#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kt8 s GLU 2 N 0.00 4.40 0.05 0.00 2.02 -1.26 -4.93 118.70 118.97 2kt8 s GLU 2 Ca 0.00 2.05 0.01 0.00 0.02 0.00 0.00 54.97 57.05 2kt8 s GLU 2 Cb 0.00 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 2kt8 s GLU 2 CO 0.00 -0.09 -0.06 0.15 0.02 0.00 0.00 175.26 175.28 2kt8 s LYS 3 N -1.76 0.55 -0.18 1.61 1.02 -1.03 -4.82 119.74 115.13 2kt8 s LYS 3 Ca 0.49 -0.90 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 2kt8 s LYS 3 Cb -0.36 -0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 36.83 2kt8 s LYS 3 CO 0.48 -0.01 -0.12 0.95 -0.92 0.00 0.00 175.35 175.73 2kt8 s THR 4 N -2.17 2.86 -0.14 2.17 -4.23 -1.19 0.50 115.64 113.44 2kt8 s THR 4 Ca -0.05 -0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 59.64 2kt8 s THR 4 Cb -0.05 -2.24 -0.05 0.00 1.34 0.00 0.00 72.50 71.50 2kt8 s THR 4 CO -0.02 0.49 0.30 -0.83 -0.54 0.00 0.00 174.62 174.01 2kt8 s GLY 5 N 1.07 2.23 -0.09 3.99 0.00 -1.03 -2.34 107.32 111.15 2kt8 s GLY 5 Ca -0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 2kt8 s GLY 5 CO -0.03 0.37 0.97 -0.42 0.00 0.00 0.00 173.10 173.99 2kt8 s ILE 6 N 0.26 4.82 0.06 0.90 1.09 -1.08 -2.34 121.20 124.92 2kt8 s ILE 6 Ca 0.17 1.97 -0.29 0.00 -1.10 0.00 0.00 60.65 61.40 2kt8 s ILE 6 Cb -0.13 -4.28 -0.05 0.00 -1.06 0.00 0.00 42.46 36.94 2kt8 s ILE 6 CO 0.05 0.05 0.94 -0.69 -0.10 0.00 0.00 174.94 175.19 2kt8 s VAL 7 N 1.76 4.67 -0.28 2.92 1.01 -0.86 -2.30 120.40 127.33 2kt8 s VAL 7 Ca 0.47 2.01 -0.01 0.00 0.00 0.00 0.00 61.98 64.46 2kt8 s VAL 7 Cb -0.19 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 31.98 2kt8 s VAL 7 CO 0.19 0.26 0.06 0.21 0.00 0.00 0.00 175.10 175.83 2kt8 s ASN 8 N 0.39 3.80 0.08 3.32 3.84 0.23 -0.63 114.94 125.97 2kt8 s ASN 8 Ca 0.48 -1.43 0.02 0.00 0.21 0.00 0.00 52.86 52.14 2kt8 s ASN 8 Cb -0.22 -0.88 -0.04 0.00 -0.55 0.00 0.00 41.25 39.57 2kt8 s ASN 8 CO 0.28 -0.37 -0.07 0.68 -2.79 0.00 0.00 177.10 174.83 2kt8 s VAL 9 N 1.61 0.69 -0.94 -5.21 -7.23 -1.26 -4.71 120.40 103.35 2kt8 s VAL 9 Ca 0.06 -1.65 0.27 0.00 -1.81 0.00 0.00 61.98 58.85 2kt8 s VAL 9 Cb -0.17 -1.33 0.16 0.00 0.56 0.00 0.00 36.38 35.60 2kt8 s VAL 9 CO -0.18 -0.69 1.71 -1.54 -0.31 0.00 0.00 175.10 174.09 2kt8 n SER 10 N 0.48 0.30 0.00 4.85 3.41 -1.26 -4.69 113.62 116.70 2kt8 n SER 10 Ca -0.16 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2kt8 n SER 10 Cb 0.59 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2kt8 n SER 10 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kt8 n SER 11 N -1.64 0.00 -3.67 4.04 3.41 -1.26 -5.14 113.62 109.36 2kt8 n SER 11 Ca 0.06 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.58 2kt8 n SER 11 Cb 0.36 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2kt8 n SER 11 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kt8 s SER 12 N -2.50 -0.37 -0.12 4.04 1.04 -1.26 -4.53 113.70 110.00 2kt8 s SER 12 Ca 0.00 