#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3s n GLN 2 N 0.00 0.00 -4.01 1.61 6.02 -1.26 -5.17 117.38 114.57 3k3s n GLN 2 Ca 0.00 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 56.88 3k3s n GLN 2 Cb 0.00 -0.02 -0.09 0.00 1.02 0.00 0.00 30.24 31.15 3k3s n GLN 2 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 3k3s s TYR 3 N 0.00 0.38 -0.08 1.08 -0.85 -1.26 -0.96 117.35 115.66 3k3s s TYR 3 Ca 0.00 -0.84 0.03 0.00 -0.52 0.00 0.00 57.07 55.74 3k3s s TYR 3 Cb 0.00 -0.27 0.01 0.00 0.38 0.00 0.00 41.96 42.08 3k3s s TYR 3 CO 0.00 -0.39 -0.17 -1.50 -1.52 0.00 0.00 175.55 171.97 3k3s s ILE 4 N -3.48 1.48 -0.32 -3.49 2.07 -0.24 -4.88 121.20 112.34 3k3s s ILE 4 Ca 0.03 -0.69 -0.10 0.00 -1.41 0.00 0.00 60.65 58.47 3k3s s ILE 4 Cb 0.04 -1.31 -0.01 0.00 0.13 0.00 0.00 42.46 41.31 3k3s s ILE 4 CO -0.09 0.43 0.18 -0.75 -1.91 0.00 0.00 174.94 172.80 3k3s s LYS 5 N 0.50 3.38 0.14 3.50 2.20 -1.26 -0.97 119.74 127.22 3k3s s LYS 5 Ca -0.15 -0.70 -0.06 0.00 -0.36 0.00 0.00 55.97 54.69 3k3s s LYS 5 Cb -0.16 -3.63 -0.06 0.00 -1.51 0.00 0.00 37.83 32.47 3k3s s LYS 5 CO 0.05 -0.42 1.35 0.82 -0.36 0.00 0.00 175.35 176.79 3k3s h ILE 6 N 5.62 1.35 -3.79 5.43 2.04 -1.98 -3.46 117.51 122.72 3k3s h ILE 6 Ca -0.32 -2.16 -0.15 0.00 1.00 0.00 0.00 64.86 63.22 3k3s h ILE 6 Cb 1.15 2.16 -0.20 0.00 -0.74 0.00 0.00 36.82 39.19 3k3s h ILE 6 CO 0.62 0.66 -0.60 -2.28 0.00 0.00 0.00 178.15 176.55 3k3s s HIS 7 N -3.56 0.18 0.57 1.37 5.04 -1.26 -4.92 115.29 112.71 3k3s s HIS 7 Ca -0.07 -0.40 0.26 0.00 -1.54 0.00 0.00 55.06 53.31 3k3s s HIS 7 Cb 0.09 -0.14 1.68 0.00 0.04 0.00 0.00 32.58 34.25 3k3s s HIS 7 CO 0.87 -0.26 2.23 0.00 -2.34 0.00 0.00 174.74 175.24 3k3s h ALA 8 N 4.32 1.65 -0.00 1.58 0.00 -1.97 -1.92 119.26 122.92 3k3s h ALA 8 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k3s h ALA 8 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3k3s h ALA 8 CO 0.43 0.00 -0.44 1.28 0.00 0.00 0.00 179.25 180.52 3k3s n LEU 9 N -4.03 0.51 -4.76 0.00 4.77 -1.26 -4.94 117.00 107.29 3k3s n LEU 9 Ca -0.03 0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.57 3k3s n LEU 9 Cb 0.08 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3k3s n LEU 9 CO 0.29 0.12 0.99 -1.81 -1.33 0.00 0.00 177.39 175.66 3k3s s ASP 10 N -2.94 5.79 0.00 -1.43 1.01 -0.72 -4.86 116.67 113.52 3k3s s ASP 10 Ca 0.13 2.75 0.11 0.00 0.71 0.00 0.00 52.55 56.25 3k3s s ASP 10 Cb 0.18 -2.64 0.27 0.00 1.01 0.00 0.00 42.92 41.73 3k3s s ASP 10 CO 0.67 -1.21 1.17 -0.46 0.21 0.00 0.00 175.17 175.55 3k3s n ASN 11 N -0.44 2.73 -4.23 0.27 0.23 -0.82 -4.96 115.26 108.04 3k3s n ASN 11 Ca 0.07 -1.88 -0.21 0.00 -0.53 0.00 0.00 54.58 52.03 3k3s n ASN 11 Cb 0.44 -0.18 -0.12 0.00 -2.08 0.00 0.00 39.78 37.83 3k3s n ASN 11 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3k3s s VAL 12 N -0.99 1.41 0.28 3.53 -7.23 -1.24 -0.79 120.40 115.37 3k3s s VAL 12 Ca 0.22 -1.50 0.12 0.00 -1.81 0.00 0.00 61.98 59.01 3k3s s VAL 12 Cb 0.12 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.64 3k3s s VAL 12 CO 0.16 -0.20 -0.17 0.00 -0.31 0.00 0.00 175.10 174.58 3k3s s ALA 13 N -1.41 2.81 -0.17 1.32 0.00 -0.37 -4.65 121.76 119.29 3k3s s ALA 13 Ca 0.04 -1.86 -0.06 0.00 0.00 0.00 0.00 51.96 50.08 3k3s s ALA 13 Cb -0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 3k3s s ALA 13 CO 0.03 0.27 0.04 0.08 0.00 0.00 0.00 175.76 176.18 3k3s s VAL 14 N -2.49 4.56 0.20 0.00 1.01 -0.14 -1.06 120.40 122.48 3k3s s VAL 14 Ca 0.30 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 3k3s s VAL 14 Cb -0.05 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 3k3s s VAL 14 CO 0.16 0.47 1.25 0.00 0.00 0.00 0.00 175.10 176.98 3k3s s ALA 15 N 0.34 3.48 -2.00 5.51 0.00 -0.17 -1.08 121.76 127.84 3k3s s ALA 15 Ca 0.01 1.03 0.24 0.00 0.00 0.00 0.00 51.96 53.25 3k3s s ALA 15 Cb -0.13 -3.45 0.31 0.00 0.00 0.00 0.00 23.12 19.86 3k3s s ALA 15 CO 0.01 -0.46 1.29 1.28 0.00 0.00 0.00 175.76 177.89 3k3s n LEU 16 N 2.49 1.70 -3.80 0.00 4.77 -0.13 0.07 117.00 122.09 3k3s n LEU 16 Ca 0.05 -0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 55.36 3k3s n LEU 16 Cb 0.44 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3k3s n LEU 16 CO 0.57 0.31 0.28 0.00 -1.33 0.00 0.00 177.39 177.22 3k3s s ALA 17 N -2.45 -0.85 0.02 -1.18 0.00 -1.26 -4.85 121.76 111.20 3k3s s ALA 17 Ca 0.22 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 3k3s s ALA 17 Cb 0.19 0.89 -0.09 0.00 0.00 0.00 0.00 23.12 24.11 3k3s s ALA 17 CO 0.53 -0.84 1.97 -0.51 0.00 0.00 0.00 175.76 176.91 3k3s s ASP 18 N -2.91 6.40 -0.15 0.00 1.01 -1.26 -3.79 116.67 115.98 3k3s s ASP 18 Ca 0.12 2.62 -0.02 0.00 0.71 0.00 0.00 52.55 55.98 3k3s s ASP 18 Cb -0.02 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3k3s s ASP 18 CO 0.01 -1.10 -0.08 -0.76 0.21 0.00 0.00 175.17 173.45 3k3s s LEU 19 N 4.64 2.98 0.38 1.23 1.43 -0.37 -4.91 118.68 124.06 3k3s s LEU 19 Ca 0.89 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.56 3k3s s LEU 19 Cb -0.42 -1.70 -0.10 0.00 0.03 0.00 0.00 46.19 44.00 3k3s s LEU 19 CO 0.41 0.15 0.86 0.00 0.23 0.00 0.00 176.35 178.00 3k3s s ALA 20 N 0.43 3.17 0.25 4.21 0.00 -1.26 -1.01 121.76 127.55 3k3s s ALA 20 Ca -0.07 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.86 3k3s s ALA 20 Cb -0.15 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 19.83 3k3s s ALA 20 CO 0.04 0.22 0.93 -1.91 0.00 0.00 0.00 175.76 175.04 3k3s n GLU 21 N -0.43 1.01 -0.13 0.00 2.13 -1.25 -1.88 120.64 120.09 3k3s n GLU 21 Ca 0.05 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.23 3k3s n GLU 21 Cb 0.53 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.57 3k3s n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k3s n GLY 22 N 1.52 