#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 0.53 0.21 0.00 2.12 -1.26 -4.88 118.70 115.42 2kt8 s GLU 2 Ca 0.00 0.57 0.09 0.00 0.36 0.00 0.00 54.97 55.99 2kt8 s GLU 2 Cb 0.00 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 2kt8 s GLU 2 CO 0.00 -0.94 -0.06 0.21 -0.54 0.00 0.00 175.26 173.93 2kt8 s LYS 3 N 2.77 2.17 -0.04 4.30 2.20 -0.91 -4.79 119.74 125.44 2kt8 s LYS 3 Ca 0.12 -1.31 -0.02 0.00 -0.36 0.00 0.00 55.97 54.40 2kt8 s LYS 3 Cb -0.12 -2.18 0.02 0.00 -1.51 0.00 0.00 37.83 34.05 2kt8 s LYS 3 CO -0.25 0.41 0.09 0.99 -0.36 0.00 0.00 175.35 176.23 2kt8 s THR 4 N -1.93 -0.03 -0.13 3.43 2.01 -1.25 0.39 115.64 118.14 2kt8 s THR 4 Ca 0.27 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.32 2kt8 s THR 4 Cb -0.08 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2kt8 s THR 4 CO 0.17 0.04 0.04 -0.83 -0.69 0.00 0.00 174.62 173.35 2kt8 s GLY 5 N 0.55 1.91 -0.26 4.40 0.00 -1.15 -2.27 107.32 110.50 2kt8 s GLY 5 Ca -0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 44.72 43.79 2kt8 s GLY 5 CO -0.02 -0.29 0.27 -0.42 0.00 0.00 0.00 173.10 172.63 2kt8 s ILE 6 N -0.39 5.26 0.05 0.90 -1.09 -0.80 -2.91 121.20 122.22 2kt8 s ILE 6 Ca 0.09 0.37 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 2kt8 s ILE 6 Cb -0.12 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 2kt8 s ILE 6 CO 0.02 0.24 0.93 -0.69 -1.23 0.00 0.00 174.94 174.21 2kt8 s VAL 7 N 1.66 4.72 -0.22 2.92 1.01 -0.97 -2.41 120.40 127.11 2kt8 s VAL 7 Ca 0.11 1.98 -0.04 0.00 0.00 0.00 0.00 61.98 64.04 2kt8 s VAL 7 Cb -0.15 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.04 2kt8 s VAL 7 CO 0.09 0.25 0.22 0.21 0.00 0.00 0.00 175.10 175.87 2kt8 s ASN 8 N 0.48 1.56 0.13 3.32 3.84 -1.00 0.01 114.94 123.28 2kt8 s ASN 8 Ca 0.48 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 53.21 2kt8 s ASN 8 Cb -0.22 0.33 -0.04 0.00 -0.55 0.00 0.00 41.25 40.77 2kt8 s ASN 8 CO 0.28 -0.34 -0.03 0.68 -2.79 0.00 0.00 177.10 174.90 2kt8 s VAL 9 N 2.31 0.63 0.18 -5.21 -7.23 -1.26 -4.80 120.40 105.02 2kt8 s VAL 9 Ca 0.07 -1.95 -0.12 0.00 -1.81 0.00 0.00 61.98 58.17 2kt8 s VAL 9 Cb -0.16 -1.89 0.09 0.00 0.56 0.00 0.00 36.38 34.99 2kt8 s VAL 9 CO -0.16 -0.68 1.79 -1.28 -0.31 0.00 0.00 175.10 174.47 2kt8 h SER 10 N 2.85 0.78 0.00 4.85 0.87 -2.01 -3.44 113.55 117.45 2kt8 h SER 10 Ca -0.36 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2kt8 h SER 10 Cb 1.18 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2kt8 h SER 10 CO 0.63 0.65 0.00 -1.20 -0.53 0.00 0.00 176.83 176.38 2kt8 n SER 11 N -4.55 0.00 -4.26 6.23 7.64 -1.26 -5.04 113.62 112.37 2kt8 n SER 11 Ca 0.04 0.00 -0.17 0.00 1.01 0.00 0.00 58.87 59.76 2kt8 n SER 11 Cb 0.09 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 2kt8 n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kt8 s SER 12 N 1.00 2.01 -0.12 6.43 0.01 -1.26 -3.78 113.70 117.99 2kt8 