#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1x s LYS 2 N 0.00 3.18 0.95 1.97 -2.85 -1.26 -5.12 119.74 116.60 3k1x s LYS 2 Ca 0.00 -0.50 -0.11 0.00 -1.00 0.00 0.00 55.97 54.36 3k1x s LYS 2 Cb 0.00 -2.91 0.16 0.00 -2.06 0.00 0.00 37.83 33.02 3k1x s LYS 2 CO 0.00 0.62 1.09 -2.14 0.10 0.00 0.00 175.35 175.02 3k1x s PRO 3 N -2.14 0.83 0.06 1.78 0.02 -1.26 -4.94 135.00 129.34 3k1x s PRO 3 Ca 0.28 0.96 0.02 0.00 0.02 0.00 0.00 61.00 62.28 3k1x s PRO 3 Cb -0.12 -1.75 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 3k1x s PRO 3 CO 0.20 -2.58 -0.07 0.15 -0.33 0.00 0.00 177.00 174.38 3k1x s LYS 4 N -4.79 0.61 0.12 5.54 1.02 -0.12 -4.16 119.74 117.95 3k1x s LYS 4 Ca 0.65 -0.94 0.03 0.00 0.02 0.00 0.00 55.97 55.73 3k1x s LYS 4 Cb -0.20 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 3k1x s LYS 4 CO 0.59 0.01 0.14 -0.51 -0.92 0.00 0.00 175.35 174.66 3k1x s LEU 5 N -2.07 3.92 -0.20 3.17 1.43 -0.66 -0.83 118.68 123.44 3k1x s LEU 5 Ca -0.03 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3k1x s LEU 5 Cb -0.05 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.65 3k1x s LEU 5 CO -0.02 0.12 -0.17 -0.76 0.23 0.00 0.00 176.35 175.76 3k1x s LEU 6 N -2.77 2.53 -0.24 1.79 1.43 -1.26 -0.76 118.68 119.40 3k1x s LEU 6 Ca 0.31 -0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 52.51 3k1x s LEU 6 Cb -0.11 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3k1x s LEU 6 CO 0.24 -0.05 0.03 -0.47 0.23 0.00 0.00 176.35 176.33 3k1x s TYR 7 N 1.25 3.05 -0.19 0.29 5.04 0.48 -0.97 117.35 126.30 3k1x s TYR 7 Ca 0.01 -0.67 -0.20 0.00 -2.44 0.00 0.00 57.07 53.77 3k1x s TYR 7 Cb -0.15 -2.19 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 3k1x s TYR 7 CO -0.10 -0.45 0.59 0.00 -1.34 0.00 0.00 175.55 174.25 3k1x h SER 9 N 7.43 -1.14 -0.72 0.00 0.02 -1.72 0.76 113.55 118.17 3k1x h SER 9 Ca -0.33 0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 3k1x h SER 9 Cb 1.15 0.60 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 3k1x h SER 9 CO 0.76 -0.29 0.49 0.21 -1.14 0.00 0.00 176.83 176.86 3k1x s ASN 10 N -5.22 4.16 0.00 3.07 2.47 -1.23 -3.07 114.94 115.11 3k1x s ASN 10 Ca -0.14 0.23 0.00 0.00 0.42 0.00 0.00 52.86 53.37 3k1x s ASN 10 Cb 0.18 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 3k1x s ASN 10 CO 0.71 -3.52 0.00 0.61 -3.72 0.00 0.00 177.10 171.18 3k1x n GLY 11 N 6.60 2.70 1.83 1.21 0.00 -1.26 -4.38 105.19 111.88 3k1x n GLY 11 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 3k1x n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1x n GLY 12 N -2.00 0.71 3.67 -0.02 0.00 0.23 -5.01 105.19 102.78 3k1x n GLY 12 Ca 0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 3k1x n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1x s HIS 13 N -3.01 3.17 0.12 1.61 3.76 -1.01 -4.45 115.29 115.48 3k1x s HIS 13 Ca 0.09 0.17 -0.31 0.00 -0.15 0.00 0.00 55.06 54.85 3k1x s HIS 13 Cb -0.04 -1.82 -0.08 0.00 1.11 0.00 0.00 32.58 31.75 3k1x s HIS 13 CO 0.11 0.43 1.44 -0.06 -0.85 0.00 0.00 174.74 175.80 3k1x s PHE 14 N -0.74 3.17 0.22 1.40 0.08 0.84 0.26 117.98 123.21 3k1x s PHE 14 Ca 0.12 0.86 -0.31 0.00 0.12 0.00 0.00 56.93 57.72 3k1x s PHE 14 Cb -0.12 -3.74 -0.10 0.00 -0.57 0.00 0.00 43.02 38.49 3k1x s PHE 14 CO 0.02 -2.65 1.48 -1.17 -0.10 0.00 0.00 175.22 172.80 3k1x s LEU 15 N 1.19 4.38 -0.05 -0.37 2.96 -0.14 -0.39 118.68 126.27 3k1x s LEU 15 Ca 0.66 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 57.22 3k1x s LEU 15 Cb -0.38 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.72 3k1x s LEU 15 CO 0.30 -0.74 -0.02 -0.60 -1.32 0.00 0.00 176.35 173.97 3k1x s ARG 16 N 0.14 0.65 -0.50 1.98 3.52 0.15 -4.27 118.95 120.62 3k1x s ARG 16 Ca 0.63 -0.01 -0.08 0.00 -0.13 0.00 0.00 55.73 56.14 3k1x s ARG 16 Cb -0.42 -0.79 0.13 0.00 -1.56 0.00 0.00 34.95 32.31 3k1x s ARG 16 CO 0.39 -0.15 0.36 0.42 -0.81 0.00 0.00 175.30 175.51 3k1x s ILE 17 N 1.19 4.08 0.54 4.11 1.01 -1.01 -1.54 121.20 129.59 3k1x s ILE 17 Ca -0.07 -2.00 -0.19 0.00 0.00 0.00 0.00 60.65 58.38 3k1x s ILE 17 Cb -0.14 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 3k1x s ILE 17 CO -0.02 -0.79 1.12 -0.76 0.00 0.00 0.00 174.94 174.50 3k1x s LEU 18 N 1.10 3.74 0.25 2.97 1.43 -0.32 -4.85 118.68 122.99 3k1x s LEU 18 Ca 0.08 2.15 0.15 0.00 -1.03 0.00 0.00 54.13 55.47 3k1x s LEU 18 Cb -0.24 -4.58 0.80 0.00 0.03 