1.40 3.73 8.31 0.00 0.47 -4.94 105.19 115.67 3k3s n GLY 22 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3k3s n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k3s s THR 23 N -2.66 2.59 -0.49 2.61 2.01 -0.79 -4.66 115.64 114.25 3k3s s THR 23 Ca 0.00 0.45 -0.22 0.00 0.31 0.00 0.00 61.69 62.23 3k3s s THR 23 Cb 0.00 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.26 3k3s s THR 23 CO 0.00 0.05 0.78 -1.61 -0.69 0.00 0.00 174.62 173.15 3k3s s GLU 24 N 0.60 3.30 -0.15 4.92 2.02 -1.26 -0.94 118.70 127.19 3k3s s GLU 24 Ca 0.66 -0.36 -0.18 0.00 0.02 0.00 0.00 54.97 55.11 3k3s s GLU 24 Cb -0.43 -4.01 -0.04 0.00 0.10 0.00 0.00 34.13 29.75 3k3s s GLU 24 CO 0.36 -1.24 0.49 0.08 0.02 0.00 0.00 175.26 174.97 3k3s s VAL 25 N 3.29 5.16 -0.63 2.63 1.01 0.13 -4.88 120.40 127.11 3k3s s VAL 25 Ca 0.26 0.95 -0.24 0.00 0.00 0.00 0.00 61.98 62.95 3k3s s VAL 25 Cb -0.14 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.47 3k3s s VAL 25 CO 0.19 0.27 1.01 -0.55 0.00 0.00 0.00 175.10 176.02 3k3s s SER 26 N 0.83 6.24 -0.37 3.32 0.15 -1.26 0.17 113.70 122.78 3k3s s SER 26 Ca 0.25 -0.65 -0.11 0.00 0.70 0.00 0.00 55.95 56.14 3k3s s SER 26 Cb -0.15 -2.45 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 3k3s s SER 26 CO 0.10 -1.43 0.21 -0.69 1.20 0.00 0.00 173.24 172.63 3k3s s VAL 27 N 4.31 4.67 0.00 4.45 1.01 -0.29 -4.93 120.40 129.62 3k3s s VAL 27 Ca 0.28 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3k3s s VAL 27 Cb -0.14 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3k3s s VAL 27 CO 0.15 -0.22 0.00 0.47 0.00 0.00 0.00 175.10 175.50 3k3s n ASP 28 N 5.02 0.00 -1.13 3.32 8.00 -1.26 -0.71 116.55 129.79 3k3s n ASP 28 Ca -0.12 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.46 3k3s n ASP 28 Cb 0.46 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.84 3k3s n ASP 28 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3k3s n ASN 29 N 6.43 4.09 -4.97 -2.24 3.02 -1.26 -4.96 115.26 115.37 3k3s n ASN 29 Ca 0.00 -2.60 -0.20 0.00 -0.03 0.00 0.00 54.58 51.76 3k3s n ASN 29 Cb 0.00 -0.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.69 3k3s n ASN 29 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3k3s s GLN 30 N -2.09 2.51 -0.06 3.52 -1.52 0.11 -5.14 119.66 117.00 3k3s s GLN 30 Ca 0.41 -1.55 0.02 0.00 -1.95 0.00 0.00 55.36 52.30 3k3s s GLN 30 Cb 0.29 -2.55 0.01 0.00 -0.22 0.00 0.00 33.01 30.55 3k3s s GLN 30 CO 0.16 -0.50 -0.11 0.99 -0.25 0.00 0.00 175.29 175.57 3k3s s THR 31 N -2.54 1.05 -0.17 -0.19 2.01 -1.26 -1.13 115.64 113.40 3k3s s THR 31 Ca 0.53 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.10 3k3s s THR 31 Cb -0.06 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.50 3k3s s THR 31 CO 0.32 0.33 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.70 3k3s s VAL 32 N 0.61 2.22 -0.24 3.82 1.01 0.13 -4.92 120.40 123.03 