s SER 12 Ca 0.00 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2kt8 s SER 12 Cb 0.00 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 2kt8 s SER 12 CO 0.00 -0.21 -0.13 -0.22 0.41 0.00 0.00 173.24 173.09 2kt8 s LEU 13 N -2.83 2.73 0.18 2.44 2.96 -0.14 -4.98 118.68 119.03 2kt8 s LEU 13 Ca 0.14 -0.31 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 2kt8 s LEU 13 Cb -0.02 -1.61 -0.07 0.00 0.50 0.00 0.00 46.19 44.99 2kt8 s LEU 13 CO 0.03 0.18 0.62 0.20 -1.32 0.00 0.00 176.35 176.06 2kt8 s ASN 14 N 0.25 6.93 -0.10 3.68 0.01 -1.26 0.05 114.94 124.49 2kt8 s ASN 14 Ca -0.09 1.23 -0.17 0.00 -0.71 0.00 0.00 52.86 53.11 2kt8 s ASN 14 Cb -0.15 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 2kt8 s ASN 14 CO 0.05 0.07 0.45 -0.69 -1.51 0.00 0.00 177.10 175.48 2kt8 s VAL 15 N -1.49 5.17 -0.11 1.60 1.01 0.29 -4.88 120.40 121.99 2kt8 s VAL 15 Ca 0.40 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 63.26 2kt8 s VAL 15 Cb -0.16 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2kt8 s VAL 15 CO 0.20 0.36 -0.01 -0.13 0.00 0.00 0.00 175.10 175.52 2kt8 s ARG 16 N 0.38 3.23 -0.89 2.72 0.52 -0.99 -3.42 118.95 120.50 2kt8 s ARG 16 Ca 0.25 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 2kt8 s ARG 16 Cb -0.15 -2.84 0.16 0.00 0.52 0.00 0.00 34.95 32.64 2kt8 s ARG 16 CO 0.10 0.54 0.99 -2.00 0.02 0.00 0.00 175.30 174.95 2kt8 s GLU 17 N -0.43 3.60 0.00 3.54 2.12 -0.76 -1.01 118.70 125.75 2kt8 s GLU 17 Ca 0.08 -2.02 0.00 0.00 0.36 0.00 0.00 54.97 53.39 2kt8 s GLU 17 Cb -0.12 -4.73 0.00 0.00 0.26 0.00 0.00 34.13 29.54 2kt8 s GLU 17 CO 0.02 -1.59 0.00 0.41 -0.54 0.00 0.00 175.26 173.56 2kt8 n GLY 18 N 4.92 0.75 1.87 -1.50 0.00 -1.26 -4.31 105.19 105.67 2kt8 n GLY 18 Ca 0.20 -2.12 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 2kt8 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kt8 n ALA 19 N -1.00 5.23 -2.79 4.61 0.00 -1.26 -4.64 120.51 120.66 2kt8 n ALA 19 Ca 0.00 -3.07 -0.15 0.00 0.00 0.00 0.00 53.44 50.22 2kt8 n ALA 19 Cb 0.00 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.13 2kt8 n ALA 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kt8 s SER 20 N -1.84 1.13 0.35 0.00 0.01 -1.26 -5.01 113.70 107.07 2kt8 s SER 20 Ca 0.53 -0.53 0.11 0.00 1.31 0.00 0.00 55.95 57.37 2kt8 s SER 20 Cb 0.46 -0.01 0.64 0.00 0.21 0.00 0.00 66.02 67.31 2kt8 s SER 20 CO 0.06 -0.13 1.79 0.71 0.41 0.00 0.00 173.24 176.08 2kt8 h THR 21 N 4.48 1.28 0.00 1.44 1.35 -1.99 -2.10 112.91 117.37 2kt8 h THR 21 Ca -0.37 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 2kt8 h THR 21 Cb 1.20 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 2kt8 h THR 21 CO 0.41 0.39 0.00 -0.24 -0.25 0.00 0.00 175.52 175.83 2kt8 n SER 22 N -4.08 0.00 -4.76 5.36 2.88 -1.26 -4.84 113.62 106.93 2kt8 n SER 22 Ca -0.02 -1.33 -0.36 0.00 -1.33 0.00 0.00 58.87 55.82 2kt8 n SER 22 Cb 0.42 