#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6d s ILE 2 N 0.00 3.86 -0.28 -1.33 1.01 -1.26 -4.38 121.20 118.82 3k6d s ILE 2 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 3k6d s ILE 2 Cb 0.00 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 3k6d s ILE 2 CO 0.00 0.50 0.09 -0.69 0.00 0.00 0.00 174.94 174.84 3k6d s VAL 3 N 0.32 4.22 -0.53 2.92 1.01 0.62 -5.00 120.40 123.95 3k6d s VAL 3 Ca -0.04 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3k6d s VAL 3 Cb -0.14 -3.09 0.24 0.00 0.00 0.00 0.00 36.38 33.39 3k6d s VAL 3 CO 0.03 0.18 0.62 0.00 0.00 0.00 0.00 175.10 175.93 3k6d n ALA 4 N 4.91 3.31 -1.43 5.51 0.00 -1.26 -1.23 120.51 130.32 3k6d n ALA 4 Ca -0.15 -4.12 -0.36 0.00 0.00 0.00 0.00 53.44 48.80 3k6d n ALA 4 Cb 0.50 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 19.16 3k6d n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k6d n PRO 5 N 1.24 0.61 -2.72 0.00 -0.02 -1.26 -4.57 135.00 128.28 3k6d n PRO 5 Ca 0.26 0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 61.64 3k6d n PRO 5 Cb 0.46 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.69 3k6d n PRO 5 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3k6d s SER 6 N -1.52 7.08 -0.06 2.55 1.04 -1.26 -4.67 113.70 116.86 3k6d s SER 6 Ca 0.74 1.86 0.03 0.00 0.48 0.00 0.00 55.95 59.06 3k6d s SER 6 Cb -0.36 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.16 3k6d s SER 6 CO 0.49 -0.26 -0.15 -0.63 0.98 0.00 0.00 173.24 173.68 3k6d s ILE 7 N -1.76 3.02 -0.08 -1.02 1.01 -0.59 -5.01 121.20 116.75 3k6d s ILE 7 Ca 0.55 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3k6d s ILE 7 Cb -0.17 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 3k6d s ILE 7 CO 0.22 0.58 -0.22 -0.44 0.00 0.00 0.00 174.94 175.09 3k6d s SER 8 N -0.62 3.30 -0.13 3.58 0.01 -1.26 -0.98 113.70 117.60 3k6d s SER 8 Ca 0.09 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.89 3k6d s SER 8 Cb -0.11 -1.18 0.02 0.00 0.21 0.00 0.00 66.02 64.96 3k6d s SER 8 CO 0.01 0.21 -0.17 -0.63 0.41 0.00 0.00 173.24 173.07 3k6d s ILE 9 N 0.07 1.69 0.42 1.44 1.01 -0.05 -4.96 121.20 120.82 3k6d s ILE 9 Ca -0.09 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.56 3k6d s ILE 9 Cb -0.15 -1.54 -0.08 0.00 0.01 0.00 0.00 42.46 40.70 3k6d s ILE 9 CO 0.06 0.48 1.25 -2.16 0.00 0.00 0.00 174.94 174.57 3k6d s PRO 10 N 1.09 3.93 0.83 2.79 0.04 -1.26 -1.11 135.00 141.31 3k6d s PRO 10 Ca -0.03 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.93 3k6d s PRO 10 Cb -0.14 -2.68 0.09 0.00 0.04 0.00 0.00 34.50 31.81 3k6d s PRO 10 CO -0.05 -0.48 1.14 -1.83 0.04 0.00 0.00 177.00 175.82 3k6d s GLU 11 N -2.32 1.67 -1.12 4.56 -1.05 -0.59 -3.89 118.70 115.96 3k6d s GLU 11 Ca 0.58 1.45 -0.00 0.00 -0.15 0.00 0.00 54.97 56.85 3k6d s GLU 11 Cb -0.35 -1.81 0.00 0.00 -0.44 0.00 0.00 34.13 31.53 3k6d s GLU 11 CO 0.45 -2.13 0.04 0.09 0.95 0.00 0.00 175.26 174.66 3k6d n ASN 12 N -3.69 -4.17 -4.71 0.83 3.02 -0.53 -4.91 115.26 101.09 3k6d n ASN 12 Ca 0.11 -0.03 -0.35 0.00 -0.03 0.00 0.00 54.58 54.28 3k6d n ASN 12 Cb 0.52 -3.32 0.10 0.00 -0.61 0.00 0.00 39.78 36.47 3k6d n ASN 12 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k6d s GLN 13 N -4.73 2.03 0.34 3.52 -0.21 -1.25 -4.99 119.66 114.38 3k6d s GLN 13 Ca 0.02 1.87 0.00 0.00 0.02 0.00 0.00 55.36 57.28 3k6d s GLN 13 Cb -0.01 -1.81 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 