0.00 0.00 46.19 42.20 3k1x s LEU 18 CO -0.02 -1.20 1.41 -2.65 0.23 0.00 0.00 176.35 174.12 3k1x n PRO 19 N -1.33 0.10 -0.01 1.29 -0.02 -1.26 -0.30 135.00 133.47 3k1x n PRO 19 Ca 0.11 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.30 3k1x n PRO 19 Cb 0.51 -1.90 0.22 0.00 -0.02 0.00 0.00 33.50 32.31 3k1x n PRO 19 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3k1x n ASP 20 N -2.02 2.58 0.00 2.55 5.75 -1.26 -4.93 116.55 119.22 3k1x n ASP 20 Ca -0.01 -1.86 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 3k1x n ASP 20 Cb 0.11 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3k1x n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1x n GLY 21 N 1.30 0.65 3.71 6.12 0.00 0.59 -4.93 105.19 112.64 3k1x n GLY 21 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3k1x n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1x s THR 22 N -2.43 3.33 -0.18 2.61 2.01 -1.24 -1.25 115.64 118.49 3k1x s THR 22 Ca 0.00 0.94 -0.03 0.00 0.31 0.00 0.00 61.69 62.91 3k1x s THR 22 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 3k1x s THR 22 CO 0.00 0.07 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.26 3k1x s VAL 23 N 1.17 3.61 0.00 3.82 1.01 -1.26 -1.18 120.40 127.57 3k1x s VAL 23 Ca 0.65 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3k1x s VAL 23 Cb -0.37 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3k1x s VAL 23 CO 0.30 0.46 0.00 -0.90 0.00 0.00 0.00 175.10 174.96 3k1x n ASP 24 N 4.06 0.00 -4.21 3.32 5.75 -0.59 -4.38 116.55 120.50 3k1x n ASP 24 Ca -0.18 -0.36 -0.23 0.00 -0.01 0.00 0.00 54.79 54.01 3k1x n ASP 24 Cb 0.52 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.47 3k1x n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3k1x s GLY 25 N -0.36 0.99 0.05 6.12 0.00 0.45 -0.68 107.32 113.89 3k1x s GLY 25 Ca 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.83 3k1x s GLY 25 CO 0.00 -0.91 -0.20 -1.08 0.00 0.00 0.00 173.10 170.91 3k1x s THR 26 N -0.81 1.64 -1.75 0.90 -1.32 0.48 -4.82 115.64 109.95 3k1x s THR 26 Ca 0.05 -1.20 0.30 0.00 -1.21 0.00 0.00 61.69 59.63 3k1x s THR 26 Cb -0.08 -1.43 0.66 0.00 -1.51 0.00 0.00 72.50 70.13 3k1x s THR 26 CO 0.02 0.18 2.06 0.54 -2.21 0.00 0.00 174.62 175.21 3k1x n ARG 27 N 1.82 0.77 -2.97 7.08 1.74 -1.26 -0.11 116.66 123.73 3k1x n ARG 27 Ca -0.17 -0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 3k1x n ARG 27 Cb 0.53 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 3k1x n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k1x s ASP 28 N -2.30 6.65 0.08 0.55 -1.08 -1.26 -4.89 116.67 114.42 3k1x s ASP 28 Ca 0.36 0.66 0.26 0.00 -0.52 0.00 0.00 52.55 53.32 3k1x s ASP 28 Cb 0.21 -2.40 1.02 0.00 -1.46 0.00 0.00 42.92 40.29 3k1x s ASP 28 CO 0.42 -0.58 1.81 0.54 0.52 0.00 0.00 175.17 177.89 3k1x n ARG 29 N 6.12 0.09 0.01 4.34 3.00 -1.26 -3.31 116.66 125.65 3k1x n ARG 29 Ca 0.03 0.12 0.11 0.00 -0.01 0.00 0.00 57.85 58.10 3k1x n ARG 29 Cb 0.48 -1.62 -0.03 0.00 0.00 0.00 0.00 32.46 31.29 3k1x n ARG 29 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3k1x n SER 30 N -1.78 0.69 -4.61 0.55 3.41 -1.26 -4.94 113.62 105.68 3k1x n SER 30 Ca 0.06 -0.53 -0.55 0.00 -0.26 0.00 0.00 58.87 57.59 3k1x n SER 30 Cb 0.34 0.96 -0.07 0.00 -0.26 0.00 0.00 64.21 65.19 3k1x n SER 30 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3k1x n ASP 31 N -1.74 1.59 0.00 4.04 4.64 -1.21 -4.86 116.55 119.01 3k1x n ASP 31 Ca 0.03 1.12 0.13 0.00 -1.38 0.00 0.00 54.79 54.68 3k1x n ASP 31 Cb 0.39 -1.13 0.64 0.00 -1.04 0.00 0.00 41.12 39.99 3k1x n ASP 31 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3k1x n GLN 32 N 3.11 0.36 -0.00 -0.67 1.13 -1.26 -3.63 117.38 116.41 3k1x n GLN 32 Ca 0.21 0.04 0.11 0.00 -1.94 0.00 0.00 57.00 55.42 3k1x n GLN 32 Cb 0.15 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 29.09 3k1x n GLN 32 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3k1x n HIS 33 N -1.29 0.00 0.99 1.08 8.25 -1.26 -4.12 115.22 118.87 3k1x n HIS 33 Ca 0.12 -0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.69 3k1x n HIS 33 Cb 0.21 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.33 3k1x n HIS 33 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3k1x n ILE 34 N 1.21 0.00 -2.48 1.59 -5.35 -1.24 -2.39 119.36 110.70 3k1x n ILE 34 Ca 0.13 -0.30 -0.43 0.00 -0.27 0.00 0.00 62.75 61.88 3k1x n ILE 34 Cb 0.54 