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2kt8 n SER 22 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kt8 s SER 23 N -1.44 5.34 0.36 -3.46 0.01 -0.79 -4.96 113.70 108.76 2kt8 s SER 23 Ca 0.10 2.44 -0.26 0.00 1.31 0.00 0.00 55.95 59.53 2kt8 s SER 23 Cb 0.05 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 2kt8 s SER 23 CO 0.08 -1.50 1.16 -0.54 0.41 0.00 0.00 173.24 172.85 2kt8 s LYS 24 N -3.18 4.24 -0.09 12.44 1.02 -1.26 -4.57 119.74 128.35 2kt8 s LYS 24 Ca 0.75 1.84 -0.24 0.00 0.02 0.00 0.00 55.97 58.33 2kt8 s LYS 24 Cb -0.32 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.14 2kt8 s LYS 24 CO 0.35 -0.16 0.75 0.08 -0.92 0.00 0.00 175.35 175.45 2kt8 s VAL 25 N -1.35 4.99 -1.49 3.17 1.01 -1.26 -1.83 120.40 123.64 2kt8 s VAL 25 Ca 0.53 1.53 0.14 0.00 0.00 0.00 0.00 61.98 64.18 2kt8 s VAL 25 Cb -0.31 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.03 2kt8 s VAL 25 CO 0.40 0.19 0.85 2.30 0.00 0.00 0.00 175.10 178.83 2kt8 n ILE 26 N 4.04 0.00 0.00 2.22 -5.35 -1.22 -5.00 119.36 114.05 2kt8 n ILE 26 Ca 0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2kt8 n ILE 26 Cb 0.51 1.22 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 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 0.97 -0.71 3.13 3.28 0.00 -1.26 -5.04 105.19 105.55 2kt8 n GLY 27 Ca 0.07 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 1.22 0.06 1.61 0.01 -1.26 -0.55 113.70 114.79 2kt8 s SER 28 Ca 0.00 -0.72 0.08 0.00 1.31 0.00 0.00 55.95 56.62 2kt8 s SER 28 Cb 0.00 0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2kt8 s SER 28 CO 0.00 -0.25 -0.22 -0.76 0.41 0.00 0.00 173.24 172.42 2kt8 s LEU 29 N -2.13 2.21 0.69 2.44 1.43 0.11 -4.91 118.68 118.52 2kt8 s LEU 29 Ca -0.00 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 2kt8 s LEU 29 Cb -0.05 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.17 2kt8 s LEU 29 CO -0.00 0.15 1.08 -0.55 0.23 0.00 0.00 176.35 177.26 2kt8 s SER 30 N -1.42 5.57 0.87 2.29 0.15 -1.26 -0.97 113.70 118.94 2kt8 s SER 30 Ca 0.08 1.20 -0.11 0.00 0.70 0.00 0.00 55.95 57.83 2kt8 s SER 30 Cb -0.09 -2.05 0.12 0.00 -1.71 0.00 0.00 66.02 62.28 2kt8 s SER 30 CO 0.03 -1.27 1.10 -0.83 1.20 0.00 0.00 173.24 173.47 2kt8 s GLY 31 N -4.30 1.66 -1.36 9.45 0.00 -1.25 -3.14 107.32 108.38 2kt8 s GLY 31 Ca 0.58 0.28 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 2kt8 s GLY 31 CO 0.52 0.71 0.20 0.70 0.00 0.00 0.00 173.10 175.23 2kt8 n ASN 32 N -3.94 -4.77 -4.68 1.64 3.02 0.10 -4.94 115.26 101.71 2kt8 n ASN 32 Ca 0.09 -0.05 -0.36 0.00 -0.03 0.00 0.00 54.58 54.23 2kt8 n ASN 32 Cb 0.53 -3.96 -0.09 0.00 -0.61 0.00 0.00 39.78 35.65 2kt8 n ASN 32 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kt8 s THR 33 N -2.88 5.36 0.06 3.41 2.01 -1.19 -4.88 115.64 117.53 2kt8 s THR 33 Ca 0.13 0.18 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 2kt8 s THR 