#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s HIS 3 N 0.00 3.17 -0.39 0.00 0.09 -1.26 -5.05 115.29 111.86 3knm s HIS 3 Ca 0.00 -0.06 -0.15 0.00 -0.00 0.00 0.00 55.06 54.85 3knm s HIS 3 Cb 0.00 -2.90 0.01 0.00 -0.00 0.00 0.00 32.58 29.68 3knm s HIS 3 CO 0.00 -0.60 0.31 0.21 -0.00 0.00 0.00 174.74 174.66 3knm s LYS 4 N 2.28 3.15 0.56 1.40 2.20 -1.26 -5.08 119.74 122.99 3knm s LYS 4 Ca 0.15 -0.86 -0.21 0.00 -0.36 0.00 0.00 55.97 54.70 3knm s LYS 4 Cb -0.16 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.19 3knm s LYS 4 CO 0.14 -0.67 1.24 1.63 -0.36 0.00 0.00 175.35 177.32 3knm n LYS 5 N 5.22 1.43 -2.37 4.03 4.76 -1.26 -4.98 118.16 124.98 3knm n LYS 5 Ca -0.11 0.53 -0.41 0.00 -2.87 0.00 0.00 58.31 55.45 3knm n LYS 5 Cb 0.48 -2.44 -0.04 0.00 -1.84 0.00 0.00 35.03 31.19 3knm n LYS 5 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3knm s GLY 6 N -1.02 2.79 0.45 0.72 0.00 -1.26 -5.04 107.32 103.95 3knm s GLY 6 Ca 0.73 0.97 0.04 0.00 0.00 0.00 0.00 44.72 46.46 3knm s GLY 6 CO 0.48 1.78 0.03 1.08 0.00 0.00 0.00 173.10 176.47 3knm s LEU 7 N -0.65 2.41 0.00 0.66 1.02 -1.26 -5.17 118.68 115.69 3knm s LEU 7 Ca 0.51 -1.54 0.00 0.00 0.02 0.00 0.00 54.13 53.11 3knm s LEU 7 Cb -0.33 -0.65 0.00 0.00 0.02 0.00 0.00 46.19 45.23 3knm s LEU 7 CO 0.39 -0.72 0.00 0.61 0.02 0.00 0.00 176.35 176.65 3knm n GLY 8 N -1.06 5.44 3.35 -3.19 0.00 -1.26 -5.18 105.19 103.29 3knm n GLY 8 Ca -0.11 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 3knm n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3knm s SER 9 N 1.00 1.47 0.27 1.61 0.15 -1.26 -5.16 113.70 111.78 3knm s SER 9 Ca 0.00 -1.40 0.08 0.00 0.70 0.00 0.00 55.95 55.33 3knm s SER 9 Cb 0.00 0.14 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 3knm s SER 9 CO 0.00 -0.72 0.15 -0.89 1.20 0.00 0.00 173.24 172.97 3knm s THR 10 N -3.65 3.91 -0.55 6.45 2.01 -1.26 -5.02 115.64 117.53 3knm s THR 10 Ca 0.37 -1.57 0.07 0.00 0.31 0.00 0.00 61.69 60.87 3knm s THR 10 Cb 0.08 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3knm s THR 10 CO 0.14 -0.32 0.45 0.54 -0.69 0.00 0.00 174.62 174.75 3knm n ARG 11 N -1.12 2.99 0.00 4.92 1.74 -1.26 -4.97 116.66 118.96 3knm n ARG 11 Ca -0.06 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.66 3knm n ARG 11 Cb 0.59 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 3knm n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3knm n ASN 12 N -0.55 0.00 -2.78 0.55 5.03 -1.26 -4.89 115.26 111.36 3knm n ASN 12 Ca 0.02 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.26 3knm n ASN 12 Cb 0.13 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 38.92 3knm n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3knm n GLY 13 N 5.00 -0.45 3.49 7.41 0.00 -1.26 -5.02 105.19 114.37 3knm n GLY 13 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3knm n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knm s ARG 14 N -5.56 1.73 0.00 1.61 0.52 -1.26 -5.15 118.95 110.83 3knm s ARG 14 Ca 0.25 -1.96 0.00 0.00 -0.52 0.00 0.00 55.73 53.51 3knm s ARG 14 Cb -0.11 -1.10 0.00 0.00 0.52 0.00 0.00 34.95 