1.29 -0.02 0.00 -1.74 0.00 0.00 39.64 39.71 3k1x n ILE 34 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3k1x s GLN 35 N -2.38 4.18 0.15 6.28 -0.21 -1.26 -4.45 119.66 121.96 3k1x s GLN 35 Ca 0.20 1.50 0.09 0.00 0.02 0.00 0.00 55.36 57.16 3k1x s GLN 35 Cb 0.18 -3.76 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 3k1x s GLN 35 CO 0.53 -0.77 -0.20 -0.51 -2.12 0.00 0.00 175.29 172.22 3k1x s LEU 36 N 3.59 2.40 -0.06 2.90 1.43 -0.01 -1.63 118.68 127.30 3k1x s LEU 36 Ca 0.52 -0.81 0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3k1x s LEU 36 Cb -0.19 -0.90 -0.00 0.00 0.03 0.00 0.00 46.19 45.12 3k1x s LEU 36 CO 0.14 0.02 -0.21 -1.58 0.23 0.00 0.00 176.35 174.95 3k1x s GLN 37 N -2.53 2.23 -0.18 1.70 0.74 0.13 -0.95 119.66 120.80 3k1x s GLN 37 Ca 0.14 -0.75 -0.05 0.00 0.05 0.00 0.00 55.36 54.75 3k1x s GLN 37 Cb -0.07 -1.87 -0.03 0.00 1.10 0.00 0.00 33.01 32.13 3k1x s GLN 37 CO 0.06 0.28 0.01 -0.51 -0.55 0.00 0.00 175.29 174.58 3k1x s LEU 38 N 0.03 3.45 -0.05 3.68 1.02 -1.26 -1.03 118.68 124.51 3k1x s LEU 38 Ca -0.06 -0.08 0.04 0.00 0.02 0.00 0.00 54.13 54.05 3k1x s LEU 38 Cb -0.13 -1.86 -0.00 0.00 0.02 0.00 0.00 46.19 44.22 3k1x s LEU 38 CO 0.04 0.14 -0.17 -0.94 0.02 0.00 0.00 176.35 175.44 3k1x s SER 39 N 0.54 2.15 -0.08 2.29 1.04 -0.75 -4.93 113.70 113.96 3k1x s SER 39 Ca -0.00 -0.36 -0.30 0.00 0.48 0.00 0.00 55.95 55.77 3k1x s SER 39 Cb -0.14 -0.69 -0.03 0.00 0.10 0.00 0.00 66.02 65.26 3k1x s SER 39 CO 0.02 0.13 1.26 0.00 0.98 0.00 0.00 173.24 175.63 3k1x s ALA 40 N 0.16 3.56 -0.55 5.32 0.00 -1.26 -0.88 121.76 128.12 3k1x s ALA 40 Ca -0.07 0.61 0.11 0.00 0.00 0.00 0.00 51.96 52.61 3k1x s ALA 40 Cb -0.13 -3.57 0.62 0.00 0.00 0.00 0.00 23.12 20.04 3k1x s ALA 40 CO 0.03 -0.93 1.45 0.39 0.00 0.00 0.00 175.76 176.69 3k1x n GLU 41 N 5.74 3.85 0.00 0.00 -0.58 -1.11 -4.98 120.64 123.56 3k1x n GLU 41 Ca 0.12 -2.37 0.00 0.00 -0.42 0.00 0.00 57.16 54.49 3k1x n GLU 41 Cb 0.45 -2.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 3k1x n GLU 41 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3k1x n SER 42 N 0.53 0.00 -4.68 1.62 7.64 -1.26 -4.99 113.62 112.49 3k1x n SER 42 Ca 0.21 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.67 3k1x n SER 42 Cb 0.93 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.11 3k1x n SER 42 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3k1x s VAL 43 N -2.02 3.69 0.00 0.44 -7.23 -1.26 -3.51 120.40 110.51 3k1x s VAL 43 Ca 0.00 0.99 0.00 0.00 -1.81 0.00 0.00 61.98 61.16 3k1x s VAL 43 Cb 0.00 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.30 3k1x s VAL 43 CO 0.00 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3k1x n GLY 44 N 3.80 1.07 3.78 2.32 0.00 -1.26 -4.98 105.19 109.92 3k1x n GLY 44 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3k1x n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1x s GLU 45 N -0.21 4.00 0.19 1.61 2.02 -1.23 -0.75 118.70 124.32 3k1x s GLU 45 Ca 0.00 0.06 0.05 0.00 0.02 0.00 0.00 54.97 55.10 3k1x s GLU 45 Cb 0.00 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 3k1x s GLU 45 CO 0.00 0.45 -0.07 0.14 0.02 0.00 0.00 175.26 175.80 3k1x s VAL 46 N -0.17 1.23 0.03 2.63 -7.23 0.44 -2.75 120.40 114.58 3k1x s VAL 46 Ca 0.16 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.29 3k1x s VAL 46 Cb -0.13 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3k1x s VAL 46 CO 0.05 -0.56 -0.05 -0.31 -0.31 0.00 0.00 175.10 173.92 3k1x s TYR 47 N -3.29 2.92 -0.32 2.82 2.02 -0.05 -1.57 117.35 119.88 3k1x s TYR 47 Ca 0.22 -0.03 -0.03 0.00 -0.37 0.00 0.00 57.07 56.87 3k1x s TYR 47 Cb 0.03 -1.59 0.05 0.00 -0.40 0.00 0.00 41.96 40.05 3k1x s TYR 47 CO 0.05 0.41 0.04 0.42 -1.57 0.00 0.00 175.55 174.90 3k1x s ILE 48 N -1.09 3.15 -0.07 2.71 1.01 -1.26 -1.81 121.20 123.84 3k1x s ILE 48 Ca 0.19 -1.41 0.03 0.00 0.00 0.00 0.00 60.65 59.47 3k1x s ILE 48 Cb -0.11 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3k1x s ILE 48 CO 0.10 -0.18 -0.17 -0.75 0.00 0.00 0.00 174.94 173.94 3k1x s LYS 49 N 1.27 2.74 -0.10 2.79 2.20 -0.20 -0.93 119.74 127.52 3k1x s LYS 49 Ca -0.03 -0.75 -0.29 0.00 -0.36 0.00 0.00 55.97 54.53 3k1x s LYS 49 Cb -0.20 -2.