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2kt8 s SER 12 Cb 0.00 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 2kt8 s SER 12 CO 0.00 -1.13 -0.13 -0.22 0.98 0.00 0.00 173.24 172.74 2kt8 s LEU 13 N -2.85 2.75 0.16 2.42 2.96 -0.91 -4.91 118.68 118.30 2kt8 s LEU 13 Ca 0.07 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.56 2kt8 s LEU 13 Cb -0.03 -1.61 -0.07 0.00 0.50 0.00 0.00 46.19 44.98 2kt8 s LEU 13 CO -0.03 0.19 0.52 0.20 -1.32 0.00 0.00 176.35 175.92 2kt8 s ASN 14 N 0.19 6.74 -0.19 3.68 0.01 -1.26 -0.31 114.94 123.79 2kt8 s ASN 14 Ca -0.07 0.98 -0.11 0.00 -0.71 0.00 0.00 52.86 52.95 2kt8 s ASN 14 Cb -0.15 -2.25 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 2kt8 s ASN 14 CO 0.05 0.06 0.16 -0.69 -1.51 0.00 0.00 177.10 175.17 2kt8 s VAL 15 N -1.55 5.39 -0.09 1.60 1.01 -0.70 -4.90 120.40 121.16 2kt8 s VAL 15 Ca 0.40 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2kt8 s VAL 15 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2kt8 s VAL 15 CO 0.20 0.43 -0.08 -0.13 0.00 0.00 0.00 175.10 175.52 2kt8 s ARG 16 N 0.37 2.98 0.06 2.72 0.52 -0.92 -3.24 118.95 121.44 2kt8 s ARG 16 Ca 0.10 -0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 54.68 2kt8 s ARG 16 Cb -0.11 -2.64 -0.29 0.00 0.52 0.00 0.00 34.95 32.43 2kt8 s ARG 16 CO -0.01 0.53 1.08 0.93 0.02 0.00 0.00 175.30 177.85 2kt8 h GLU 17 N 5.71 0.31 -6.88 3.54 4.39 -1.77 0.32 114.58 120.20 2kt8 h GLU 17 Ca -0.42 -0.52 -0.47 0.00 0.34 0.00 0.00 59.36 58.28 2kt8 h GLU 17 Cb 1.18 0.19 0.06 0.00 -0.10 0.00 0.00 28.75 30.08 2kt8 h GLU 17 CO 0.55 1.24 -0.00 0.20 -1.16 0.00 0.00 179.01 179.83 2kt8 s GLY 18 N -4.69 1.76 0.00 -3.84 0.00 -1.26 -4.67 107.32 94.62 2kt8 s GLY 18 Ca -0.05 -1.87 0.24 0.00 0.00 0.00 0.00 44.72 43.04 2kt8 s GLY 18 CO 0.89 -1.38 1.28 0.00 0.00 0.00 0.00 173.10 173.89 2kt8 n ALA 19 N -2.52 3.45 -2.18 3.20 0.00 -1.26 -4.71 120.51 116.49 2kt8 n ALA 19 Ca 0.14 -0.53 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 2kt8 n ALA 19 Cb 0.61 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 2kt8 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kt8 s SER 20 N -2.54 6.58 0.13 0.00 0.15 -1.26 -4.94 113.70 111.82 2kt8 s SER 20 Ca 0.20 1.16 -0.16 0.00 0.70 0.00 0.00 55.95 57.85 2kt8 s SER 20 Cb 0.18 -2.33 -0.00 0.00 -1.71 0.00 0.00 66.02 62.16 2kt8 s SER 20 CO 0.58 -0.35 1.67 0.74 1.20 0.00 0.00 173.24 177.07 2kt8 h THR 21 N 1.29 1.21 0.00 6.45 2.02 -2.04 -1.57 112.91 120.27 2kt8 h THR 21 Ca -0.47 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2kt8 h THR 21 Cb 1.18 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.48 2kt8 h THR 21 CO 0.64 0.24 0.00 -1.54 0.37 0.00 0.00 175.52 175.23 2kt8 n SER 22 N -4.61 0.51 -4.75 4.18 3.41 -1.26 -4.84 113.62 106.26 2kt8 n SER 22 Ca -0.00 -1.31 -0.36 0.00 -0.26 0.00 0.00 58.87 56.93 2kt8 n SER 22 Cb 0.16 -0.26 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2kt8 