34.26 3knm s ARG 14 CO 0.31 -0.13 0.00 -3.47 0.02 0.00 0.00 175.30 172.03 3knm n ASP 15 N -0.75 0.00 -4.11 0.23 -0.08 -1.26 -5.14 116.55 105.43 3knm n ASP 15 Ca -0.03 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.93 3knm n ASP 15 Cb 0.66 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.96 3knm n ASP 15 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3knm s SER 16 N 0.00 3.03 0.06 1.67 0.01 -1.26 -5.09 113.70 112.12 3knm s SER 16 Ca 0.00 -0.61 -0.37 0.00 1.31 0.00 0.00 55.95 56.28 3knm s SER 16 Cb 0.00 -1.41 -0.16 0.00 0.21 0.00 0.00 66.02 64.65 3knm s SER 16 CO 0.00 0.01 1.39 0.00 0.41 0.00 0.00 173.24 175.05 3knm n GLN 17 N 4.52 1.19 -1.48 12.44 -0.00 -1.26 -4.81 117.38 127.98 3knm n GLN 17 Ca -0.20 0.43 -0.46 0.00 -0.00 0.00 0.00 57.00 56.77 3knm n GLN 17 Cb 0.50 -2.08 -0.02 0.00 -0.00 0.00 0.00 30.24 28.64 3knm n GLN 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3knm n ALA 18 N 2.83 -1.71 1.27 2.61 0.00 -1.26 -4.88 120.51 119.36 3knm n ALA 18 Ca 0.19 0.40 0.13 0.00 0.00 0.00 0.00 53.44 54.16 3knm n ALA 18 Cb 0.19 -1.79 0.33 0.00 0.00 0.00 0.00 19.45 18.18 3knm n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knm n LYS 19 N 0.87 1.95 -3.23 0.00 4.76 -1.26 -5.01 118.16 116.24 3knm n LYS 19 Ca 0.14 -1.40 -0.23 0.00 -2.87 0.00 0.00 58.31 53.95 3knm n LYS 19 Cb 0.29 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 32.03 3knm n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3knm n ARG 20 N 0.69 -1.98 -2.30 1.97 1.74 -1.26 -5.00 116.66 110.52 3knm n ARG 20 Ca 0.17 1.65 -0.12 0.00 -0.77 0.00 0.00 57.85 58.78 3knm n ARG 20 Cb 0.47 -3.20 0.02 0.00 -1.02 0.00 0.00 32.46 28.73 3knm n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3knm n LEU 21 N 0.01 0.00 0.00 0.55 4.77 -1.26 -5.00 117.00 116.07 3knm n LEU 21 Ca -0.01 -1.43 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 3knm n LEU 21 Cb 0.55 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3knm n LEU 21 CO 0.47 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 3knm n GLY 22 N 1.23 0.26 3.68 -0.72 0.00 0.38 -4.93 105.19 105.09 3knm n GLY 22 Ca 0.06 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 3knm n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knm s VAL 23 N -0.32 4.26 -0.13 1.61 1.01 -1.26 0.85 120.40 126.41 3knm s VAL 23 Ca 0.00 1.58 0.22 0.00 0.00 0.00 0.00 61.98 63.78 3knm s VAL 23 Cb 0.00 -4.02 -0.17 0.00 0.00 0.00 0.00 36.38 32.19 3knm s VAL 23 CO 0.00 -0.02 0.75 0.29 0.00 0.00 0.00 175.10 176.12 3knm n LYS 24 N 5.37 0.63 -4.26 2.72 4.76 0.27 -4.87 118.16 122.78 3knm n LYS 24 Ca 0.11 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.32 3knm n LYS 24 Cb 0.46 -1.67 -0.16 0.00 -1.84 0.00 0.00 35.03 31.81 3knm n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3knm s ARG 25 N -3.40 1.01 0.43 1.97 1.81 -0.47 -4.97 118.95 115.33 3knm s ARG 25 Ca -0.04 -0.17 0.02 0.00 -1.72 0.00 0.00 55.73 53.82 3knm s ARG 25 Cb 0.12 -0.95 0.00 0.00 -0.45 0.00 0.00 34.95 33.67 3knm s ARG 25 CO 0.85 -0.05 0.62 0.71 -0.68 0.00 0.00 175.30 176.75 3knm s TYR 26 N 0.83 3.13 0.12 -0.53 1.51 -1.26 -4.89 117.35 116.27 3knm s TYR 26 Ca -0.12 0.05 -0.31 0.00 -1.01 0.00 0.00 57.07 55.68 3knm s TYR 26 Cb -0.15 -2.28 -0.10 0.00 -0.11 0.00 0.00 41.96 39.32 3knm s TYR 26 CO 0.01 -0.33 1.86 -1.91 -1.11 0.00 0.00 175.55 174.07 3knm n GLU 27 N -1.98 2.84 0.00 -0.62 2.13 -1.26 -2.42 120.64 119.33 3knm n GLU 27 Ca 0.02 1.03 0.00 0.00 0.66 0.00 0.00 57.16 58.87 3knm n GLU 27 Cb 0.58 -2.94 0.00 0.00 0.27 0.00 0.00 31.44 29.35 3knm n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knm n GLY 28 N 4.28 1.01 3.66 8.31 0.00 0.09 -4.95 105.19 117.59 3knm n GLY 28 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3knm n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knm s GLN 29 N -0.94 4.06 0.31 1.61 -0.21 -1.01 -4.83 119.66 118.65 3knm s GLN 29 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.36 54.80 3knm s GLN 29 Cb 0.00 -3.38 -0.10 0.00 1.00 0.00 0.00 33.01 30.53 3knm s GLN 29 CO 0.00 0.20 1.31 0.14 -2.12 0.00 0.00 175.29 174.82 3knm s VAL 30 N 0.62 2.77 0.01 1.09 -7.23 -1.26 -2.32 120.40 114.08 3knm s VAL 30 Ca 0.06 0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 60.85 3knm s VAL 30 Cb -0.12 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.35 3knm s VAL 30 CO 0.01 0.17 0.29 0.68 -0.31 0.00 0.00 175.10 175.94 3knm s VAL 31 N -0.97 0.07 0.15 1.32 -7.23 -0.74 -4.97 120.40 108.03 3knm s VAL 31 Ca 0.50 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 60.11 3knm s VAL 31 Cb -0.39 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 3knm s VAL 31 CO 0.51 -0.32 0.30 -0.13 -0.31 0.00 0.00 175.10 175.16 3knm s ARG 32 N -1.76 3.46 0.31 4.82 0.52 -1.26 -2.13 118.95 122.92 3knm s ARG 32 Ca -0.11 -0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 54.32 3knm s ARG 32 Cb -0.04 -2.94 -0.13 0.00 0.52 0.00 0.00 34.95 32.36 3knm s ARG 32 CO 0.01 0.50 1.15 0.00 0.02 0.00 0.00 175.30 176.99 3knm n ALA 33 N -0.45 0.53 0.00 2.13 0.00 -1.26 -1.26 120.51 120.19 3knm n ALA 33 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3knm n ALA 33 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3knm n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 34 N 1.02 3.10 3.71 0.00 0.00 -0.61 -4.89 105.19 107.52 3knm n GLY 34 Ca 0.07 -0.92 -0.62 0.00 0.00 0.00 0.00 46.02 44.55 3knm n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knm n ASN 35 N 0.88 1.67 -4.77 1.61 4.13 -0.39 -4.44 115.26 113.95 3knm n ASN 35 Ca 0.00 1.13 -0.39 0.00 1.68 0.00 0.00 54.58 57.01 3knm n ASN 35 Cb 0.00 -1.02 -0.05 0.00 -1.54 0.00 0.00 39.78 37.18 3knm n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3knm s ILE 36 N 2.87 3.78 -0.26 2.41 -5.25 -1.26 -0.08 121.20 123.42 3knm s ILE 36 Ca 1.00 1.61 -0.07 0.00 -0.99 0.00 0.00 60.65 62.19 3knm s ILE 36 Cb -1.26 -3.95 -0.15 0.00 2.95 0.00 0.00 42.46 40.05 3knm s ILE 36 CO 0.71 0.25 -0.26 0.18 -1.79 0.00 0.00 174.94 174.03 3knm n LEU 37 N 0.77 2.40 -3.75 0.37 4.77 0.15 -4.39 117.00 117.33 3knm n LEU 37 Ca 0.01 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3knm n LEU 37 Cb 0.47 -0.87 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 