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.69 3k1x s LYS 49 CO -0.01 0.45 1.71 0.45 -0.36 0.00 0.00 175.35 177.59 3k1x s SER 50 N -0.29 6.51 0.55 1.43 0.15 0.92 0.19 113.70 123.16 3k1x s SER 50 Ca 0.01 2.11 0.33 0.00 0.70 0.00 0.00 55.95 59.10 3k1x s SER 50 Cb -0.13 -2.53 1.53 0.00 -1.71 0.00 0.00 66.02 63.18 3k1x s SER 50 CO 0.03 -1.08 2.06 0.71 1.20 0.00 0.00 173.24 176.15 3k1x h THR 51 N 5.81 0.20 0.00 6.45 1.35 -1.62 -0.93 112.91 124.17 3k1x h THR 51 Ca -0.39 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 64.96 3k1x h THR 51 Cb 1.18 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3k1x h THR 51 CO 0.96 0.06 -0.00 -0.08 -0.25 0.00 0.00 175.52 176.21 3k1x h GLU 52 N 0.00 -0.00 0.00 4.72 4.57 -1.80 -3.41 114.58 118.66 3k1x h GLU 52 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3k1x h GLU 52 Cb 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.00 3k1x h GLU 52 CO 0.01 0.85 -1.13 0.25 -1.18 0.00 0.00 179.01 177.80 3k1x n THR 53 N -4.68 0.00 -0.57 0.32 -2.24 -1.25 -5.01 114.28 100.85 3k1x n THR 53 Ca -0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3k1x n THR 53 Cb 0.41 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3k1x n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1x n GLY 54 N 1.50 1.16 3.79 3.38 0.00 -0.35 -5.03 105.19 109.63 3k1x n GLY 54 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3k1x n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1x s GLN 55 N -0.26 2.63 -0.10 1.61 -0.21 -1.26 -4.71 119.66 117.36 3k1x s GLN 55 Ca 0.00 1.15 0.03 0.00 0.02 0.00 0.00 55.36 56.56 3k1x s GLN 55 Cb 0.00 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 32.07 3k1x s GLN 55 CO 0.00 -1.35 -0.22 0.71 -2.12 0.00 0.00 175.29 172.31 3k1x s TYR 56 N -2.81 2.42 0.53 0.91 1.51 -0.07 -0.05 117.35 119.79 3k1x s TYR 56 Ca 0.61 -1.03 -0.22 0.00 -1.01 0.00 0.00 57.07 55.42 3k1x s TYR 56 Cb -0.17 -1.64 -0.05 0.00 -0.11 0.00 0.00 41.96 39.99 3k1x s TYR 56 CO 0.52 -0.44 1.39 -0.11 -1.11 0.00 0.00 175.55 175.79 3k1x n LEU 57 N 3.67 5.53 -3.66 -1.29 7.94 -0.10 -0.25 117.00 128.84 3k1x n LEU 57 Ca -0.20 1.01 -0.10 0.00 -1.11 0.00 0.00 56.01 55.61 3k1x n LEU 57 Cb 0.53 -1.59 -0.05 0.00 0.53 0.00 0.00 43.42 42.84 3k1x n LEU 57 CO 0.27 -0.47 0.16 0.00 -1.11 0.00 0.00 177.39 176.25 3k1x s ALA 58 N -1.27 -0.90 -0.09 1.96 0.00 -0.11 -4.25 121.76 117.10 3k1x s ALA 58 Ca 0.70 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.57 3k1x s ALA 58 Cb -0.42 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.43 3k1x s ALA 58 CO 0.51 -0.66 -0.11 1.41 0.00 0.00 0.00 175.76 176.91 3k1x s MET 59 N -3.82 1.71 0.92 0.00 1.75 0.17 -1.45 119.30 118.57 3k1x s MET 59 Ca 0.04 -0.37 -0.11 0.00 -1.25 0.00 0.00 55.69 54.00 3k1x s MET 59 Cb 0.02 -1.56 0.20 0.00 2.84 0.00 0.00 34.83 36.32 3k1x s MET 59 CO -0.11 -0.12 1.25 -0.40 -0.65 0.00 0.00 175.02 174.99 3k1x n ASP 60 N 4.37 0.53 0.00 1.11 5.68 -0.08 -4.82 116.55 123.35 3k1x n ASP 60 Ca -0.18 -1.72 0.08 0.00 -0.50 0.00 0.00 54.79 52.47 3k1x n ASP 60 Cb 0.51 -0.91 0.42 0.00 -1.14 0.00 0.00 41.12 39.99 3k1x n ASP 60 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3k1x n THR 61 N -3.55 0.43 0.22 2.12 -2.24 -1.26 0.61 114.28 110.60 3k1x n THR 61 Ca 0.17 0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 3k1x n THR 61 Cb 0.60 -0.85 0.22 0.00 -2.10 0.00 0.00 70.33 68.20 3k1x n THR 61 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k1x n ASP 62 N -1.22 3.51 -0.01 3.42 8.00 -1.26 -4.98 116.55 124.01 3k1x n ASP 62 Ca 0.09 -1.99 -0.00 0.00 0.71 0.00 0.00 54.79 53.60 3k1x n ASP 62 Cb 0.11 -0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 3k1x n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k1x n GLY 63 N 1.49 0.43 3.78 0.44 0.00 0.20 -4.67 105.19 106.87 3k1x n GLY 63 Ca 0.20 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 3k1x n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1x s LEU 64 N -0.03 4.30 0.20 0.99 1.43 -1.26 -0.15 118.68 124.15 3k1x s LEU 64 Ca 0.00 0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 3k1x s LEU 64 Cb 0.00 -2.19 -0.08 0.00 0.03 0.00 0.00 46.19 43.94 3k1x s LEU 64 CO 0.00 0.24 1.20 -0.76 0.23 0.00 0.00 176.35 177.26 3k1x s LEU 65 N -0.16 4.46 0.18 1.79 1.43 -1.26 -0.90 118.68 124.22 3k1x s LEU 65 Ca 0.14 2.26 -0.10 0.00 -1.03 0.00 0.00 54.13 55.39 3k1x s LEU 65 Cb -0.12 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 3k1x s LEU 65 CO 0.03 -0.36 0.33 -0.72 0.23 0.00 0.00 176.35 175.85 3k1x s TYR 66 N -0.17 0.37 -0.15 