3k3s s VAL 32 Ca -0.13 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 3k3s s VAL 32 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3k3s s VAL 32 CO 0.03 0.53 0.48 -0.89 0.00 0.00 0.00 175.10 175.25 3k3s s THR 33 N 1.09 5.11 0.28 3.92 2.01 -1.26 0.21 115.64 127.00 3k3s s THR 33 Ca -0.00 0.82 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 3k3s s THR 33 Cb -0.14 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.47 3k3s s THR 33 CO -0.07 0.14 1.28 -0.76 -0.69 0.00 0.00 174.62 174.51 3k3s s LEU 34 N 2.01 4.44 -0.01 4.42 1.43 -0.11 -4.38 118.68 126.49 3k3s s LEU 34 Ca 0.20 2.53 0.19 0.00 -1.03 0.00 0.00 54.13 56.02 3k3s s LEU 34 Cb -0.15 -3.63 -0.24 0.00 0.03 0.00 0.00 46.19 42.19 3k3s s LEU 34 CO 0.09 -0.47 0.65 0.54 0.23 0.00 0.00 176.35 177.39 3k3s n ARG 35 N 1.47 0.75 -4.12 1.70 1.74 -0.17 -0.40 116.66 117.64 3k3s n ARG 35 Ca 0.02 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.93 3k3s n ARG 35 Cb 0.42 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 30.37 3k3s n ARG 35 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k3s s GLN 36 N -2.97 1.10 0.37 5.56 1.11 -1.26 -4.84 119.66 118.72 3k3s s GLN 36 Ca 0.02 -1.43 -0.28 0.00 0.01 0.00 0.00 55.36 53.67 3k3s s GLN 36 Cb 0.13 0.29 -0.11 0.00 -1.01 0.00 0.00 33.01 32.31 3k3s s GLN 36 CO 0.78 -0.36 1.47 -0.25 0.01 0.00 0.00 175.29 176.94 3k3s n ASP 37 N -0.19 3.68 -3.93 5.90 8.00 -1.26 -3.78 116.55 124.96 3k3s n ASP 37 Ca -0.03 1.22 -0.30 0.00 0.71 0.00 0.00 54.79 56.38 3k3s n ASP 37 Cb 0.64 -1.60 -0.15 0.00 -0.02 0.00 0.00 41.12 39.98 3k3s n ASP 37 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3k3s s VAL 38 N -1.04 1.60 0.87 2.53 1.01 -0.18 -4.82 120.40 120.37 3k3s s VAL 38 Ca 0.54 -1.50 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 3k3s s VAL 38 Cb -0.49 -1.98 0.12 0.00 0.00 0.00 0.00 36.38 34.04 3k3s s VAL 38 CO 0.63 -0.30 1.16 0.00 0.00 0.00 0.00 175.10 176.59 3k3s s ALA 39 N 1.32 1.63 0.20 5.51 0.00 -1.26 -1.24 121.76 127.92 3k3s s ALA 39 Ca 0.00 0.66 -0.33 0.00 0.00 0.00 0.00 51.96 52.30 3k3s s ALA 39 Cb -0.19 -3.46 -0.13 0.00 0.00 0.00 0.00 23.12 19.35 3k3s s ALA 39 CO -0.10 -2.56 1.62 -2.13 0.00 0.00 0.00 175.76 172.59 3k3s n ARG 40 N -3.89 2.41 -0.18 0.00 0.63 -1.25 -1.82 116.66 112.56 3k3s n ARG 40 Ca 0.12 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 3k3s n ARG 40 Cb 0.52 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.77 3k3s n ARG 40 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k3s n GLY 41 N 3.41 1.56 3.93 5.14 0.00 0.11 -4.95 105.19 114.39 3k3s n GLY 41 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 3k3s n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k3s s HIS 42 N -2.81 3.13 0.17 1.61 3.76 -0.76 -4.77 115.29 115.62 3k3s s HIS 42 Ca 0.00 0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 55.33 