3k6d s GLN 13 CO 0.03 -1.94 0.54 1.03 -2.12 0.00 0.00 175.29 172.83 3k6d s ARG 14 N -3.83 3.49 0.97 2.91 1.81 -1.26 -4.59 118.95 118.44 3k6d s ARG 14 Ca 0.77 -0.34 -0.13 0.00 -1.72 0.00 0.00 55.73 54.31 3k6d s ARG 14 Cb -0.32 -2.67 0.07 0.00 -0.45 0.00 0.00 34.95 31.58 3k6d s ARG 14 CO 0.46 0.16 0.51 0.44 -0.68 0.00 0.00 175.30 176.19 3k6d n ILE 15 N -1.76 0.00 -3.33 1.52 -5.35 -1.26 -4.72 119.36 104.46 3k6d n ILE 15 Ca -0.05 -0.17 -0.27 0.00 -0.27 0.00 0.00 62.75 61.99 3k6d n ILE 15 Cb 0.56 -0.69 -0.02 0.00 -1.74 0.00 0.00 39.64 37.74 3k6d n ILE 15 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3k6d s PRO 16 N -3.81 3.58 0.12 6.28 0.04 -1.26 -5.19 135.00 134.75 3k6d s PRO 16 Ca 0.59 -0.10 0.10 0.00 0.04 0.00 0.00 61.00 61.62 3k6d s PRO 16 Cb -0.21 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 3k6d s PRO 16 CO 0.66 0.18 -0.22 -0.06 0.04 0.00 0.00 177.00 177.59 3k6d s PHE 17 N -2.18 2.43 0.64 0.56 0.40 -1.26 -4.38 117.98 114.18 3k6d s PHE 17 Ca 0.43 -0.32 -0.13 0.00 -0.60 0.00 0.00 56.93 56.30 3k6d s PHE 17 Cb -0.10 -1.30 -0.02 0.00 0.51 0.00 0.00 43.02 42.10 3k6d s PHE 17 CO 0.33 0.36 1.05 -1.25 0.70 0.00 0.00 175.22 176.40 3k6d s PRO 18 N -2.08 3.21 -0.07 0.24 0.04 -1.26 -5.05 135.00 130.04 3k6d s PRO 18 Ca 0.16 1.03 0.05 0.00 0.04 0.00 0.00 61.00 62.28 3k6d s PRO 18 Cb -0.10 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3k6d s PRO 18 CO 0.08 -0.88 -0.23 0.15 0.04 0.00 0.00 177.00 176.16 3k6d s LYS 19 N -4.62 2.49 0.27 4.56 1.02 -0.68 -4.96 119.74 117.81 3k6d s LYS 19 Ca 0.60 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 3k6d s LYS 19 Cb -0.14 -2.04 -0.10 0.00 -0.52 0.00 0.00 37.83 35.03 3k6d s LYS 19 CO 0.46 0.28 1.29 0.42 -0.92 0.00 0.00 175.35 176.89 3k6d s ILE 20 N 0.05 2.99 0.00 2.17 1.01 -1.26 -1.08 121.20 125.08 3k6d s ILE 20 Ca -0.08 0.91 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3k6d s ILE 20 Cb -0.15 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3k6d s ILE 20 CO 0.05 0.18 0.21 1.33 0.00 0.00 0.00 174.94 176.71 3k6d n VAL 21 N 1.65 0.00 0.00 2.92 0.24 0.85 -4.89 118.33 119.11 3k6d n VAL 21 Ca 0.03 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3k6d n VAL 21 Cb 0.42 1.46 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 3k6d n VAL 21 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k6d n GLY 22 N 0.06 -0.36 2.96 7.63 0.00 -1.15 -4.87 105.19 109.46 3k6d n GLY 22 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 3k6d n GLY 22 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3k6d s ARG 23 N -2.00 0.29 0.08 1.61 1.70 -1.26 0.11 118.95 119.48 3k6d s ARG 23 Ca 0.00 -0.34 -0.24 0.00 -0.47 0.00 0.00 55.73 54.68 3k6d s ARG 23 Cb 0.00 -0.15 -0.06 0.00 -0.57 0.00 0.00 34.95 34.16 3k6d s ARG 23 CO 0.00 0.03 0.73 0.08 -1.08 0.00 0.00 175.30 175.06 3k6d s VAL 24 N -0.62 4.65 -0.02 4.99 1.01 0.28 -4.66 120.40 126.02 3k6d s VAL 24 Ca -0.05 1.57 0.07 0.00 0.00 0.00 0.00 61.98 63.57 3k6d s VAL 24 Cb -0.05 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 3k6d s VAL 24 CO -0.00 0.43 -0.22 -0.69 0.00 0.00 0.00 175.10 174.62 3k6d s VAL 25 N -0.48 1.76 -0.11 2.92 1.01 -0.37 -4.44 120.40 120.70 3k6d s VAL 25 Ca 0.36 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 3k6d s VAL 25 Cb -0.21 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 3k6d s VAL 25 CO 0.23 0.50 -0.16 0.52 