0.29 -0.85 -0.53 -4.34 117.35 111.97 3k1x s TYR 66 Ca 0.52 -0.72 -0.06 0.00 -0.52 0.00 0.00 57.07 56.29 3k1x s TYR 66 Cb -0.33 0.00 -0.04 0.00 0.38 0.00 0.00 41.96 41.98 3k1x s TYR 66 CO 0.37 -0.77 0.06 0.20 -1.52 0.00 0.00 175.55 173.89 3k1x s GLY 67 N -2.97 1.92 -0.08 5.49 0.00 -0.38 -0.94 107.32 110.36 3k1x s GLY 67 Ca 0.18 -0.74 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3k1x s GLY 67 CO 0.01 -0.13 -0.10 -0.45 0.00 0.00 0.00 173.10 172.44 3k1x s SER 68 N -0.06 4.34 0.37 1.64 0.15 0.66 -4.52 113.70 116.28 3k1x s SER 68 Ca 0.06 -0.15 0.13 0.00 0.70 0.00 0.00 55.95 56.70 3k1x s SER 68 Cb -0.12 -1.21 0.72 0.00 -1.71 0.00 0.00 66.02 63.69 3k1x s SER 68 CO 0.01 0.30 1.82 1.56 1.20 0.00 0.00 173.24 178.13 3k1x h GLN 69 N 5.72 0.00 -6.80 5.44 1.08 -1.91 -0.14 115.11 118.49 3k1x h GLN 69 Ca -0.42 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.10 3k1x h GLN 69 Cb 1.18 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.40 3k1x h GLN 69 CO 0.53 0.38 -0.84 0.99 -0.95 0.00 0.00 178.83 178.95 3k1x s THR 70 N -4.12 2.54 0.38 -0.54 2.01 -1.26 -4.76 115.64 109.89 3k1x s THR 70 Ca -0.03 -1.60 -0.27 0.00 0.31 0.00 0.00 61.69 60.11 3k1x s THR 70 Cb 0.14 -2.13 -0.09 0.00 0.01 0.00 0.00 72.50 70.42 3k1x s THR 70 CO 0.72 0.12 1.31 -2.16 -0.69 0.00 0.00 174.62 173.92 3k1x s PRO 71 N -2.02 4.11 0.22 4.92 0.04 -1.26 -4.83 135.00 136.19 3k1x s PRO 71 Ca 0.16 2.19 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 3k1x s PRO 71 Cb -0.10 -2.88 0.01 0.00 0.04 0.00 0.00 34.50 31.57 3k1x s PRO 71 CO 0.08 -0.39 0.33 0.27 0.04 0.00 0.00 177.00 177.33 3k1x n ASN 72 N 0.38 -0.93 0.31 6.66 2.04 -1.26 -5.02 115.26 117.43 3k1x n ASN 72 Ca 0.02 -2.16 0.19 0.00 -0.44 0.00 0.00 54.58 52.19 3k1x n ASN 72 Cb 0.43 1.70 0.96 0.00 -2.53 0.00 0.00 39.78 40.34 3k1x n ASN 72 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3k1x h GLU 73 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -1.83 114.58 111.04 3k1x h GLU 73 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3k1x h GLU 73 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3k1x h GLU 73 CO 0.24 0.02 0.00 0.39 0.07 0.00 0.00 179.01 179.73 3k1x n GLU 74 N -3.24 0.45 0.00 1.06 1.02 -1.26 -3.87 120.64 114.80 3k1x n GLU 74 Ca -0.02 0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.22 3k1x n GLU 74 Cb 0.17 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 3k1x n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3k1x s LEU 76 N -2.41 4.35 0.02 0.00 2.96 -1.25 -4.33 118.68 118.02 3k1x s LEU 76 Ca 0.13 1.28 0.05 0.00 -0.22 0.00 0.00 54.13 55.37 3k1x s LEU 76 Cb 0.15 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.67 3k1x s LEU 76 CO 0.55 -0.09 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.98 3k1x s PHE 77 N 0.60 1.34 -0.22 5.38 0.08 -0.61 -1.86 117.98 122.69 3k1x s PHE 77 Ca 0.39 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.86 3k1x s PHE 77 Cb -0.19 -0.83 -0.00 0.00 -0.57 0.00 0.00 43.02 41.44 3k1x s PHE 77 CO 0.20 0.02 0.92 -0.51 -0.10 0.00 0.00 175.22 175.75 3k1x s LEU 78 N -0.76 4.11 -0.13 -0.37 1.43 0.23 -0.42 118.68 122.77 3k1x s LEU 78 Ca 0.04 1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 54.22 3k1x s LEU 78 Cb -0.07 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.75 3k1x s LEU 78 CO 0.00 -0.55 0.34 -0.70 0.23 0.00 0.00 176.35 175.67 3k1x s GLU 79 N 2.82 4.20 -0.02 1.70 2.12 0.07 -1.38 118.70 128.22 3k1x s GLU 79 Ca 0.40 0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.96 3k1x s GLU 79 Cb -0.16 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 3k1x s GLU 79 CO 0.08 0.29 -0.10 1.03 -0.54 0.00 0.00 175.26 176.03 3k1x s ARG 80 N 0.26 0.97 -0.30 4.30 1.81 -0.64 -4.90 118.95 120.46 3k1x s ARG 80 Ca 0.19 -0.35 -0.21 0.00 -1.72 0.00 0.00 55.73 53.64 3k1x s ARG 80 Cb -0.14 -0.91 -0.01 0.00 -0.45 0.00 0.00 34.95 33.44 3k1x s ARG 80 CO 0.06 0.17 0.65 -1.17 -0.68 0.00 0.00 175.30 174.33 3k1x s LEU 81 N 0.01 4.13 0.00 2.53 0.20 -1.26 -1.24 118.68 123.04 3k1x s LEU 81 Ca -0.00 0.49 0.01 0.00 0.69 0.00 0.00 54.13 55.31 3k1x s LEU 81 Cb -0.07 -2.86 0.06 0.00 -0.43 0.00 0.00 46.19 42.89 3k1x s LEU 81 CO 0.00 -0.49 0.41 -1.84 -0.29 0.00 0.00 176.35 174.14 3k1x n GLU 82 N 5.91 0.39 -0.23 1.98 -0.00 0.90 -4.94 120.64 124.65 3k1x n GLU 82 Ca -0.00 -1.17 0.03 0.00 -0.00 0.00 0.00 57.16 56.02 3k1x