33 Cb -0.06 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2kt8 s THR 33 CO 0.16 0.37 0.99 -0.75 -0.69 0.00 0.00 174.62 174.70 2kt8 s LYS 34 N 0.88 4.61 -0.06 4.92 2.20 -1.26 -2.30 119.74 128.73 2kt8 s LYS 34 Ca 0.08 1.47 0.03 0.00 -0.36 0.00 0.00 55.97 57.18 2kt8 s LYS 34 Cb -0.13 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.79 2kt8 s LYS 34 CO 0.03 0.05 -0.15 0.14 -0.36 0.00 0.00 175.35 175.06 2kt8 s VAL 35 N 0.53 1.32 0.15 4.02 -7.23 -1.15 -4.99 120.40 113.05 2kt8 s VAL 35 Ca 0.50 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 2kt8 s VAL 35 Cb -0.23 -1.17 -0.07 0.00 0.56 0.00 0.00 36.38 35.47 2kt8 s VAL 35 CO 0.29 0.39 1.12 0.42 -0.31 0.00 0.00 175.10 177.01 2kt8 s THR 36 N 0.41 3.94 -0.15 5.32 -4.23 -1.26 -2.93 115.64 116.74 2kt8 s THR 36 Ca -0.11 1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 61.97 2kt8 s THR 36 Cb -0.14 -4.02 -0.02 0.00 1.34 0.00 0.00 72.50 69.66 2kt8 s THR 36 CO 0.04 0.24 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.65 2kt8 s ILE 37 N 0.06 3.50 -0.90 2.99 1.01 0.16 -2.49 121.20 125.54 2kt8 s ILE 37 Ca 0.51 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.75 2kt8 s ILE 37 Cb -0.29 -2.52 0.04 0.00 0.01 0.00 0.00 42.46 39.70 2kt8 s ILE 37 CO 0.34 0.50 0.68 1.33 0.00 0.00 0.00 174.94 177.79 2kt8 n VAL 38 N 3.66 0.00 -4.03 2.92 0.24 -1.18 -2.14 118.33 117.80 2kt8 n VAL 38 Ca -0.18 -0.47 0.04 0.00 -2.04 0.00 0.00 64.34 61.69 2kt8 n VAL 38 Cb 0.52 1.14 0.01 0.00 -1.47 0.00 0.00 33.84 34.04 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 0.57 0.14 3.13 7.63 0.00 -1.25 -5.07 105.19 110.33 2kt8 n GLY 39 Ca 0.04 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 2kt8 n GLY 39 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kt8 s GLU 40 N -2.00 0.69 -0.25 1.61 -1.05 -1.26 -2.00 118.70 114.44 2kt8 s GLU 40 Ca 0.28 -1.08 -0.04 0.00 -0.15 0.00 0.00 54.97 53.99 2kt8 s GLU 40 Cb -0.00 0.26 0.14 0.00 -0.44 0.00 0.00 34.13 34.09 2kt8 s GLU 40 CO -0.02 -0.17 0.47 -2.00 0.95 0.00 0.00 175.26 174.49 2kt8 s GLU 41 N -3.76 0.42 5.60 -4.83 2.12 -0.52 -4.85 118.70 112.89 2kt8 s GLU 41 Ca 0.05 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.23 2kt8 s GLU 41 Cb 0.06 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.53 2kt8 s GLU 41 CO -0.10 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.52 2kt8 n GLY 42 N 5.40 2.63 1.24 -1.50 0.00 -1.26 -1.71 105.19 109.99 2kt8 n GLY 42 Ca -0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 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 8.22 3.34 -2.66 4.61 0.00 -1.26 -4.83 120.51 127.93 2kt8 n ALA 43 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 53.44 52.35 2kt8 n ALA 43 Cb 0.00 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.45 1.28 -0.05 0.00 0.08 -0.69 -2.29 117.98 114.86 2kt8 s PHE 44 Ca 0.21 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 