3knm n LEU 37 CO 0.49 0.73 -0.10 -0.69 -1.33 0.00 0.00 177.39 176.49 3knm s VAL 38 N -2.51 -0.02 -0.24 4.08 1.01 -0.63 0.96 120.40 123.05 3knm s VAL 38 Ca -0.36 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 3knm s VAL 38 Cb 0.12 -0.38 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 3knm s VAL 38 CO 0.55 0.03 0.10 -0.13 0.00 0.00 0.00 175.10 175.66 3knm s ARG 39 N 0.78 3.82 0.04 2.72 1.81 0.25 -0.84 118.95 127.53 3knm s ARG 39 Ca -0.05 -0.40 -0.03 0.00 -1.72 0.00 0.00 55.73 53.53 3knm s ARG 39 Cb -0.07 -3.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.03 3knm s ARG 39 CO -0.05 -0.06 0.05 1.14 -0.68 0.00 0.00 175.30 175.69 3knm s GLN 40 N 1.32 0.54 0.00 3.54 -2.07 -1.26 0.14 119.66 121.87 3knm s GLN 40 Ca 0.06 -0.83 0.00 0.00 -1.82 0.00 0.00 55.36 52.77 3knm s GLN 40 Cb -0.15 0.20 0.00 0.00 -1.09 0.00 0.00 33.01 31.98 3knm s GLN 40 CO 0.05 -0.12 0.51 0.54 -1.32 0.00 0.00 175.29 174.95 3knm n ARG 41 N 0.78 0.00 0.00 9.60 3.00 -1.26 -4.77 116.66 124.01 3knm n ARG 41 Ca -0.19 0.26 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 3knm n ARG 41 Cb 0.58 -1.01 0.00 0.00 0.00 0.00 0.00 32.46 32.03 3knm n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knm n GLY 42 N -0.76 1.90 2.57 -0.13 0.00 -1.26 -4.91 105.19 102.60 3knm n GLY 42 Ca 0.00 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3knm n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3knm n THR 43 N 0.00 3.55 -0.30 2.61 5.66 -1.26 -4.71 114.28 119.82 3knm n THR 43 Ca 0.00 -3.44 0.15 0.00 -3.05 0.00 0.00 64.05 57.71 3knm n THR 43 Cb 0.00 -1.24 0.32 0.00 -1.55 0.00 0.00 70.33 67.86 3knm n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3knm h ARG 44 N 2.47 0.26 -5.19 1.09 3.08 -1.93 -3.36 114.38 110.79 3knm h ARG 44 Ca 0.56 -0.02 -0.64 0.00 0.07 0.00 0.00 59.98 59.95 3knm h ARG 44 Cb 0.47 -0.06 -0.33 0.00 0.08 0.00 0.00 29.97 30.13 3knm h ARG 44 CO 1.43 0.17 -0.87 -0.06 -1.07 0.00 0.00 179.97 179.57 3knm s PHE 45 N -5.88 2.32 0.26 3.04 0.40 -1.26 -4.56 117.98 112.30 3knm s PHE 45 Ca -0.12 -0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 55.27 3knm s PHE 45 Cb 0.26 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 3knm s PHE 45 CO 0.78 -0.38 0.48 0.15 0.70 0.00 0.00 175.22 176.95 3knm s LYS 46 N 0.39 3.56 0.00 0.44 1.02 0.51 -4.95 119.74 120.71 3knm s LYS 46 Ca -0.17 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.60 3knm s LYS 46 Cb -0.17 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.40 3knm s LYS 46 CO 0.08 0.28 0.00 -0.35 -0.92 0.00 0.00 175.35 174.44 3knm n PRO 47 N -0.98 2.57 -2.15 -1.68 -0.04 -1.26 -2.51 135.00 128.96 3knm n PRO 47 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3knm n PRO 47 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3knm n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3knm n GLY 48 N 0.00 0.03 3.52 0.55 0.00 -1.17 -3.17 105.19 104.95 3knm n GLY 48 Ca 0.00 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 3knm n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knm n LYS 49 N 0.00 0.49 -3.05 1.61 5.02 -1.26 -1.60 118.16 119.37 3knm n LYS 49 Ca 0.00 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 3knm n LYS 49 Cb 0.00 -2.45 0.06 0.00 -0.02 0.00 0.00 35.03 32.62 3knm n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3knm n ASN 50 N 13.12 -2.86 -3.69 4.39 3.02 -1.26 -0.23 115.26 127.74 3knm n ASN 50 Ca 0.52 -0.41 -0.12 0.00 -0.03 0.00 0.00 54.58 54.54 3knm n ASN 50 Cb 0.29 -3.64 -0.12 0.00 -0.61 0.00 0.00 39.78 35.69 3knm n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3knm s VAL 51 N -3.24 -0.21 0.32 2.41 1.01 -0.63 -2.78 120.40 117.28 3knm s VAL 51 Ca 0.11 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.33 3knm s VAL 51 Cb -0.05 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.80 3knm s VAL 51 CO 0.50 0.08 -0.00 -0.83 0.00 0.00 0.00 175.10 174.84 3knm s GLY 52 N 1.79 2.03 -0.01 4.51 0.00 -1.10 -3.05 107.32 111.49 3knm s GLY 52 Ca -0.05 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.64 3knm s GLY 52 CO -0.10 -1.87 -0.00 -3.16 0.00 0.00 0.00 173.10 167.97 3knm s MET 53 N -3.79 0.10 0.28 2.90 0.23 -1.26 -0.94 119.30 116.83 3knm s MET 53 Ca 0.33 0.02 0.02 0.00 -1.03 0.00 0.00 55.69 55.03 3knm s MET 53 Cb 0.07 -0.18 0.05 0.00 -1.53 0.00 0.00 34.83 33.24 3knm s MET 53 CO 0.14 -0.04 0.38 0.41 -2.03 0.00 0.00 175.02 173.89 3knm n GLY 54 N 3.43 1.28 0.00 3.16 0.00 -0.90 -4.86 105.19 107.30 3knm n GLY 54 Ca -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.77 3knm n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 55 N -1.67 0.00 -0.32 1.61 1.74 -1.26 0.12 116.66 116.89 3knm n ARG 55 Ca 0.07 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.18 3knm n ARG 55 Cb 0.25 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.85 3knm n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3knm n ASP 56 N -3.49 2.64 -0.41 0.55 3.85 -1.26 -4.85 116.55 113.57 3knm n ASP 56 Ca 0.00 -2.30 -0.05 0.00 -0.71 0.00 0.00 54.79 51.72 3knm n ASP 56 Cb 0.00 -0.51 -0.02 0.00 -1.35 0.00 0.00 41.12 39.24 3knm n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3knm n PHE 57 N 0.27 0.00 -2.18 2.11 3.72 0.12 -4.58 117.46 116.92 3knm n PHE 57 Ca 0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 3knm n PHE 57 Cb 0.56 -1.60 -0.03 0.00 -0.94 0.00 0.00 39.48 37.48 3knm n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3knm s THR 58 N -1.91 3.55 -0.05 4.37 2.01 -1.24 -4.51 115.64 117.86 3knm s THR 58 Ca 0.00 1.00 -0.12 0.00 0.31 0.00 0.00 61.69 62.88 3knm s THR 58 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 3knm s THR 58 CO 0.00 0.02 0.30 -0.76 -0.69 0.00 0.00 174.62 173.49 3knm s LEU 59 N 2.11 4.43 0.18 4.42 1.43 -0.02 -2.12 118.68 129.11 3knm s LEU 59 Ca 0.65 0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 54.47 3knm s LEU 59 Cb -0.34 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 3knm s LEU 59 CO 0.28 0.35 0.16 0.72 0.23 0.00 0.00 176.35 178.09 3knm s PHE 60 N -0.98 0.92 0.52 0.29 -0.12 -0.11 0.32 117.98 118.83 3knm s PHE 60 Ca 0.20 -1.21 -0.16 0.00 -0.05 0.00 0.00 56.93 55.71 3knm s PHE 60 Cb -0.15 -0.41 -0.07 0.00 -0.63 0.00 0.00 43.02 