n GLU 82 Cb 0.49 -0.26 0.13 0.00 -0.00 0.00 0.00 31.44 31.80 3k1x n GLU 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3k1x h GLU 83 N 0.00 0.10 -0.80 3.44 5.08 -1.98 -1.99 114.58 118.43 3k1x h GLU 83 Ca -0.14 -0.01 -0.19 0.00 -1.00 0.00 0.00 59.36 58.03 3k1x h GLU 83 Cb 0.52 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 3k1x h GLU 83 CO 0.15 0.07 0.24 0.09 -1.00 0.00 0.00 179.01 178.56 3k1x n ASN 84 N -5.32 4.45 -0.20 1.42 4.13 -1.26 -4.88 115.26 113.60 3k1x n ASN 84 Ca 0.11 -3.04 -0.03 0.00 1.68 0.00 0.00 54.58 53.31 3k1x n ASN 84 Cb 0.41 -0.71 -0.01 0.00 -1.54 0.00 0.00 39.78 37.93 3k1x n ASN 84 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3k1x n HIS 85 N -0.08 0.00 -1.34 3.10 8.25 -0.75 -5.04 115.22 119.36 3k1x n HIS 85 Ca 0.35 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.50 3k1x n HIS 85 Cb 1.25 -1.48 0.08 0.00 1.12 0.00 0.00 29.99 30.96 3k1x n HIS 85 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3k1x s TYR 86 N -1.60 2.66 -0.09 4.41 2.02 -1.26 -4.74 117.35 118.75 3k1x s TYR 86 Ca 0.00 1.54 -0.04 0.00 -0.37 0.00 0.00 57.07 58.20 3k1x s TYR 86 Cb 0.00 -3.03 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 3k1x s TYR 86 CO 0.00 -1.71 0.07 -0.80 -1.57 0.00 0.00 175.55 171.55 3k1x s ASN 87 N -3.39 5.79 0.24 2.29 0.01 -0.03 -0.07 114.94 119.79 3k1x s ASN 87 Ca 0.61 0.29 0.10 0.00 -0.71 0.00 0.00 52.86 53.15 3k1x s ASN 87 Cb -0.17 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 39.69 3k1x s ASN 87 CO 0.55 0.38 -0.06 0.42 -1.51 0.00 0.00 177.10 176.88 3k1x s THR 88 N -0.98 3.23 -0.10 1.60 -4.23 -0.37 -1.82 115.64 112.98 3k1x s THR 88 Ca 0.15 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3k1x s THR 88 Cb -0.12 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3k1x s THR 88 CO 0.04 -0.30 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.43 3k1x s TYR 89 N -2.16 1.44 -0.08 3.99 1.51 -1.26 -1.61 117.35 119.18 3k1x s TYR 89 Ca 0.29 -0.67 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 3k1x s TYR 89 Cb -0.07 -1.17 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 3k1x s TYR 89 CO 0.18 -0.45 -0.14 0.42 -1.11 0.00 0.00 175.55 174.45 3k1x s ILE 90 N 1.47 3.07 -0.14 2.71 1.01 -0.48 -1.49 121.20 127.36 3k1x s ILE 90 Ca 0.00 -0.70 -0.37 0.00 0.00 0.00 0.00 60.65 59.58 3k1x s ILE 90 Cb -0.13 -2.23 -0.14 0.00 0.01 0.00 0.00 42.46 39.96 3k1x s ILE 90 CO -0.05 0.57 1.73 -0.24 0.00 0.00 0.00 174.94 176.94 3k1x n SER 91 N 2.72 2.70 -0.11 3.58 2.88 -0.13 0.75 113.62 126.02 3k1x n SER 91 Ca -0.18 1.05 -0.10 0.00 -1.33 0.00 0.00 58.87 58.31 3k1x n SER 91 Cb 0.52 -1.25 -0.02 0.00 -0.75 0.00 0.00 64.21 62.72 3k1x n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3k1x h LYS 92 N 7.45 0.51 -0.69 -1.46 3.64 -1.69 -0.21 116.57 124.11 3k1x h LYS 92 Ca -0.47 -0.11 0.11 0.00 -1.27 0.00 0.00 60.65 58.91 3k1x h LYS 92 Cb 1.30 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 3k1x h LYS 92 CO 0.93 0.55 0.30 -0.22 -2.27 0.00 0.00 179.45 178.73 3k1x h LYS 93 N 0.37 0.47 -0.78 1.90 3.64 -1.79 -2.06 116.57 118.33 3k1x h LYS 93 Ca 0.11 -0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.13 3k1x h LYS 93 Cb 0.25 -0.11 -0.19 0.00 -0.41 0.00 0.00 32.23 31.77 3k1x h LYS 93 CO -0.00 0.31 0.37 0.72 -2.27 0.00 0.00 179.45 178.58 3k1x n HIS 94 N -4.95 2.48 -0.27 1.91 8.25 -1.13 -4.71 115.22 116.80 3k1x n HIS 94 Ca 0.11 -1.50 0.04 0.00 -0.26 0.00 0.00 57.72 56.11 3k1x n HIS 94 Cb 0.32 -0.76 0.18 0.00 1.12 0.00 0.00 29.99 30.85 3k1x n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1x h ALA 95 N 1.75 1.12 0.00 -1.41 0.00 -0.28 0.08 119.26 120.53 3k1x h ALA 95 Ca 0.40 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 3k1x h ALA 95 Cb 2.44 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.22 3k1x h ALA 95 CO 0.83 -0.09 -0.08 1.49 0.00 0.00 0.00 179.25 181.40 3k1x h GLU 96 N 0.59 0.00 0.00 0.00 4.57 -1.84 -1.75 114.58 116.14 3k1x h GLU 96 Ca 0.41 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.59 3k1x h GLU 96 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3k1x h GLU 96 CO -0.33 0.08 -0.59 1.63 -1.18 0.00 0.00 179.01 178.62 3k1x n LYS 97 N -3.62 0.05 -3.02 1.92 5.02 0.00 -4.97 118.16 113.53 3k1x n LYS 97 Ca -0.02 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 3k1x n LYS 97 Cb 0.20 -1.52 