2kt8 s PHE 44 Cb 0.17 -0.74 -0.04 0.00 -0.57 0.00 0.00 43.02 41.84 2kt8 s PHE 44 CO 0.05 0.06 0.08 0.71 -0.10 0.00 0.00 175.22 176.02 2kt8 s TYR 45 N -1.05 3.33 -0.15 0.36 2.02 0.40 -1.44 117.35 120.83 2kt8 s TYR 45 Ca 0.01 0.28 -0.18 0.00 -0.37 0.00 0.00 57.07 56.80 2kt8 s TYR 45 Cb -0.09 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 2kt8 s TYR 45 CO 0.02 0.57 0.50 0.21 -1.57 0.00 0.00 175.55 175.28 2kt8 s LYS 46 N -1.36 4.29 0.11 -0.62 2.20 -0.85 -2.17 119.74 121.35 2kt8 s LYS 46 Ca 0.19 0.45 0.06 0.00 -0.36 0.00 0.00 55.97 56.30 2kt8 s LYS 46 Cb -0.12 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2kt8 s LYS 46 CO 0.09 0.05 -0.14 0.96 -0.36 0.00 0.00 175.35 175.95 2kt8 s ILE 47 N 0.98 1.26 -0.45 5.43 -4.36 0.50 -3.08 121.20 121.48 2kt8 s ILE 47 Ca 0.26 -1.65 -0.27 0.00 -0.26 0.00 0.00 60.65 58.73 2kt8 s ILE 47 Cb -0.15 -1.45 0.03 0.00 1.25 0.00 0.00 42.46 42.13 2kt8 s ILE 47 CO 0.10 -0.40 1.01 -0.70 0.24 0.00 0.00 174.94 175.19 2kt8 s GLU 48 N -2.55 3.67 -0.27 0.37 2.56 -1.04 -0.00 118.70 121.45 2kt8 s GLU 48 Ca 0.07 0.41 -0.07 0.00 0.00 0.00 0.00 54.97 55.38 2kt8 s GLU 48 Cb -0.05 -3.89 -0.01 0.00 2.00 0.00 0.00 34.13 32.17 2kt8 s GLU 48 CO 0.03 -1.23 0.07 -0.47 -0.56 0.00 0.00 175.26 173.10 2kt8 s TYR 49 N 3.96 3.11 0.00 5.30 5.04 0.61 -4.80 117.35 130.57 2kt8 s TYR 49 Ca 0.41 -0.71 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 2kt8 s TYR 49 Cb -0.09 -2.25 0.00 0.00 0.35 0.00 0.00 41.96 39.97 2kt8 s TYR 49 CO 0.27 -0.47 0.00 1.63 -1.34 0.00 0.00 175.55 175.63 2kt8 n LYS 50 N 4.90 0.00 0.00 4.97 4.76 -1.26 -0.60 118.16 130.93 2kt8 n LYS 50 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2kt8 n LYS 50 Cb 0.50 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.69 2kt8 n LYS 50 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kt8 n GLY 51 N 0.00 0.00 3.95 0.72 0.00 -1.26 -5.06 105.19 103.53 2kt8 n GLY 51 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.12 5.12 -0.34 1.61 1.04 0.23 -5.05 113.70 113.19 2kt8 s SER 52 Ca 0.00 0.25 -0.16 0.00 0.48 0.00 0.00 55.95 56.52 2kt8 s SER 52 Cb 0.00 -1.05 -0.01 0.00 0.10 0.00 0.00 66.02 65.06 2kt8 s SER 52 CO 0.00 -1.32 0.39 -1.00 0.98 0.00 0.00 173.24 172.29 2kt8 s HIS 53 N -2.98 3.21 0.38 5.02 0.09 -1.26 -0.28 115.29 119.46 2kt8 s HIS 53 Ca 0.58 0.05 -0.12 0.00 -0.00 0.00 0.00 55.06 55.56 2kt8 s HIS 53 Cb -0.11 -2.70 -0.07 0.00 -0.00 0.00 0.00 32.58 29.70 2kt8 s HIS 53 CO 0.42 -0.43 0.76 0.20 -0.00 0.00 0.00 174.74 175.68 2kt8 s GLY 54 N 1.73 2.08 -0.03 -2.22 0.00 1.00 -4.72 107.32 105.16 2kt8 s GLY 54 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.81 2kt8 s GLY 54 CO 0.12 0.08 -0.24 -0.19 0.00 0.00 0.00 173.10 172.87 2kt8 s TYR 55 N -2.24 2.24 0.05 1.90 1.51 -0.18 -0.37 117.35 120.26 2kt8 s TYR 55 Ca 0.52 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 56.11 2kt8 s TYR 55 Cb -0.10 -1.45 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 2kt8 s TYR 55 CO 0.27 -0.09 -0.07 0.14 -1.11 0.00 0.00 175.55 174.69 2kt8 s VAL 56 N -0.45 0.51 0.43 0.71 -7.23 -0.92 -2.35 120.40 111.09 2kt8 s VAL 56 Ca 0.06 -1.28 -0.23 0.00 -1.81 0.00 0.00 61.98 58.72 2kt8 s VAL 56 Cb -0.11 -0.