n SER 22 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2kt8 s SER 23 N -0.56 5.24 0.38 4.04 0.01 -0.59 -4.96 113.70 117.26 2kt8 s SER 23 Ca 0.00 2.45 -0.26 0.00 1.31 0.00 0.00 55.95 59.45 2kt8 s SER 23 Cb 0.00 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 2kt8 s SER 23 CO 0.00 -1.56 1.17 -1.59 0.41 0.00 0.00 173.24 171.66 2kt8 s LYS 24 N -3.22 4.13 -0.17 12.44 -2.85 -1.26 -4.84 119.74 123.97 2kt8 s LYS 24 Ca 0.76 1.85 -0.07 0.00 -1.00 0.00 0.00 55.97 57.50 2kt8 s LYS 24 Cb -0.32 -2.74 -0.04 0.00 -2.06 0.00 0.00 37.83 32.67 2kt8 s LYS 24 CO 0.35 -0.25 0.07 0.08 0.10 0.00 0.00 175.35 175.70 2kt8 s VAL 25 N -1.39 4.88 -1.67 1.79 1.01 -1.26 -2.56 120.40 121.20 2kt8 s VAL 25 Ca 0.55 -0.01 0.22 0.00 0.00 0.00 0.00 61.98 62.75 2kt8 s VAL 25 Cb -0.31 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 2kt8 s VAL 25 CO 0.39 0.48 1.07 2.30 0.00 0.00 0.00 175.10 179.34 2kt8 n ILE 26 N 3.33 0.00 -3.57 2.22 -5.35 -1.20 -5.03 119.36 109.77 2kt8 n ILE 26 Ca -0.17 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2kt8 n ILE 26 Cb 0.52 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.51 2kt8 n ILE 26 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kt8 n GLY 27 N 1.44 -0.52 3.53 3.28 0.00 -1.26 -5.05 105.19 106.61 2kt8 n GLY 27 Ca 0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 2kt8 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kt8 s SER 28 N -4.00 -0.14 0.13 1.61 0.01 -1.26 -1.73 113.70 108.33 2kt8 s SER 28 Ca 0.00 -0.73 0.07 0.00 1.31 0.00 0.00 55.95 56.60 2kt8 s SER 28 Cb 0.00 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 2kt8 s SER 28 CO 0.00 -1.07 -0.17 -0.76 0.41 0.00 0.00 173.24 171.65 2kt8 s LEU 29 N -2.95 2.39 0.77 2.44 1.43 0.58 -4.90 118.68 118.44 2kt8 s LEU 29 Ca 0.16 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.35 2kt8 s LEU 29 Cb -0.00 -0.70 0.05 0.00 0.03 0.00 0.00 46.19 45.57 2kt8 s LEU 29 CO 0.03 -0.07 1.08 -0.94 0.23 0.00 0.00 176.35 176.68 2kt8 s SER 30 N -2.41 4.69 0.87 2.29 1.04 -1.26 -2.13 113.70 116.79 2kt8 s SER 30 Ca 0.10 1.55 -0.11 0.00 0.48 0.00 0.00 55.95 57.97 2kt8 s SER 30 Cb -0.06 -2.32 0.12 0.00 0.10 0.00 0.00 66.02 63.85 2kt8 s SER 30 CO 0.04 -1.88 1.09 -0.83 0.98 0.00 0.00 173.24 172.65 2kt8 s GLY 31 N -3.70 1.63 0.00 7.32 0.00 -1.26 -2.98 107.32 108.33 2kt8 s GLY 31 Ca 0.60 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.37 2kt8 s GLY 31 CO 0.55 0.50 0.00 -2.01 0.00 0.00 0.00 173.10 172.14 2kt8 n ASN 32 N -3.84 0.00 -4.74 1.64 2.85 0.20 -4.91 115.26 106.46 2kt8 n ASN 32 Ca 0.08 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.13 2kt8 n ASN 32 Cb 0.54 -0.80 -0.03 0.00 1.24 0.00 0.00 39.78 40.73 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kt8 s THR 33 N -1.04 3.01 0.11 -0.44 2.01 -1.16 -4.45 115.64 113.68 2kt8 s THR 33 Ca 0.00 0.81 -0.09 0.00 0.31 0.00 0.00 61.69 62.72 2kt8 s THR 33 Cb 0.00 -3.52 -0.06 0.00 0.01 