0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3k1x n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3k1x n ASN 98 N -1.59 -2.87 -4.56 4.39 5.03 -0.66 -4.97 115.26 110.02 3k1x n ASN 98 Ca 0.05 -0.39 -0.41 0.00 0.87 0.00 0.00 54.58 54.70 3k1x n ASN 98 Cb 0.35 -3.52 -0.08 0.00 -1.02 0.00 0.00 39.78 35.52 3k1x n ASN 98 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3k1x s TRP 99 N -3.23 3.18 0.16 3.10 0.52 -1.25 -4.75 118.94 116.67 3k1x s TRP 99 Ca 0.11 0.24 0.03 0.00 0.02 0.00 0.00 56.10 56.50 3k1x s TRP 99 Cb -0.05 -2.96 -0.03 0.00 -1.15 0.00 0.00 33.47 29.27 3k1x s TRP 99 CO 0.48 -0.55 0.28 -0.06 0.02 0.00 0.00 176.95 177.12 3k1x s PHE 100 N 2.46 3.46 0.15 -1.98 0.40 -1.26 -0.96 117.98 120.25 3k1x s PHE 100 Ca 0.20 0.10 -0.31 0.00 -0.60 0.00 0.00 56.93 56.32 3k1x s PHE 100 Cb -0.15 -1.65 -0.11 0.00 0.51 0.00 0.00 43.02 41.62 3k1x s PHE 100 CO 0.13 0.51 1.80 0.08 0.70 0.00 0.00 175.22 178.44 3k1x s VAL 101 N -1.76 2.41 -0.03 -0.44 1.01 -0.55 -4.28 120.40 116.76 3k1x s VAL 101 Ca 0.34 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 3k1x s VAL 101 Cb -0.11 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.28 3k1x s VAL 101 CO 0.28 0.00 0.49 -0.83 0.00 0.00 0.00 175.10 175.04 3k1x s GLY 102 N 2.29 -0.36 -0.19 4.51 0.00 -1.26 -4.37 107.32 107.94 3k1x s GLY 102 Ca 0.79 0.79 0.00 0.00 0.00 0.00 0.00 44.72 46.30 3k1x s GLY 102 CO 0.35 0.51 -0.17 1.08 0.00 0.00 0.00 173.10 174.87 3k1x s LEU 103 N -1.29 2.32 1.05 0.66 1.43 -0.59 -0.85 118.68 121.40 3k1x s LEU 103 Ca -0.12 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.17 3k1x s LEU 103 Cb -0.03 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3k1x s LEU 103 CO 0.07 -0.01 -0.36 0.29 0.23 0.00 0.00 176.35 176.57 3k1x n LYS 104 N 4.65 -0.80 0.06 1.70 5.02 0.92 -4.52 118.16 125.19 3k1x n LYS 104 Ca -0.20 -0.22 0.04 0.00 -2.02 0.00 0.00 58.31 55.91 3k1x n LYS 104 Cb 0.50 -1.50 0.45 0.00 -0.02 0.00 0.00 35.03 34.46 3k1x n LYS 104 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3k1x h LYS 105 N -1.61 0.41 0.00 1.97 3.64 -1.87 -2.49 116.57 116.62 3k1x h LYS 105 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3k1x h LYS 105 Cb 1.35 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3k1x h LYS 105 CO 0.32 0.32 0.00 0.27 -2.27 0.00 0.00 179.45 178.08 3k1x n ASN 106 N -4.45 0.00 0.00 4.20 0.23 -1.26 -4.59 115.26 109.39 3k1x n ASN 106 Ca 0.01 -1.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.90 3k1x n ASN 106 Cb 0.10 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.80 3k1x n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3k1x n GLY 107 N 0.84 0.76 3.90 4.83 0.00 -0.94 -4.99 105.19 109.59 3k1x n GLY 107 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3k1x n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1x s SER 108 N -2.36 6.20 0.39 1.61 1.04 -1.26 -0.41 113.70 118.90 3k1x s SER 108 Ca 0.00 0.19 -0.27 0.00 0.48 0.00 0.00 55.95 56.35 3k1x s SER 108 Cb 0.00 -1.86 -0.11 0.00 0.10 0.00 0.00 66.02 64.16 3k1x s SER 108 CO 0.00 0.14 1.42 0.00 0.98 0.00 0.00 173.24 175.78 3k1x s LYS 110 N -2.14 4.25 0.17 0.00 2.20 -0.03 -4.62 119.74 119.57 3k1x s LYS 110 Ca 0.56 1.10 -0.25 0.00 -0.36 0.00 0.00 55.97 57.01 3k1x s LYS 110 Cb -0.49 -2.30 -0.08 0.00 -1.51 0.00 0.00 37.83 33.45 3k1x s LYS 110 CO 0.62 0.04 0.77 1.03 -0.36 0.00 0.00 175.35 177.45 3k1x s ARG 111 N -2.99 4.57 0.27 4.03 0.52 -1.26 -4.63 118.95 119.45 3k1x s ARG 111 Ca 0.59 1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 56.92 3k1x s ARG 111 Cb -0.10 -3.26 0.53 0.00 0.52 0.00 0.00 34.95 32.63 3k1x s ARG 111 CO 0.15 0.57 1.46 0.41 0.02 0.00 0.00 175.30 177.91 3k1x n GLY 112 N 1.59 -1.46 0.32 -3.53 0.00 0.78 -0.08 105.19 102.81 3k1x n GLY 112 Ca -0.06 0.97 0.17 0.00 0.00 0.00 0.00 46.02 47.10 3k1x n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k1x h PRO 113 N 0.00 0.00 -0.56 1.61 0.11 -1.84 -1.86 132.00 129.46 3k1x h PRO 113 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3k1x h PRO 113 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3k1x h PRO 113 CO -0.93 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 177.40 3k1x n ARG 114 N -3.67 3.00 -2.80 1.05 5.12 0.88 -4.96 116.66 115.29 3k1x n ARG 114 Ca -0.01 -2.52 -0.32 0.00 -1.93 0.00 0.00 57.85 53.06 3k1x n ARG 114 Cb 0.17 -1.55 -0.05 0.00 -1.16 0.00 0.00 32.46 29.87 3k1x n