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 2kt8 s VAL 56 CO 0.00 -0.53 1.05 0.00 -0.31 0.00 0.00 175.10 175.31 2kt8 s ALA 57 N -1.98 3.02 -0.56 1.32 0.00 -1.26 -0.45 121.76 121.84 2kt8 s ALA 57 Ca -0.05 0.68 0.23 0.00 0.00 0.00 0.00 51.96 52.81 2kt8 s ALA 57 Cb -0.06 -3.27 0.93 0.00 0.00 0.00 0.00 23.12 20.72 2kt8 s ALA 57 CO -0.01 -0.25 1.69 0.36 0.00 0.00 0.00 175.76 177.55 2kt8 n LYS 58 N -0.36 0.18 -0.14 0.00 2.85 -0.97 -2.88 118.16 116.83 2kt8 n LYS 58 Ca 0.06 0.38 -0.06 0.00 -1.05 0.00 0.00 58.31 57.65 2kt8 n LYS 58 Cb 0.50 -1.82 0.12 0.00 -0.65 0.00 0.00 35.03 33.18 2kt8 n LYS 58 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2kt8 h GLU 59 N 0.00 0.88 -0.01 -1.58 5.08 -1.91 -2.92 114.58 114.12 2kt8 h GLU 59 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2kt8 h GLU 59 Cb 0.39 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kt8 h GLU 59 CO 0.00 0.88 -0.63 0.66 -1.00 0.00 0.00 179.01 178.91 2kt8 n TYR 60 N -4.20 0.00 -4.29 4.33 4.01 -1.14 -4.87 117.16 111.00 2kt8 n TYR 60 Ca 0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.43 2kt8 n TYR 60 Cb 0.31 -0.06 -0.12 0.00 -0.31 0.00 0.00 39.34 39.17 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 -2.75 4.04 0.31 -0.72 1.09 -1.10 -2.39 121.20 119.68 2kt8 s ILE 61 Ca 0.14 -0.30 0.01 0.00 -1.10 0.00 0.00 60.65 59.40 2kt8 s ILE 61 Cb 0.17 -2.79 -0.00 0.00 -1.06 0.00 0.00 42.46 38.79 2kt8 s ILE 61 CO 0.69 0.48 0.39 2.29 -0.10 0.00 0.00 174.94 178.69 2kt8 n LYS 62 N 3.64 0.56 -3.44 2.79 2.85 -1.01 -4.77 118.16 118.78 2kt8 n LYS 62 Ca -0.17 -2.71 -0.19 0.00 -1.05 0.00 0.00 58.31 54.19 2kt8 n LYS 62 Cb 0.52 2.47 0.08 0.00 -0.65 0.00 0.00 35.03 37.46 2kt8 n LYS 62 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kt8 n ASP 63 N -1.71 -3.44 -4.72 -5.58 2.03 -1.26 -1.90 116.55 99.96 2kt8 n ASP 63 Ca 0.03 -0.57 -0.42 0.00 0.52 0.00 0.00 54.79 54.35 2kt8 n ASP 63 Cb 0.54 -4.93 -0.03 0.00 -0.72 0.00 0.00 41.12 35.98 2kt8 n ASP 63 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kt8 s ILE 64 N -3.33 4.15 0.02 5.18 1.01 -1.26 -4.29 121.20 122.67 2kt8 s ILE 64 Ca 0.19 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.46 2kt8 s ILE 64 Cb -0.08 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2kt8 s ILE 64 CO 0.70 0.16 0.02 -0.54 0.00 0.00 0.00 174.94 175.28 2kt8 s LYS 65 N 0.71 2.80 0.50 2.79 1.02 -0.96 -5.01 119.74 121.58 2kt8 s LYS 65 Ca 0.55 -0.63 -0.20 0.00 0.02 0.00 0.00 55.97 55.71 2kt8 s LYS 65 Cb -0.28 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.27 2kt8 s LYS 65 CO 0.30 