0.00 0.00 0.00 175.10 176.19 3k6d n VAL 26 N 2.56 0.81 0.00 2.92 0.31 -1.26 -0.28 118.33 123.39 3k6d n VAL 26 Ca -0.16 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3k6d n VAL 26 Cb 0.52 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 3k6d n VAL 26 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3k6d n SER 27 N -3.63 0.00 -3.56 4.52 2.88 -1.26 -4.56 113.62 108.01 3k6d n SER 27 Ca -0.21 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.92 3k6d n SER 27 Cb 0.59 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3k6d n SER 27 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3k6d n ASP 28 N 3.24 7.33 -4.69 -3.46 5.75 -1.26 -4.95 116.55 118.51 3k6d n ASP 28 Ca 0.00 -3.07 -0.31 0.00 -0.01 0.00 0.00 54.79 51.40 3k6d n ASP 28 Cb 0.00 -1.42 -0.08 0.00 -1.03 0.00 0.00 41.12 38.59 3k6d n ASP 28 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3k6d s ARG 29 N -0.35 2.67 0.16 0.11 3.52 -1.26 -4.69 118.95 119.11 3k6d s ARG 29 Ca 0.52 -0.73 -0.26 0.00 -0.13 0.00 0.00 55.73 55.13 3k6d s ARG 29 Cb 0.16 -2.61 -0.08 0.00 -1.56 0.00 0.00 34.95 30.87 3k6d s ARG 29 CO -0.07 0.58 0.80 0.42 -0.81 0.00 0.00 175.30 176.22 3k6d s ILE 30 N -1.21 4.39 -0.05 4.11 1.09 -1.26 -4.98 121.20 123.28 3k6d s ILE 30 Ca 0.23 1.75 -0.30 0.00 -1.10 0.00 0.00 60.65 61.23 3k6d s ILE 30 Cb -0.12 -4.16 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 3k6d s ILE 30 CO 0.15 0.49 1.24 -2.84 -0.10 0.00 0.00 174.94 173.89 3k6d s PRO 31 N -0.97 4.33 -0.80 2.79 0.02 -1.26 0.12 135.00 139.22 3k6d s PRO 31 Ca 0.37 1.73 0.01 0.00 0.02 0.00 0.00 61.00 63.12 3k6d s PRO 31 Cb -0.23 -3.58 0.20 0.00 0.02 0.00 0.00 34.50 30.91 3k6d s PRO 31 CO 0.27 -0.49 0.65 0.20 -0.33 0.00 0.00 177.00 177.29 3k6d s GLY 32 N 1.59 2.98 0.54 0.52 0.00 -1.26 -5.01 107.32 106.68 3k6d s GLY 32 Ca 0.57 -3.80 -0.18 0.00 0.00 0.00 0.00 44.72 41.32 3k6d s GLY 32 CO 0.22 1.14 1.05 -1.35 0.00 0.00 0.00 173.10 174.16 3k6d s SER 33 N -0.56 6.09 0.24 1.64 1.04 0.32 -4.28 113.70 118.19 3k6d s SER 33 Ca 0.26 1.86 0.10 0.00 0.48 0.00 0.00 55.95 58.66 3k6d s SER 33 Cb -0.07 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 3k6d s SER 33 CO -0.13 -0.95 -0.12 -1.59 0.98 0.00 0.00 173.24 171.42 3k6d s LYS 34 N -3.66 1.93 -0.17 4.02 -2.85 0.19 -4.89 119.74 114.33 3k6d s LYS 34 Ca 0.65 -1.51 -0.06 0.00 -1.00 0.00 0.00 55.97 54.05 3k6d s LYS 34 Cb -0.16 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.58 3k6d s LYS 34 CO 0.28 0.37 0.05 0.42 0.10 0.00 0.00 175.35 176.57 3k6d s ILE 35 N -2.15 4.67 -0.03 3.79 1.01 -0.16 0.14 121.20 128.46 3k6d s ILE 35 Ca 0.28 -0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.92 3k6d s ILE 35 Cb -0.07 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3k6d s ILE 35 CO 0.16 0.48 -0.23 -0.54 0.00 0.00 0.00 174.94 174.81 3k6d s LYS 36 N 0.20 2.24 -0.03 2.79 1.02 0.61 -4.31 119.74 122.26 3k6d s LYS 36 Ca 0.03 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.22 3k6d s LYS 36 Cb -0.12 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 3k6d s LYS 36 CO 0.01 0.56 -0.24 -1.17 -0.92 0.00 0.00 175.35 173.59 3k6d s LEU 37 N -0.60 2.04 0.06 3.17 2.96 -1.26 -1.45 118.68 123.60 3k6d s LEU 37 Ca 0.09 -0.44 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3k6d s LEU 37 Cb -0.10 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3k6d s LEU 37 CO -0.00 0.28 0.09 -0.47 -1.32 