ARG 114 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3k1x s THR 115 N -1.29 4.57 -0.03 0.55 -4.23 -0.70 -4.91 115.64 109.61 3k1x s THR 115 Ca 0.41 1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 61.88 3k1x s THR 115 Cb 0.23 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.44 3k1x s THR 115 CO 0.24 -0.42 0.34 -2.28 -0.54 0.00 0.00 174.62 171.96 3k1x s HIS 116 N -2.28 -0.23 0.20 3.99 5.04 -1.26 -4.88 115.29 115.85 3k1x s HIS 116 Ca 0.57 0.40 -0.32 0.00 -1.54 0.00 0.00 55.06 54.17 3k1x s HIS 116 Cb -0.10 0.12 -0.15 0.00 0.04 0.00 0.00 32.58 32.49 3k1x s HIS 116 CO 0.22 -0.38 1.09 0.66 -2.34 0.00 0.00 174.74 173.99 3k1x n TYR 117 N 1.42 1.19 0.00 3.88 4.01 -1.26 -1.85 117.16 124.55 3k1x n TYR 117 Ca -0.21 0.70 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 3k1x n TYR 117 Cb 0.56 -2.25 0.00 0.00 -0.31 0.00 0.00 39.34 37.34 3k1x n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1x n GLY 118 N 1.83 3.41 3.74 2.72 0.00 -1.26 -5.05 105.19 110.58 3k1x n GLY 118 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3k1x n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1x s GLN 119 N -0.89 4.51 0.44 1.61 -0.21 -0.77 -4.91 119.66 119.44 3k1x s GLN 119 Ca 0.00 1.87 0.15 0.00 0.02 0.00 0.00 55.36 57.41 3k1x s GLN 119 Cb 0.00 -3.23 1.00 0.00 1.00 0.00 0.00 33.01 31.78 3k1x s GLN 119 CO 0.00 -0.04 1.97 -0.22 -2.12 0.00 0.00 175.29 174.88 3k1x h LYS 120 N 4.97 0.00 -0.76 2.91 3.64 -1.97 -3.01 116.57 122.35 3k1x h LYS 120 Ca -0.45 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.15 3k1x h LYS 120 Cb 1.21 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 3k1x h LYS 120 CO 0.73 0.21 0.55 0.00 -2.27 0.00 0.00 179.45 178.67 3k1x h ALA 121 N 1.79 2.71 -0.02 5.00 0.00 -1.91 -2.10 119.26 124.74 3k1x h ALA 121 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k1x h ALA 121 Cb 0.38 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k1x h ALA 121 CO 0.03 -0.94 0.00 0.44 0.00 0.00 0.00 179.25 178.78 3k1x n ILE 122 N -4.29 0.00 -3.52 0.00 -5.35 -1.14 -1.55 119.36 103.52 3k1x n ILE 122 Ca 0.15 -0.27 -0.39 0.00 -0.27 0.00 0.00 62.75 61.97 3k1x n ILE 122 Cb 0.83 0.59 -0.10 0.00 -1.74 0.00 0.00 39.64 39.22 3k1x n ILE 122 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3k1x s LEU 123 N -1.99 4.08 -0.03 7.28 1.43 -0.79 -4.48 118.68 124.18 3k1x s LEU 123 Ca 0.37 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 3k1x s LEU 123 Cb 0.21 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3k1x s LEU 123 CO 0.33 -0.12 -0.25 -0.36 0.23 0.00 0.00 176.35 176.18 3k1x s PHE 124 N 1.86 2.37 -0.20 0.29 0.40 -0.75 -2.52 117.98 119.43 3k1x s PHE 124 Ca 0.10 -0.47 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3k1x s PHE 124 Cb -0.16 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.82 3k1x s PHE 124 CO 0.11 -0.05 0.03 -1.17 0.70 0.00 0.00 175.22 174.83 3k1x s LEU 125 N -0.54 3.41 0.00 -0.37 2.96 -0.11 -0.85 118.68 123.18 3k1x s LEU 125 Ca 0.08 -0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.55 3k1x s LEU 125 Cb -0.11 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 3k1x s LEU 125 CO -0.00 0.07 1.31 -2.84 -1.32 0.00 0.00 176.35 173.57 3k1x s PRO 126 N 0.96 4.33 0.15 0.98 0.02 -1.26 -0.39 135.00 139.79 3k1x s PRO 126 Ca 0.02 1.85 0.09 0.00 0.02 0.00 0.00 61.00 62.98 3k1x s PRO 126 Cb -0.14 -3.51 -0.04 0.00 0.02 0.00 0.00 34.50 30.83 3k1x s PRO 126 CO 0.02 -0.47 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.51 3k1x s LEU 127 N 2.03 2.40 0.80 -5.54 1.02 0.06 -4.96 118.68 114.49 3k1x s LEU 127 Ca 0.61 -0.82 -0.11 0.00 0.02 0.00 0.00 54.13 53.82 3k1x s LEU 127 Cb -0.29 -0.90 0.07 0.00 0.02 0.00 0.00 46.19 45.09 3k1x s LEU 127 CO 0.26 0.01 1.09 -2.16 0.02 0.00 0.00 176.35 175.57 3k1x s PRO 128 N -2.56 2.09 0.00 1.29 0.04 -1.26 -1.66 135.00 132.95 3k1x s PRO 128 Ca 0.14 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3k1x s PRO 128 Cb -0.07 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3k1x s PRO 128 CO 0.06 -1.66 0.00 1.55 0.04 0.00 0.00 177.00 177.00 3k1x n VAL 129 N -3.48 0.00 0.00 -0.36 3.14 -1.26 -4.61 118.33 111.76 3k1x n VAL 129 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 3k1x n VAL 129 Cb 0.55 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.33 3k1x n VAL 129 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17