3k3s s HIS 42 Cb 0.00 -2.77 -0.05 0.00 1.11 0.00 0.00 32.58 30.86 3k3s s HIS 42 CO 0.00 -0.89 0.40 0.15 -0.85 0.00 0.00 174.74 173.55 3k3s s LYS 43 N -4.95 3.60 0.04 1.40 1.02 -1.26 -0.99 119.74 118.60 3k3s s LYS 43 Ca 0.55 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 56.40 3k3s s LYS 43 Cb -0.10 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3k3s s LYS 43 CO 0.43 0.43 -0.04 -0.59 -0.92 0.00 0.00 175.35 174.66 3k3s s PHE 44 N -1.74 0.48 0.01 3.18 -0.71 -0.22 -1.64 117.98 117.33 3k3s s PHE 44 Ca 0.41 -0.80 -0.30 0.00 -1.04 0.00 0.00 56.93 55.20 3k3s s PHE 44 Cb -0.12 -0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.33 3k3s s PHE 44 CO 0.26 -0.26 1.00 0.00 -1.34 0.00 0.00 175.22 174.88 3k3s s ALA 45 N -2.74 3.18 -0.18 1.99 0.00 -0.40 -1.24 121.76 122.37 3k3s s ALA 45 Ca -0.03 0.56 0.17 0.00 0.00 0.00 0.00 51.96 52.67 3k3s s ALA 45 Cb -0.01 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.80 3k3s s ALA 45 CO -0.05 -0.24 1.28 -0.07 0.00 0.00 0.00 175.76 176.68 3k3s h LEU 46 N 6.79 0.00 -8.45 0.00 3.38 -1.30 0.12 115.31 115.85 3k3s h LEU 46 Ca -0.41 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 3k3s h LEU 46 Cb 1.22 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 3k3s h LEU 46 CO 0.75 0.43 -0.37 0.28 0.09 0.00 0.00 178.44 179.62 3k3s s THR 47 N -3.01 0.00 0.33 0.22 -1.32 -1.25 -4.77 115.64 105.85 3k3s s THR 47 Ca 0.02 -1.72 -0.29 0.00 -1.21 0.00 0.00 61.69 58.50 3k3s s THR 47 Cb 0.08 -2.38 -0.11 0.00 -1.51 0.00 0.00 72.50 68.58 3k3s s THR 47 CO 0.76 0.00 1.39 -1.81 -2.21 0.00 0.00 174.62 172.75 3k3s s ASP 48 N -3.11 6.61 -0.19 8.08 1.01 -1.26 -3.57 116.67 124.23 3k3s s ASP 48 Ca 0.31 2.81 0.01 0.00 0.71 0.00 0.00 52.55 56.39 3k3s s ASP 48 Cb 0.03 -2.65 0.04 0.00 1.01 0.00 0.00 42.92 41.35 3k3s s ASP 48 CO 0.12 -0.68 -0.10 -0.63 0.21 0.00 0.00 175.17 174.10 3k3s s ILE 49 N -0.96 1.55 0.51 0.77 1.01 0.37 -4.91 121.20 119.55 3k3s s ILE 49 Ca 0.52 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 3k3s s ILE 49 Cb -0.42 -1.64 -0.07 0.00 0.01 0.00 0.00 42.46 40.34 3k3s s ILE 49 CO 0.55 0.18 1.10 0.00 0.00 0.00 0.00 174.94 176.77 3k3s s ALA 50 N 1.44 2.81 0.13 9.38 0.00 -1.26 -0.00 121.76 134.25 3k3s s ALA 50 Ca -0.01 0.77 -0.34 0.00 0.00 0.00 0.00 51.96 52.38 3k3s s ALA 50 Cb -0.16 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 3k3s s ALA 50 CO -0.08 -0.59 1.17 1.17 0.00 0.00 0.00 175.76 177.42 3k3s n LYS 51 N -1.02 0.97 0.00 0.00 4.81 -1.25 -0.72 118.16 120.96 3k3s n LYS 51 Ca 0.10 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3k3s n LYS 51 Cb 0.51 -1.86 0.00 0.00 0.02 0.00 0.00 35.03 33.70 3k3s n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k3s n GLY 52 N 2.09 3.01 3.80 3.14 0.00 0.57 -4.93 105.19 112.86 3k3s n GLY 52 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3k3s