0.00 0.00 72.50 68.93 2kt8 s THR 33 CO 0.00 0.11 0.42 -1.59 -0.69 0.00 0.00 174.62 172.87 2kt8 s LYS 34 N 0.05 3.75 -0.08 4.92 -2.85 -1.26 -2.02 119.74 122.25 2kt8 s LYS 34 Ca 0.59 0.16 0.04 0.00 -1.00 0.00 0.00 55.97 55.76 2kt8 s LYS 34 Cb -0.39 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.46 2kt8 s LYS 34 CO 0.38 0.51 -0.20 0.14 0.10 0.00 0.00 175.35 176.28 2kt8 s VAL 35 N -1.50 1.76 0.12 1.79 -7.23 -0.99 -4.94 120.40 109.41 2kt8 s VAL 35 Ca 0.36 -0.86 -0.31 0.00 -1.81 0.00 0.00 61.98 59.36 2kt8 s VAL 35 Cb -0.13 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.19 2kt8 s VAL 35 CO 0.20 0.49 1.52 -0.89 -0.31 0.00 0.00 175.10 176.11 2kt8 s THR 36 N 0.30 2.95 -0.18 5.32 2.01 -1.26 -2.48 115.64 122.31 2kt8 s THR 36 Ca -0.14 0.63 -0.05 0.00 0.31 0.00 0.00 61.69 62.44 2kt8 s THR 36 Cb -0.16 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2kt8 s THR 36 CO 0.06 0.04 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.39 2kt8 s ILE 37 N 1.47 4.06 -1.18 1.82 1.01 0.18 -2.65 121.20 125.91 2kt8 s ILE 37 Ca 0.69 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 61.15 2kt8 s ILE 37 Cb -0.40 -2.81 0.06 0.00 0.01 0.00 0.00 42.46 39.32 2kt8 s ILE 37 CO 0.31 0.46 0.77 1.33 0.00 0.00 0.00 174.94 177.81 2kt8 n VAL 38 N 3.82 0.00 -1.45 2.92 0.24 -1.06 -2.47 118.33 120.33 2kt8 n VAL 38 Ca -0.17 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 2kt8 n VAL 38 Cb 0.52 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 2kt8 n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kt8 n GLY 39 N 0.64 -1.22 3.04 7.63 0.00 -1.25 -4.98 105.19 109.04 2kt8 n GLY 39 Ca 0.05 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 2kt8 n GLY 39 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kt8 s GLU 40 N -1.11 0.44 -0.23 1.61 2.12 -1.26 -2.37 118.70 117.90 2kt8 s GLU 40 Ca 0.00 -0.80 -0.03 0.00 0.36 0.00 0.00 54.97 54.49 2kt8 s GLU 40 Cb 0.00 0.16 0.13 0.00 0.26 0.00 0.00 34.13 34.68 2kt8 s GLU 40 CO 0.00 -0.08 0.39 -2.00 -0.54 0.00 0.00 175.26 173.03 2kt8 s GLU 41 N -2.35 0.35 5.25 4.30 2.56 -0.67 -4.85 118.70 123.29 2kt8 s GLU 41 Ca -0.08 0.65 0.00 0.00 0.00 0.00 0.00 54.97 55.54 2kt8 s GLU 41 Cb -0.03 -0.29 0.00 0.00 2.00 0.00 0.00 34.13 35.81 2kt8 s GLU 41 CO -0.04 -0.56 0.00 0.41 -0.56 0.00 0.00 175.26 174.51 2kt8 n GLY 42 N 5.37 2.25 0.76 -1.50 0.00 -1.26 -1.94 105.19 108.86 2kt8 n GLY 42 Ca -0.04 -0.47 0.02 0.00 0.00 0.00 0.00 46.02 45.53 2kt8 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kt8 n ALA 43 N 7.63 2.78 -2.59 4.61 0.00 -1.26 -4.82 120.51 126.86 2kt8 n ALA 43 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.72 2kt8 n ALA 43 Cb 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 2kt8 n ALA 43 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kt8 s PHE 44 N -1.56 1.56 0.03 0.00 0.40 -0.82 -2.37 117.98 115.22 2kt8 s PHE 44 Ca 0.15 -0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2kt8 