.00 0.00 0.00 175.76 175.34 3k6q n GLU 136 N 1.85 3.24 0.00 0.00 0.00 -0.08 -4.93 120.64 120.72 3k6q n GLU 136 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 3k6q n GLU 136 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.96 3k6q n GLU 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41