0.00 0.00 176.35 174.92 3k6d s TYR 38 N -0.46 0.30 -1.77 5.38 5.04 -0.51 -4.83 117.35 120.51 3k6d s TYR 38 Ca 0.06 -0.75 0.00 0.00 -2.44 0.00 0.00 57.07 53.94 3k6d s TYR 38 Cb -0.10 -0.20 0.00 0.00 0.35 0.00 0.00 41.96 42.01 3k6d s TYR 38 CO 0.00 -0.45 0.00 0.41 -1.34 0.00 0.00 175.55 174.17 3k6d n GLY 39 N 0.17 0.74 3.65 8.97 0.00 -1.26 -1.64 105.19 115.82 3k6d n GLY 39 Ca -0.15 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.26 3k6d n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k6d s LYS 40 N -0.87 4.06 0.00 1.61 -2.85 -1.26 -1.09 119.74 119.33 3k6d s LYS 40 Ca 0.00 2.18 0.00 0.00 -1.00 0.00 0.00 55.97 57.15 3k6d s LYS 40 Cb 0.00 -4.05 0.00 0.00 -2.06 0.00 0.00 37.83 31.72 3k6d s LYS 40 CO 0.00 -1.00 0.00 0.41 0.10 0.00 0.00 175.35 174.86 3k6d n GLY 41 N 4.38 1.60 0.00 0.59 0.00 -0.42 -4.65 105.19 106.69 3k6d n GLY 41 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3k6d n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k6d n VAL 42 N -0.54 0.00 0.45 1.61 0.31 -0.25 -1.18 118.33 118.73 3k6d n VAL 42 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3k6d n VAL 42 Cb 0.00 -0.30 0.14 0.00 -0.91 0.00 0.00 33.84 32.78 3k6d n VAL 42 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k6d n ASP 43 N -0.67 2.95 -4.32 4.52 5.75 -1.04 -0.68 116.55 123.05 3k6d n ASP 43 Ca 0.00 -1.87 -0.25 0.00 -0.01 0.00 0.00 54.79 52.66 3k6d n ASP 43 Cb 0.00 -0.13 -0.12 0.00 -1.03 0.00 0.00 41.12 39.84 3k6d n ASP 43 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3k6d s GLN 44 N -1.43 1.23 0.29 0.11 -0.21 -0.90 -4.94 119.66 113.82 3k6d s GLN 44 Ca 0.29 -1.27 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 3k6d s GLN 44 Cb 0.18 -1.50 -0.12 0.00 1.00 0.00 0.00 33.01 32.56 3k6d s GLN 44 CO 0.25 0.34 1.48 0.39 -2.12 0.00 0.00 175.29 175.63 3k6d n GLU 45 N 0.83 2.40 -2.64 2.91 -0.58 -1.26 -1.30 120.64 121.00 3k6d n GLU 45 Ca -0.17 0.85 -0.42 0.00 -0.42 0.00 0.00 57.16 56.99 3k6d n GLU 45 Cb 0.54 -2.56 -0.03 0.00 -0.57 0.00 0.00 31.44 28.83 3k6d n GLU 45 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3k6d s PRO 46 N -0.84 4.41 0.26 3.49 0.05 -1.26 -4.19 135.00 136.91 3k6d s PRO 46 Ca 0.63 1.44 -0.30 0.00 0.05 0.00 0.00 61.00 62.83 3k6d s PRO 46 Cb -0.55 -3.55 -0.09 0.00 0.05 0.00 0.00 34.50 30.36 3k6d s PRO 46 CO 0.52 -0.34 1.12 0.15 0.05 0.00 0.00 177.00 178.50 3k6d s LYS 47 N 2.06 4.61 -0.00 4.56 1.02 -1.22 -2.14 119.74 128.64 3k6d s LYS 47 Ca 0.50 1.81 0.00 0.00 0.02 0.00 0.00 55.97 58.30 3k6d s LYS 47 Cb -0.19 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 3k6d s LYS 47 CO 0.18 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 3k6d n GLY 48 N 1.42 0.49 0.25 -3.33 0.00 0.14 -4.89 105.19 99.27 3k6d n GLY 48 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3k6d n GLY 48 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3k6d h ILE 49 N 0.00 1.28 -3.88 -0.61 2.04 -1.30 -3.42 117.51 111.62 3k6d h ILE 49 Ca -0.00 -1.50 -0.62 0.00 1.00 0.00 0.00 64.86 63.74 3k6d h ILE 49 Cb 0.02 1.42 -0.22 0.00 -0.74 0.00 0.00 36.82 37.30 3k6d h ILE 49 CO 0.00 0.49 -0.85 -0.36 0.00 0.00 0.00 178.15 177.43 3k6d s PHE 50 N -4.38 2.06 0.20 1.37 0.40 -0.34 -0.91 117.98 116.37 3k6d s PHE 50 Ca -0.09 -0.40 -0.05 0.00 -0.60 0.00 0.00 56.93 55.80 3k6d s PHE 50 Cb 0.12 -1.11 -0.03 0.00 0.51 0.00 0.00 43.02 42.51 3k6d s PHE 50 CO 0.84 0.28 0.22 -1.59 