s PHE 44 Cb 0.11 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.71 2kt8 s PHE 44 CO 0.06 0.12 0.23 0.71 0.70 0.00 0.00 175.22 177.04 2kt8 s TYR 45 N -1.05 3.54 -0.20 0.36 2.02 0.81 -1.66 117.35 121.16 2kt8 s TYR 45 Ca 0.04 0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.99 2kt8 s TYR 45 Cb -0.09 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.56 2kt8 s TYR 45 CO 0.03 0.60 0.30 0.21 -1.57 0.00 0.00 175.55 175.12 2kt8 s LYS 46 N -2.16 4.18 0.14 -0.62 2.20 -1.00 -2.07 119.74 120.42 2kt8 s LYS 46 Ca 0.31 0.05 0.06 0.00 -0.36 0.00 0.00 55.97 56.03 2kt8 s LYS 46 Cb -0.13 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2kt8 s LYS 46 CO 0.22 0.08 -0.14 0.96 -0.36 0.00 0.00 175.35 176.10 2kt8 s ILE 47 N 0.97 1.41 -0.30 5.43 -4.36 0.41 -2.55 121.20 122.22 2kt8 s ILE 47 Ca 0.15 -1.86 -0.20 0.00 -0.26 0.00 0.00 60.65 58.48 2kt8 s ILE 47 Cb -0.14 -1.68 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 2kt8 s ILE 47 CO 0.06 -0.49 0.63 -1.61 0.24 0.00 0.00 174.94 173.77 2kt8 s GLU 48 N -3.00 3.92 -0.45 0.37 0.41 -1.09 -0.84 118.70 118.02 2kt8 s GLU 48 Ca 0.13 0.32 -0.09 0.00 -0.41 0.00 0.00 54.97 54.92 2kt8 s GLU 48 Cb -0.03 -3.72 0.10 0.00 -1.78 0.00 0.00 34.13 28.70 2kt8 s GLU 48 CO 0.03 -0.55 0.32 -0.47 -0.49 0.00 0.00 175.26 174.10 2kt8 s TYR 49 N 2.59 3.39 0.00 1.61 5.04 0.70 -4.78 117.35 125.90 2kt8 s TYR 49 Ca 0.25 -1.71 0.00 0.00 -2.44 0.00 0.00 57.07 53.17 2kt8 s TYR 49 Cb -0.15 -3.29 0.00 0.00 0.35 0.00 0.00 41.96 38.87 2kt8 s TYR 49 CO 0.11 -0.94 0.00 1.63 -1.34 0.00 0.00 175.55 175.02 2kt8 n LYS 50 N 4.92 0.00 -2.41 4.97 5.02 -1.26 0.43 118.16 129.83 2kt8 n LYS 50 Ca -0.09 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.05 2kt8 n LYS 50 Cb 0.42 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.45 2kt8 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kt8 n GLY 51 N 0.00 4.38 3.58 0.72 0.00 -1.26 -5.06 105.19 107.55 2kt8 n GLY 51 Ca 0.00 -2.03 -0.09 0.00 0.00 0.00 0.00 46.02 43.89 2kt8 n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kt8 s SER 52 N -3.60 -0.43 -0.41 1.61 1.04 0.17 -5.12 113.70 106.96 2kt8 s SER 52 Ca 0.40 -0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.45 2kt8 s SER 52 Cb 0.39 0.60 0.02 0.00 0.10 0.00 0.00 66.02 67.12 2kt8 s SER 52 CO -0.02 -1.03 0.50 -1.00 0.98 0.00 0.00 173.24 172.67 2kt8 s HIS 53 N -3.68 3.14 0.14 5.02 3.76 -1.26 -0.21 115.29 122.19 2kt8 s HIS 53 Ca 0.05 -0.17 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 2kt8 s HIS 53 Cb -0.02 -3.01 -0.05 0.00 1.11 0.00 0.00 32.58 30.60 2kt8 s HIS 53 CO -0.06 -0.70 0.36 0.20 -0.85 0.00 0.00 174.74 173.69 2kt8 s GLY 54 N 1.85 2.21 -0.01 -2.22 0.00 -0.02 -4.68 107.32 104.44 2kt8 s GLY 54 Ca 0.16 -0.61 0.05 0.00 0.00 0.00 0.00 44.72 44.32 2kt8 s GLY 54 CO 0.15 -0.54 -0.15 -0.19 0.00 0.00 0.00 173.10 172.37 2kt8 s TYR 55 N -1.65 1.36 0.07 1.90 1.51 0.11 -0.44 117.35 120.21 