n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3s s ALA 53 N -1.31 2.86 0.31 4.61 0.00 0.11 -4.47 121.76 123.87 3k3s s ALA 53 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3k3s s ALA 53 Cb 0.00 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 3k3s s ALA 53 CO 0.00 -0.36 1.41 -0.80 0.00 0.00 0.00 175.76 176.01 3k3s s ASN 54 N -2.02 6.61 -0.10 0.00 0.02 -1.26 -1.17 114.94 117.02 3k3s s ASN 54 Ca 0.67 2.78 -0.30 0.00 -1.02 0.00 0.00 52.86 55.00 3k3s s ASN 54 Cb -0.17 -2.64 -0.02 0.00 0.02 0.00 0.00 41.25 38.44 3k3s s ASN 54 CO 0.21 -0.70 1.19 -0.69 0.02 0.00 0.00 177.10 177.14 3k3s s VAL 55 N -0.66 4.33 -0.20 1.60 1.01 -0.26 -4.84 120.40 121.37 3k3s s VAL 55 Ca 0.54 1.64 -0.04 0.00 0.00 0.00 0.00 61.98 64.12 3k3s s VAL 55 Cb -0.43 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 3k3s s VAL 55 CO 0.51 -0.05 -0.04 -0.63 0.00 0.00 0.00 175.10 174.90 3k3s s ILE 56 N 2.58 3.47 -0.03 2.22 -1.09 -1.26 -1.37 121.20 125.72 3k3s s ILE 56 Ca 0.54 -0.47 -0.05 0.00 -2.23 0.00 0.00 60.65 58.45 3k3s s ILE 56 Cb -0.23 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 38.10 3k3s s ILE 56 CO 0.19 0.44 0.11 -0.75 -1.23 0.00 0.00 174.94 173.70 3k3s s LYS 57 N 1.23 0.24 -0.50 2.79 2.20 -0.42 -1.94 119.74 123.33 3k3s s LYS 57 Ca 0.03 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 3k3s s LYS 57 Cb -0.14 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 3k3s s LYS 57 CO -0.01 -0.04 0.00 0.66 -0.36 0.00 0.00 175.35 175.60 3k3s n TYR 58 N 2.53 0.00 -0.81 4.03 4.01 -1.26 -1.12 117.16 124.54 3k3s n TYR 58 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3k3s n TYR 58 Cb 0.58 -2.29 0.00 0.00 -0.31 0.00 0.00 39.34 37.31 3k3s n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k3s n GLY 59 N 0.60 0.94 3.75 2.72 0.00 -1.26 -4.90 105.19 107.04 3k3s n GLY 59 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 3k3s n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k3s s LEU 60 N 0.00 3.66 -0.43 0.99 1.43 -0.28 -5.00 118.68 119.05 3k3s s LEU 60 Ca 0.00 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.67 3k3s s LEU 60 Cb 0.00 -2.33 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3k3s s LEU 60 CO 0.00 0.13 1.21 -2.16 0.23 0.00 0.00 176.35 175.76 3k3s s PRO 61 N -2.67 3.73 0.00 1.29 0.04 -1.26 -1.30 135.00 134.83 3k3s s PRO 61 Ca 0.29 0.76 0.21 0.00 0.04 0.00 0.00 61.00 62.29 3k3s s PRO 61 Cb -0.11 -3.92 -0.15 0.00 0.04 0.00 0.00 34.50 30.36 3k3s s PRO 61 CO 0.21 -1.37 0.93 0.44 0.04 0.00 0.00 177.00 177.26 3k3s n ILE 62 N 6.77 0.00 -2.95 0.56 -5.35 -0.47 -4.95 119.36 112.97 3k3s n ILE 62 Ca 0.13 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3k3s n ILE 62 Cb 0.48 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 3k3s n ILE 62 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k3s n GLY 63 N 1.45 -0.56 3.26 3.28 0.00 -1.23 -0.04 