0.70 0.00 0.00 175.22 175.67 3k6d s LYS 51 N -2.02 1.23 0.02 0.44 -2.85 -0.17 -4.62 119.74 111.76 3k6d s LYS 51 Ca 0.11 -1.45 0.03 0.00 -1.00 0.00 0.00 55.97 53.66 3k6d s LYS 51 Cb -0.10 0.33 -0.01 0.00 -2.06 0.00 0.00 37.83 35.99 3k6d s LYS 51 CO 0.05 -0.43 -0.10 -1.50 0.10 0.00 0.00 175.35 173.47 3k6d s ILE 52 N -4.08 0.76 -0.23 3.79 2.07 -1.26 -1.08 121.20 121.17 3k6d s ILE 52 Ca 0.30 -0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 58.57 3k6d s ILE 52 Cb 0.05 -0.69 0.01 0.00 0.13 0.00 0.00 42.46 41.96 3k6d s ILE 52 CO 0.08 0.02 1.08 0.21 -1.91 0.00 0.00 174.94 174.43 3k6d s ASN 53 N -0.73 7.05 0.10 4.50 3.84 0.26 -4.89 114.94 125.08 3k6d s ASN 53 Ca 0.00 1.40 0.20 0.00 0.21 0.00 0.00 52.86 54.67 3k6d s ASN 53 Cb -0.06 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.93 3k6d s ASN 53 CO 0.00 -0.71 1.62 -1.84 -2.79 0.00 0.00 177.10 173.38 3k6d n GLU 54 N 6.44 0.09 -0.10 0.43 0.28 -1.26 -1.05 120.64 125.46 3k6d n GLU 54 Ca 0.12 0.28 -0.15 0.00 -0.16 0.00 0.00 57.16 57.25 3k6d n GLU 54 Cb 0.46 -1.65 -0.05 0.00 1.43 0.00 0.00 31.44 31.62 3k6d n GLU 54 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3k6d n ASN 55 N -1.81 1.92 0.21 -1.84 3.02 -1.26 -0.99 115.26 114.50 3k6d n ASN 55 Ca 0.04 0.39 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 3k6d n ASN 55 Cb 0.23 -0.80 0.24 0.00 -0.61 0.00 0.00 39.78 38.84 3k6d n ASN 55 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3k6d h SER 56 N -1.00 0.00 -0.33 6.41 4.64 -1.96 -3.47 113.55 117.84 3k6d h SER 56 Ca -0.23 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 3k6d h SER 56 Cb 1.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.15 3k6d h SER 56 CO -0.14 0.00 -0.13 0.61 -0.87 0.00 0.00 176.83 176.30 3k6d n GLY 57 N 1.02 0.87 3.73 -0.77 0.00 -0.21 -4.69 105.19 105.14 3k6d n GLY 57 Ca 0.04 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 3k6d n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k6d s GLU 58 N -2.24 4.49 -0.11 1.61 2.02 -1.25 0.98 118.70 124.19 3k6d s GLU 58 Ca 0.00 1.81 -0.04 0.00 0.02 0.00 0.00 54.97 56.76 3k6d s GLU 58 Cb 0.00 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 3k6d s GLU 58 CO 0.00 -0.12 0.06 0.08 0.02 0.00 0.00 175.26 175.29 3k6d s VAL 59 N 0.33 4.79 0.01 2.63 1.01 0.29 -0.57 120.40 128.89 3k6d s VAL 59 Ca 0.54 -0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.51 3k6d s VAL 59 Cb -0.31 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 3k6d s VAL 59 CO 0.33 0.60 -0.14 -0.44 0.00 0.00 0.00 175.10 175.45 3k6d s SER 60 N -0.81 1.68 0.06 3.32 0.01 -0.24 -0.10 113.70 117.62 3k6d s SER 60 Ca 0.13 -0.34 -0.07 0.00 1.31 0.00 0.00 55.95 56.98 3k6d s SER 60 Cb -0.12 -0.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 3k6d s SER 60 CO 0.03 0.12 0.33 0.54 0.41 0.00 0.00 173.24 174.66 3k6d s VAL 61 N -0.54 5.22 -1.15 3.43 0.11 -0.24 -1.00 120.40 126.23 3k6d s VAL 61 Ca 0.04 0.19 0.15 0.00 -2.93 0.00 0.00 61.98 59.44 3k6d s VAL 61 Cb -0.06 -3.60 -0.07 0.00 -1.53 0.00 0.00 36.38 31.12 3k6d s VAL 61 CO 0.00 0.26 0.76 0.35 -3.33 0.00 0.00 175.10 173.15 3k6d n THR 62 N 0.80 0.00 -3.83 5.04 -2.24 -0.09 -1.69 114.28 112.27 3k6d n THR 62 Ca -0.08 -0.26 -0.06 0.00 -2.27 0.00 0.00 64.05 61.38 3k6d n THR 62 Cb 0.52 1.11 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 3k6d n THR 62 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3k6d