2kt8 s TYR 55 Ca 0.40 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 2kt8 s TYR 55 Cb -0.12 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 2kt8 s TYR 55 CO 0.25 -0.03 -0.07 0.14 -1.11 0.00 0.00 175.55 174.73 2kt8 s VAL 56 N -0.31 0.60 0.42 0.71 -7.23 -0.88 -2.16 120.40 111.55 2kt8 s VAL 56 Ca 0.05 -1.60 -0.23 0.00 -1.81 0.00 0.00 61.98 58.39 2kt8 s VAL 56 Cb -0.06 -1.26 -0.09 0.00 0.56 0.00 0.00 36.38 35.53 2kt8 s VAL 56 CO -0.00 -0.70 1.03 0.00 -0.31 0.00 0.00 175.10 175.12 2kt8 s ALA 57 N -2.79 3.04 -0.71 1.32 0.00 -1.26 -0.14 121.76 121.22 2kt8 s ALA 57 Ca 0.03 0.65 0.19 0.00 0.00 0.00 0.00 51.96 52.83 2kt8 s ALA 57 Cb -0.00 -3.25 0.80 0.00 0.00 0.00 0.00 23.12 20.66 2kt8 s ALA 57 CO -0.03 -0.19 1.58 0.36 0.00 0.00 0.00 175.76 177.47 2kt8 n LYS 58 N -0.30 0.10 -0.00 0.00 2.85 -1.00 -2.69 118.16 117.12 2kt8 n LYS 58 Ca 0.06 0.36 -0.05 0.00 -1.05 0.00 0.00 58.31 57.63 2kt8 n LYS 58 Cb 0.51 -1.71 0.16 0.00 -0.65 0.00 0.00 35.03 33.34 2kt8 n LYS 58 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2kt8 h GLU 59 N 0.00 0.54 -0.01 -1.58 4.81 -1.91 -2.91 114.58 113.52 2kt8 h GLU 59 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2kt8 h GLU 59 Cb 0.29 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2kt8 h GLU 59 CO 0.00 0.77 -0.32 0.66 -0.73 0.00 0.00 179.01 179.39 2kt8 n TYR 60 N -4.10 0.00 -4.32 0.92 4.01 -1.10 -4.85 117.16 107.73 2kt8 n TYR 60 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 2kt8 n TYR 60 Cb 0.43 -0.06 -0.11 0.00 -0.31 0.00 0.00 39.34 39.29 2kt8 n TYR 60 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2kt8 s ILE 61 N -2.45 4.10 0.00 -0.72 1.09 -1.10 -0.60 121.20 121.52 2kt8 s ILE 61 Ca 0.23 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.49 2kt8 s ILE 61 Cb 0.19 -2.80 0.00 0.00 -1.06 0.00 0.00 42.46 38.78 2kt8 s ILE 61 CO 0.52 0.49 0.00 2.29 -0.10 0.00 0.00 174.94 178.15 2kt8 n LYS 62 N 3.44 0.00 0.00 2.79 2.85 -0.97 -4.86 118.16 121.41 2kt8 n LYS 62 Ca -0.17 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 2kt8 n LYS 62 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2kt8 n LYS 62 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kt8 n ASP 63 N -2.24 0.00 -2.92 -5.58 8.00 -1.26 -2.63 116.55 109.92 2kt8 n ASP 63 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2kt8 n ASP 63 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2kt8 n ASP 63 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kt8 n ILE 64 N 0.00-10.29 -4.05 0.53 5.41 -1.25 -4.99 119.36 104.73 2kt8 n ILE 64 Ca 0.00 0.89 -0.09 0.00 1.00 0.00 0.00 62.75 64.55 2kt8 n ILE 64 Cb 0.00 -6.80 -0.11 0.00 -0.71 0.00 0.00 39.64 32.03 2kt8 n ILE 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2kt8 s LYS 65 N -2.48 0.50 -0.52 0.38 1.02 -0.99 -4.87 119.74 112.79 2kt8 s LYS 65 Ca 0.24 -0.93 -0.28 0.00 0.02 0.00 0.00 55.97 55.02 2kt8 s LYS 65 Cb -0.06 