105.19 111.35 3k3s n GLY 63 Ca 0.06 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 3k3s n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k3s s TYR 64 N -3.12 0.23 -0.03 1.61 1.13 -0.84 -1.10 117.35 115.23 3k3s s TYR 64 Ca 0.00 -0.64 -0.30 0.00 -1.41 0.00 0.00 57.07 54.72 3k3s s TYR 64 Cb 0.00 -0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.78 3k3s s TYR 64 CO 0.00 -0.61 1.01 0.00 -2.51 0.00 0.00 175.55 173.44 3k3s s ALA 65 N -3.90 3.26 -0.52 9.51 0.00 -0.31 -1.53 121.76 128.27 3k3s s ALA 65 Ca 0.09 0.51 0.26 0.00 0.00 0.00 0.00 51.96 52.82 3k3s s ALA 65 Cb 0.04 -3.38 0.79 0.00 0.00 0.00 0.00 23.12 20.57 3k3s s ALA 65 CO -0.07 -0.38 1.75 -0.07 0.00 0.00 0.00 175.76 176.99 3k3s h LEU 66 N 7.24 0.00 -7.93 0.00 3.38 -1.20 0.16 115.31 116.96 3k3s h LEU 66 Ca -0.38 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.60 3k3s h LEU 66 Cb 1.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 3k3s h LEU 66 CO 0.79 0.00 0.09 0.00 0.09 0.00 0.00 178.44 179.41 3k3s s ALA 67 N -3.23 -0.92 0.32 1.53 0.00 -1.26 -4.84 121.76 113.37 3k3s s ALA 67 Ca 0.08 -0.40 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 3k3s s ALA 67 Cb 0.10 0.91 -0.12 0.00 0.00 0.00 0.00 23.12 24.01 3k3s s ALA 67 CO 0.57 -0.92 1.45 -0.25 0.00 0.00 0.00 175.76 176.61 3k3s n ASP 68 N -0.41 3.35 -4.10 0.00 8.00 -1.26 -3.78 116.55 118.35 3k3s n ASP 68 Ca -0.05 1.18 -0.28 0.00 0.71 0.00 0.00 54.79 56.34 3k3s n ASP 68 Cb 0.61 -1.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.00 3k3s n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3s s ILE 69 N -0.59 1.58 0.19 0.53 1.01 1.00 -4.87 121.20 120.04 3k3s s ILE 69 Ca 0.60 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 60.42 3k3s s ILE 69 Cb -0.54 -1.40 -0.07 0.00 0.01 0.00 0.00 42.46 40.46 3k3s s ILE 69 CO 0.56 0.45 0.52 0.00 0.00 0.00 0.00 174.94 176.48 3k3s s ALA 70 N 0.65 3.60 0.06 9.38 0.00 -1.26 -0.48 121.76 133.70 3k3s s ALA 70 Ca -0.14 -0.27 -0.38 0.00 0.00 0.00 0.00 51.96 51.18 3k3s s ALA 70 Cb -0.16 -2.42 -0.18 0.00 0.00 0.00 0.00 23.12 20.35 3k3s s ALA 70 CO 0.04 0.51 1.12 0.00 0.00 0.00 0.00 175.76 177.43 3k3s n ALA 71 N 0.22 -2.56 0.00 0.00 0.00 -1.23 -1.61 120.51 115.34 3k3s n ALA 71 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3k3s n ALA 71 Cb 0.52 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3k3s n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3s n GLY 72 N 1.88 0.45 3.77 0.00 0.00 0.43 -4.82 105.19 106.89 3k3s n GLY 72 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3k3s n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k3s s GLU 73 N -0.90 4.28 0.19 1.61 2.02 -0.63 -1.00 118.70 124.27 3k3s s GLU 73 Ca 0.00 1.63 -0.32 0.00 0.02 0.00 0.00 54.97 56.30 3k3s s GLU 73 Cb 0.00 -2.74 -0.12 0.00 0.10 0.00 0.00 34.13 31.37 3k3s s GLU 73 CO 0.00 -0.06 1.76 -1.58 0.02 0.00 