s LYS 63 N -2.08 1.66 0.30 -0.78 -2.85 -1.26 -4.62 119.74 110.11 3k6d s LYS 63 Ca 0.10 -0.94 -0.29 0.00 -1.00 0.00 0.00 55.97 53.84 3k6d s LYS 63 Cb 0.12 0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 36.34 3k6d s LYS 63 CO 0.48 -0.76 1.16 0.00 0.10 0.00 0.00 175.35 176.33 3k6d s ALA 64 N -3.48 3.41 0.24 0.59 0.00 -1.26 -4.96 121.76 116.29 3k6d s ALA 64 Ca 0.12 1.00 0.07 0.00 0.00 0.00 0.00 51.96 53.15 3k6d s ALA 64 Cb -0.04 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3k6d s ALA 64 CO 0.06 -0.31 0.15 -0.51 0.00 0.00 0.00 175.76 175.15 3k6d s LEU 65 N -1.63 3.71 -0.19 0.00 1.43 -1.26 -4.88 118.68 115.85 3k6d s LEU 65 Ca 0.47 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3k6d s LEU 65 Cb -0.34 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.67 3k6d s LEU 65 CO 0.44 -0.01 -0.12 -0.62 0.23 0.00 0.00 176.35 176.27 3k6d s ASP 66 N -3.66 3.36 0.43 2.29 -1.08 -1.26 -1.46 116.67 115.29 3k6d s ASP 66 Ca 0.32 -0.85 0.09 0.00 -0.52 0.00 0.00 52.55 51.60 3k6d s ASP 66 Cb -0.08 -1.29 0.94 0.00 -1.46 0.00 0.00 42.92 41.03 3k6d s ASP 66 CO 0.24 -0.12 2.06 -0.09 0.52 0.00 0.00 175.17 177.78 3k6d h ARG 67 N 7.96 0.38 -0.07 4.34 2.43 -1.89 -2.21 114.38 125.33 3k6d h ARG 67 Ca -0.31 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.71 3k6d h ARG 67 Cb 1.10 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3k6d h ARG 67 CO 0.50 0.28 -0.50 0.93 -1.51 0.00 0.00 179.97 179.68 3k6d h GLU 68 N 0.39 0.17 0.24 0.20 5.08 -1.96 -3.01 114.58 115.70 3k6d h GLU 68 Ca 0.10 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3k6d h GLU 68 Cb 0.01 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3k6d h GLU 68 CO -0.02 0.64 -0.12 0.00 -1.00 0.00 0.00 179.01 178.51 3k6d h ALA 69 N 1.35 -0.58 -3.25 3.43 0.00 -1.84 -3.45 119.26 114.92 3k6d h ALA 69 Ca 0.00 -0.07 -0.48 0.00 0.00 0.00 0.00 54.91 54.37 3k6d h ALA 69 Cb 0.94 0.12 -0.38 0.00 0.00 0.00 0.00 17.79 18.47 3k6d h ALA 69 CO 0.07 -0.56 -0.77 0.42 0.00 0.00 0.00 179.25 178.41 3k6d s ILE 70 N -2.82 0.57 -1.78 0.00 1.01 -1.06 -5.02 121.20 112.10 3k6d s ILE 70 Ca -0.05 -0.12 0.26 0.00 0.00 0.00 0.00 60.65 60.75 3k6d s ILE 70 Cb 0.00 -0.76 0.28 0.00 0.01 0.00 0.00 42.46 41.99 3k6d s ILE 70 CO 0.14 0.19 1.57 -0.81 0.00 0.00 0.00 174.94 176.03 3k6d n PRO 71 N 5.07 0.87 -3.50 2.79 -0.04 -1.14 -4.43 135.00 134.62 3k6d n PRO 71 Ca -0.09 -0.51 -0.09 0.00 -0.04 0.00 0.00 63.50 62.78 3k6d n PRO 71 Cb 0.49 -1.49 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 3k6d n PRO 71 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3k6d s SER 72 N -2.48 -0.37 0.04 3.54 1.04 -1.26 -1.29 113.70 112.91 3k6d s SER 72 Ca 0.25 -0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.71 3k6d s SER 72 Cb 0.19 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 3k6d s SER 72 CO 0.51 -0.64 -0.11 -0.31 0.98 0.00 0.00 173.24 173.68 3k6d s TYR 73 N -3.15 0.94 -0.19 5.02 1.51 0.70 -4.99 117.35 117.20 3k6d s TYR 73 Ca 0.05 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 3k6d s TYR 73 Cb -0.01 -0.55 0.06 0.00 -0.11 0.00 0.00 41.96 41.34 3k6d s TYR 73 CO -0.09 -0.01 0.03 -1.14 -1.11 0.00 0.00 175.55 173.23 3k6d s GLN 74 N -1.33 0.74 0.38 -0.62 0.74 -1.26 -0.69 119.66 117.62 3k6d s GLN 74 Ca -0.03 -0.45 0.08 0.00 0.05 0.00 0.00 55.36 55.00 3k6d s GLN 74 Cb -0.08 -2.11 -0.03 0.00 1.10 0.00 0.00 33.01 31.88 3k6d s GLN 