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.35 2kt8 s LYS 65 CO 0.77 -0.06 1.11 -0.51 -0.92 0.00 0.00 175.35 175.75 2kt8 s ASP 66 N -2.18 6.53 -0.00 2.83 1.01 -1.26 -3.15 116.67 120.44 2kt8 s ASP 66 Ca -0.04 0.23 0.17 0.00 0.71 0.00 0.00 52.55 53.63 2kt8 s ASP 66 Cb -0.02 -2.53 -0.19 0.00 1.01 0.00 0.00 42.92 41.19 2kt8 s ASP 66 CO -0.05 -1.30 0.71 -0.62 0.21 0.00 0.00 175.17 174.12 2kt8 n GLU 67 N 7.93 1.23 0.07 8.23 -0.58 -1.26 -4.29 120.64 131.96 2kt8 n GLU 67 Ca 0.09 -0.01 0.09 0.00 -0.42 0.00 0.00 57.16 56.91 2kt8 n GLU 67 Cb 0.49 -1.32 -0.05 0.00 -0.57 0.00 0.00 31.44 29.98 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2kt8 n VAL 68 N -1.46 0.62 -3.29 2.62 0.31 -1.26 -4.87 118.33 111.00 2kt8 n VAL 68 Ca 0.03 -0.57 -0.39 0.00 -0.01 0.00 0.00 64.34 63.40 2kt8 n VAL 68 Cb 0.28 -0.34 -0.06 0.00 -0.91 0.00 0.00 33.84 32.81 2kt8 n VAL 68 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2kt8 s LEU 69 N -5.28 4.46 0.00 7.52 1.43 -1.26 -4.97 118.68 120.59 2kt8 s LEU 69 Ca -0.03 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2kt8 s LEU 69 Cb 0.10 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2kt8 s LEU 69 CO 0.82 0.20 0.00 -1.84 0.23 0.00 0.00 176.35 175.76 2kt8 n GLU 70 N 2.23 0.00 -2.81 1.70 0.28 -1.26 -4.91 120.64 115.87 2kt8 n GLU 70 Ca -0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 56.90 2kt8 n GLU 70 Cb 0.51 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.37 2kt8 n GLU 70 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kt8 n HIS 71 N 0.00 -3.09 -2.09 -1.84 -0.00 -1.26 -4.76 115.22 102.18 2kt8 n HIS 71 Ca 0.00 1.48 -0.41 0.00 0.46 0.00 0.00 57.72 59.24 2kt8 n HIS 71 Cb 0.00 -3.24 -0.03 0.00 -0.12 0.00 0.00 29.99 26.60 2kt8 n HIS 71 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kt8 s HIS 72 N -1.25 1.86 0.00 1.57 2.46 -1.26 -4.63 115.29 114.04 2kt8 s HIS 72 Ca -0.05 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.16 2kt8 s HIS 72 Cb 0.00 -4.16 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 2kt8 s HIS 72 CO 0.59 -2.51 0.00 1.58 -2.47 0.00 0.00 174.74 171.92 2kt8 n HIS 73 N 10.97 0.00 -4.05 3.88 -0.00 -1.26 -4.51 115.22 120.25 2kt8 n HIS 73 Ca 0.20 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2kt8 n HIS 73 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.41 2kt8 n HIS 73 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kt8 s HIS 74 N 0.00 0.60 0.36 1.57 0.00 -1.26 -5.14 115.29 111.43 2kt8 s HIS 74 Ca 0.00 -0.93 -0.28 0.00 -3.00 0.00 0.00 55.06 50.86 2kt8 s HIS 74 Cb 0.00 -0.11 -0.10 0.00 -4.00 0.00 0.00 32.58 28.38 2kt8 s HIS 74 CO 0.00 -0.80 1.32 -3.38 -1.00 0.00 0.00 174.74 170.87 2kt8 s HIS 75 N -4.04 2.93 0.00 0.38 -3.43 -1.26 -5.10 115.29 104.76 2kt8 s HIS 75 Ca 0.25 1.40 0.00 0.00 -0.80 0.00 0.00 55.06 55.91 2kt8 s HIS 75 Cb 0.03 -3.70 0.00 0.00 -1.43 0.00 0.00 32.58 27.48 2kt8 s HIS 75 CO 0.07 -2.02 0.00 0.72 -2.00 0.00 0.00 174.74 171.51