0.00 175.26 175.39 3k3s s HIS 74 N -1.49 2.69 -0.26 1.61 5.65 -1.26 -1.27 115.29 120.96 3k3s s HIS 74 Ca 0.54 0.24 -0.05 0.00 0.25 0.00 0.00 55.06 56.04 3k3s s HIS 74 Cb -0.26 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 26.99 3k3s s HIS 74 CO 0.33 -4.49 0.01 0.08 -0.65 0.00 0.00 174.74 170.02 3k3s s VAL 75 N 1.62 3.57 0.00 0.89 1.01 -0.65 -4.89 120.40 121.94 3k3s s VAL 75 Ca 0.77 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3k3s s VAL 75 Cb -0.49 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.15 3k3s s VAL 75 CO 0.33 0.24 0.00 1.57 0.00 0.00 0.00 175.10 177.25 3k3s n HIS 76 N 4.81 -0.23 0.32 5.22 -0.00 -1.26 -4.05 115.22 120.02 3k3s n HIS 76 Ca -0.16 0.00 0.21 0.00 -0.00 0.00 0.00 57.72 57.77 3k3s n HIS 76 Cb 0.49 0.00 1.07 0.00 -0.00 0.00 0.00 29.99 31.55 3k3s n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k3s h ALA 77 N 1.90 1.00 -0.00 1.57 0.00 -1.98 -1.05 119.26 120.70 3k3s h ALA 77 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3k3s h ALA 77 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k3s h ALA 77 CO 0.00 0.00 -0.74 1.12 0.00 0.00 0.00 179.25 179.63 3k3s h HIS 78 N 0.00 0.04 0.00 0.00 -0.00 -1.96 -3.36 115.15 109.86 3k3s h HIS 78 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3k3s h HIS 78 Cb 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3k3s h HIS 78 CO 0.00 0.75 0.00 0.27 -0.00 0.00 0.00 177.93 178.95 3k3s n ASN 79 N -3.68 0.74 -3.97 3.10 0.23 -1.06 -4.96 115.26 105.67 3k3s n ASN 79 Ca -0.01 -1.08 -0.09 0.00 -0.53 0.00 0.00 54.58 52.87 3k3s n ASN 79 Cb 0.72 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.32 3k3s n ASN 79 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3k3s s THR 80 N -0.08 0.14 -0.11 5.53 -4.23 -0.42 -0.61 115.64 115.85 3k3s s THR 80 Ca 0.00 -1.12 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 3k3s s THR 80 Cb 0.00 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.06 3k3s s THR 80 CO 0.00 -0.62 -0.05 -0.60 -0.54 0.00 0.00 174.62 172.82 3k3s s ARG 81 N -2.34 3.21 0.10 3.99 6.06 -0.58 -4.29 118.95 125.10 3k3s s ARG 81 Ca -0.07 -0.52 -0.11 0.00 -2.50 0.00 0.00 55.73 52.52 3k3s s ARG 81 Cb -0.03 -2.76 -0.06 0.00 0.06 0.00 0.00 34.95 32.16 3k3s s ARG 81 CO -0.04 0.47 0.45 0.99 -2.50 0.00 0.00 175.30 174.68 3k3s s THR 82 N -0.27 5.01 -0.10 4.11 2.01 -1.26 -1.99 115.64 123.16 3k3s s THR 82 Ca 0.04 0.57 0.14 0.00 0.31 0.00 0.00 61.69 62.75 3k3s s THR 82 Cb -0.13 -3.67 0.27 0.00 0.01 0.00 0.00 72.50 68.98 3k3s s THR 82 CO 0.02 0.27 1.13 -3.20 -0.69 0.00 0.00 174.62 172.15 3k3s n ASN 83 N 0.85 1.45 0.00 3.53 2.85 0.94 -4.94 115.26 119.94 3k3s n ASN 83 Ca -0.07 -2.85 0.00 0.00 -0.11 0.00 0.00 54.58 51.55 3k3s n ASN 83 Cb 0.52 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.16 3k3s n ASN 83 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33