74 CO 0.01 -0.62 0.26 -0.51 -0.55 0.00 0.00 175.29 173.88 3k6d s LEU 75 N 1.82 3.36 -0.08 3.68 1.43 -0.54 -4.54 118.68 123.81 3k6d s LEU 75 Ca -0.01 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.36 3k6d s LEU 75 Cb -0.17 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 3k6d s LEU 75 CO -0.08 -0.46 -0.14 0.00 0.23 0.00 0.00 176.35 175.90 3k6d s GLN 76 N -3.98 2.85 -0.02 1.70 -2.07 -0.65 -0.29 119.66 117.20 3k6d s GLN 76 Ca 0.42 -0.69 0.06 0.00 -1.82 0.00 0.00 55.36 53.34 3k6d s GLN 76 Cb -0.02 -2.48 -0.01 0.00 -1.09 0.00 0.00 33.01 29.40 3k6d s GLN 76 CO 0.25 0.47 -0.20 0.54 -1.32 0.00 0.00 175.29 175.03 3k6d s VAL 77 N -0.32 1.61 0.26 3.63 0.11 -0.19 -1.42 120.40 124.08 3k6d s VAL 77 Ca 0.03 -0.87 -0.07 0.00 -2.93 0.00 0.00 61.98 58.15 3k6d s VAL 77 Cb -0.13 -1.34 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 3k6d s VAL 77 CO 0.03 0.46 0.38 -1.83 -3.33 0.00 0.00 175.10 170.80 3k6d s GLU 78 N -0.44 1.54 -0.04 1.54 -1.05 -0.53 -1.72 118.70 117.99 3k6d s GLU 78 Ca 0.07 -1.49 0.01 0.00 -0.15 0.00 0.00 54.97 53.41 3k6d s GLU 78 Cb -0.08 0.41 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 3k6d s GLU 78 CO -0.00 -0.61 -0.05 0.95 0.95 0.00 0.00 175.26 176.50 3k6d s THR 79 N -3.82 3.84 0.28 1.83 -4.23 0.36 -0.29 115.64 113.61 3k6d s THR 79 Ca 0.29 -0.54 0.07 0.00 -1.18 0.00 0.00 61.69 60.34 3k6d s THR 79 Cb 0.02 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.18 3k6d s THR 79 CO 0.13 0.52 -0.08 0.42 -0.54 0.00 0.00 174.62 175.07 3k6d s THR 80 N -0.91 1.74 0.88 3.99 -4.23 0.12 -1.21 115.64 116.02 3k6d s THR 80 Ca 0.15 -2.15 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 3k6d s THR 80 Cb -0.11 -2.42 0.16 0.00 1.34 0.00 0.00 72.50 71.47 3k6d s THR 80 CO 0.04 -0.33 1.23 -1.81 -0.54 0.00 0.00 174.62 173.22 3k6d s ASP 81 N -3.45 3.66 0.66 3.99 1.11 -0.64 -0.64 116.67 121.37 3k6d s ASP 81 Ca 0.29 0.30 0.19 0.00 0.18 0.00 0.00 52.55 53.51 3k6d s ASP 81 Cb 0.03 -0.52 1.03 0.00 1.07 0.00 0.00 42.92 44.52 3k6d s ASP 81 CO 0.12 -2.38 1.58 -0.08 1.18 0.00 0.00 175.17 175.59 3k6d h GLU 82 N -1.31 0.00 -0.55 8.23 4.22 -1.91 0.41 114.58 123.66 3k6d h GLU 82 Ca -0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.00 3k6d h GLU 82 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3k6d h GLU 82 CO 0.45 0.00 0.00 0.09 -2.18 0.00 0.00 179.01 177.37 3k6d n ASN 83 N -2.74 4.81 0.00 1.04 3.02 -1.26 -4.91 115.26 115.22 3k6d n ASN 83 Ca -0.01 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 3k6d n ASN 83 Cb 0.61 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3k6d n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k6d n GLY 84 N 0.71 0.25 3.74 7.41 0.00 0.14 -4.95 105.19 112.49 3k6d n GLY 84 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3k6d n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3k6d s LYS 85 N -0.91 4.42 0.19 1.61 2.20 -1.26 -4.75 119.74 121.25 3k6d s LYS 85 Ca 0.00 2.01 -0.31 0.00 -0.36 0.00 0.00 55.97 57.31 3k6d s LYS 85 Cb 0.00 -3.20 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 3k6d s LYS 85 CO 0.00 -0.20 1.53 0.99 -0.36 0.00 0.00 175.35 177.31 3k6d s THR 86 N -0.03 2.62 -0.06 3.43 2.01 -1.26 -1.62 115.64 120.73 3k6d s THR 86 Ca 0.55 0.47 -0.08 0.00 0.31 0.00 0.00 61.69 62.94 3k6d s THR 86 Cb -0.36 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 3k6d s THR 86 CO 0.39 0.05 -0.16 -0.38 -0.69 0.00 0.00 174.62 173.83 3k6d n ILE 87 N 3.44 0.91 -5.16 1.82 5.41 -0.35 -4.90 119.36 120.54 3k6d n ILE 87 Ca 0.12 0.27 -0.31 0.00 1.00 0.00 0.00 62.75 63.82 3k6d n ILE 87 Cb 0.39 -1.84 -0.15 0.00 -0.71 0.00 0.00 39.64 37.32 3k6d n ILE 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3k6d s GLU 88 N -2.05 2.08 0.00 0.38 -1.05 -1.20 -5.00 118.70 111.86 3k6d s GLU 88 Ca -0.13 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 3k6d s GLU 88 Cb 0.02 -2.07 0.00 0.00 -0.44 0.00 0.00 34.13 31.64 3k6d s GLU 88 CO 0.19 0.56 0.00 0.41 0.95 0.00 0.00 175.26 177.37 3k6d n GLY 89 N 2.25 3.52 4.00 -3.83 0.00 -1.26 -0.48 105.19 109.39 3k6d n GLY 89 Ca -0.16 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 43.84 3k6d n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k6d s PRO 90 N -3.21 2.74 0.01 1.61 0.04 -1.26 -5.03 135.00 129.89 3k6d s PRO 90 Ca 0.00 -1.17 -0.01 0.00 0.04 0.00 0.00 61.00 59.86 3k6d s PRO 90 Cb 0.00 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 3k6d s PRO 90 CO 0.00 -0.39 0.00 0.14 0.04 0.00 0.00 177.00 176.79 3k6d s VAL 91 N -2.45 0.06 0.38 -0.36 -7.23 -0.70 -4.94 120.40 105.16 3k6d s VAL 91 Ca 0.56 -0.51 -0.26 0.00 -1.81 0.00 0.00 61.98 59.96 3k6d s VAL 91 Cb -0.10 -0.18 -0.09 0.00 0.56 0.00 0.00 36.38 36.58 3k6d s VAL 91 CO 0.34 -0.28 1.23 -1.81 -0.31 0.00 0.00 175.10 174.27 3k6d s ASP 92 N -0.83 6.56 -0.27 4.85 1.01 -1.26 -1.02 116.67 125.72 3k6d s ASP 92 Ca -0.09 2.49 0.02 0.00 0.71 0.00 0.00 52.55 55.68 3k6d s ASP 92 Cb -0.06 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.30 3k6d s ASP 92 CO -0.00 -0.66 -0.09 -0.22 0.21 0.00 0.00 175.17 174.41 3k6d s LEU 93 N -2.27 3.51 -0.09 1.23 2.96 0.61 -4.75 118.68 119.87 3k6d s LEU 93 Ca 0.55 -1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 3k6d s LEU 93 Cb -0.35 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 3k6d s LEU 93 CO 0.44 -0.20 0.28 -1.61 -1.32 0.00 0.00 176.35 173.95 3k6d s GLU 94 N 1.14 3.88 -0.15 1.98 2.02 -1.26 -1.47 118.70 124.84 3k6d s GLU 94 Ca -0.08 0.13 0.01 0.00 0.02 0.00 0.00 54.97 55.05 3k6d s GLU 94 Cb -0.20 -3.28 0.02 0.00 0.10 0.00 0.00 34.13 30.78 3k6d s GLU 94 CO -0.04 0.57 -0.16 0.42 0.02 0.00 0.00 175.26 176.07 3k6d s ILE 95 N -0.56 1.68 -0.19 -1.63 1.01 0.13 -1.55 121.20 120.10 3k6d s ILE 95 Ca 0.18 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.07 3k6d s ILE 95 Cb -0.14 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3k6d s ILE 95 CO 0.07 0.48 0.01 -0.22 0.00 0.00 0.00 174.94 175.28 3k6d s LEU 96 N 1.40 3.40 -0.34 2.97 2.96 -0.15 -0.21 118.68 128.69 3k6d s LEU 96 Ca 0.04 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 3k6d s LEU 96 Cb -0.13 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3k6d s LEU 96 CO -0.10 0.11 0.52 -0.69 -1.32 0.00 0.00 176.35 174.87 3k6d s VAL 97 N 0.76 5.01 0.20 1.68 1.01 -0.41 -0.87 120.40 127.77 3k6d s VAL 97 Ca 0.01 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.41 3k6d s VAL 97 Cb -0.14 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3k6d s VAL 97 CO 0.02 -0.20 0.35 0.27 0.00 0.00 0.00 175.10 175.55 3k6d s ILE 98 N 2.42 5.26 -2.00 2.22 -4.36 -0.26 -4.82 121.20 119.64 3k6d s ILE 98 Ca 0.19 -0.61 0.02 0.00 -0.26 0.00 0.00 60.65 59.99 3k6d s ILE 98 Cb -0.15 -3.77 0.06 0.00 1.25 0.00 0.00 42.46 39.84 3k6d s ILE 98 CO 0.13 -0.20 0.61 -0.67 0.24 0.00 0.00 174.94 175.05