0.61 1.07 -0.51 -0.92 0.00 0.00 175.35 175.91 2kt8 s ASP 66 N -1.76 6.15 0.00 2.83 1.01 -1.26 -3.89 116.67 119.75 2kt8 s ASP 66 Ca 0.22 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.51 2kt8 s ASP 66 Cb -0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2kt8 s ASP 66 CO 0.13 -0.91 0.43 1.21 0.21 0.00 0.00 175.17 176.23 2kt8 n GLU 67 N -1.00 0.00 -2.94 8.23 4.07 -1.26 -4.66 120.64 123.08 2kt8 n GLU 67 Ca 0.10 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.79 2kt8 n GLU 67 Cb 0.52 -0.93 -0.05 0.00 -0.06 0.00 0.00 31.44 30.92 2kt8 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2kt8 s VAL 68 N -0.86 4.81 -2.08 6.31 -7.23 -1.26 -4.93 120.40 115.16 2kt8 s VAL 68 Ca 0.00 1.68 0.28 0.00 -1.81 0.00 0.00 61.98 62.13 2kt8 s VAL 68 Cb 0.00 -4.14 0.49 0.00 0.56 0.00 0.00 36.38 33.28 2kt8 s VAL 68 CO 0.00 0.30 1.76 0.18 -0.31 0.00 0.00 175.10 177.03 2kt8 n LEU 69 N 3.20 1.03 -4.73 1.32 4.32 -1.26 -4.87 117.00 116.02 2kt8 n LEU 69 Ca -0.01 -0.29 -0.41 0.00 -0.02 0.00 0.00 56.01 55.28 2kt8 n LEU 69 Cb 0.51 -0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 42.20 2kt8 n LEU 69 CO 0.48 0.18 0.75 -1.61 -1.22 0.00 0.00 177.39 175.98 2kt8 s GLU 70 N -2.23 4.62 -0.07 3.23 2.02 -1.26 -4.92 118.70 120.09 2kt8 s GLU 70 Ca 0.33 1.63 0.17 0.00 0.02 0.00 0.00 54.97 57.12 2kt8 s GLU 70 Cb 0.20 -3.32 0.57 0.00 0.10 0.00 0.00 34.13 31.69 2kt8 s GLU 70 CO 0.42 0.10 1.48 0.72 0.02 0.00 0.00 175.26 178.00 2kt8 n HIS 71 N 2.61 1.05 -0.55 1.61 8.25 -1.26 -4.91 115.22 122.01 2kt8 n HIS 71 Ca 0.03 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 2kt8 n HIS 71 Cb 0.47 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.43 2kt8 n HIS 71 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kt8 n HIS 72 N 0.80 0.00 -3.63 4.41 -0.00 -1.26 -4.83 115.22 110.71 2kt8 n HIS 72 Ca 0.21 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.73 2kt8 n HIS 72 Cb 0.72 -1.42 -0.16 0.00 -0.00 0.00 0.00 29.99 29.13 2kt8 n HIS 72 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kt8 s HIS 73 N -0.74 -0.06 -0.41 4.41 5.65 -1.26 -5.07 115.29 117.80 2kt8 s HIS 73 Ca 0.00 0.28 0.01 0.00 0.25 0.00 0.00 55.06 55.60 2kt8 s HIS 73 Cb 0.00 -0.41 0.19 0.00 -1.18 0.00 0.00 32.58 31.18 2kt8 s HIS 73 CO 0.00 -0.35 0.85 -1.58 -0.65 0.00 0.00 174.74 173.01 2kt8 s HIS 74 N 2.24 -1.10 0.14 3.88 5.04 -1.26 -5.02 115.29 119.20 2kt8 s HIS 74 Ca 0.04 -0.09 -0.14 0.00 -1.54 0.00 0.00 55.06 53.33 2kt8 s HIS 74 Cb -0.13 0.21 -0.00 0.00 0.04 0.00 0.00 32.58 32.69 2kt8 s HIS 74 CO -0.07 -0.80 1.60 1.25 -2.34 0.00 0.00 174.74 174.38 2kt8 h HIS 75 N 5.50 0.83 0.00 3.88 2.76 -2.03 -3.54 115.15 122.55 2kt8 h HIS 75 Ca 0.02 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 2kt8 h HIS 75 Cb 1.17 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2kt8 h HIS 75 CO 0.03 0.80 0.00 1.58 -1.30 0.00 0.00 177.93 179.04