41.76 3knm s PHE 60 CO 0.09 -0.66 0.98 0.00 -0.05 0.00 0.00 175.22 175.59 3knm s ALA 61 N -4.10 3.08 0.00 1.99 0.00 0.89 -2.71 121.76 120.91 3knm s ALA 61 Ca 0.31 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3knm s ALA 61 Cb 0.06 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3knm s ALA 61 CO 0.08 -0.28 0.41 1.28 0.00 0.00 0.00 175.76 177.25 3knm n LEU 62 N -1.69 0.81 -3.65 0.00 4.77 -1.12 -1.58 117.00 114.55 3knm n LEU 62 Ca 0.06 -0.81 -0.05 0.00 -0.03 0.00 0.00 56.01 55.18 3knm n LEU 62 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 3knm n LEU 62 CO 0.48 0.20 1.02 0.54 -1.33 0.00 0.00 177.39 178.30 3knm s VAL 63 N -0.01 0.00 -0.34 4.08 0.11 -1.26 -4.77 120.40 118.21 3knm s VAL 63 Ca 0.00 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.74 3knm s VAL 63 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 3knm s VAL 63 CO 0.00 0.00 2.25 0.47 -3.33 0.00 0.00 175.10 174.49 3knm n ASP 64 N 1.85 2.55 -0.06 3.54 8.00 -1.25 -4.31 116.55 126.86 3knm n ASP 64 Ca -0.11 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.58 3knm n ASP 64 Cb 0.57 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 3knm n ASP 64 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3knm n GLY 65 N 6.17 2.63 3.60 0.44 0.00 -0.90 -3.91 105.19 113.22 3knm n GLY 65 Ca 0.37 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3knm n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knm s VAL 66 N -2.86 3.57 0.36 1.61 1.01 -0.68 -1.80 120.40 121.61 3knm s VAL 66 Ca 0.00 -1.09 -0.20 0.00 0.00 0.00 0.00 61.98 60.69 3knm s VAL 66 Cb 0.00 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.64 3knm s VAL 66 CO 0.00 0.18 0.86 -0.69 0.00 0.00 0.00 175.10 175.45 3knm s VAL 67 N -1.18 4.47 -0.29 2.92 1.01 -0.98 -1.78 120.40 124.57 3knm s VAL 67 Ca 0.21 1.36 -0.11 0.00 0.00 0.00 0.00 61.98 63.44 3knm s VAL 67 Cb -0.11 -3.70 0.12 0.00 0.00 0.00 0.00 36.38 32.69 3knm s VAL 67 CO 0.13 -0.15 0.64 -1.83 0.00 0.00 0.00 175.10 173.89 3knm s GLU 68 N -2.80 0.59 0.42 2.72 -1.05 -0.15 -0.73 118.70 117.70 3knm s GLU 68 Ca 0.56 1.37 -0.13 0.00 -0.15 0.00 0.00 54.97 56.62 3knm s GLU 68 Cb -0.12 0.67 -0.07 0.00 -0.44 0.00 0.00 34.13 34.17 3knm s GLU 68 CO 0.17 -0.19 0.82 -0.06 0.95 0.00 0.00 175.26 176.95 3knm s PHE 69 N 2.59 3.44 -0.07 4.83 0.40 -1.26 -1.02 117.98 126.90 3knm s PHE 69 Ca -0.07 1.19 -0.09 0.00 -0.60 0.00 0.00 56.93 57.36 3knm s PHE 69 Cb -0.10 -2.55 0.02 0.00 0.51 0.00 0.00 43.02 40.89 3knm s PHE 69 CO -0.19 -0.14 0.24 -1.14 0.70 0.00 0.00 175.22 174.69 3knm s GLN 70 N -3.74 0.37 -0.48 0.44 0.74 0.14 -4.96 119.66 112.16 3knm s GLN 70 Ca 0.54 0.15 -0.01 0.00 0.05 0.00 0.00 55.36 56.09 3knm s GLN 70 Cb -0.10 0.17 0.13 0.00 1.10 0.00 0.00 33.01 34.31 3knm s GLN 70 CO 0.28 -0.07 0.27 0.34 -0.55 0.00 0.00 175.29 175.57 3knm s ASP 71 N -0.30 5.09 0.00 6.67 2.15 -1.26 0.13 116.67 129.15 3knm s ASP 71 Ca -0.04 -2.43 0.05 0.00 0.43 0.00 0.00 52.55 50.56 3knm s ASP 71 Cb -0.03 -1.79 0.29 0.00 -0.30 0.00 0.00 42.92 41.08 3knm s ASP 71 CO 0.01 -0.43 0.88 0.54 -0.17 0.00 0.00 175.17 176.00 3knm n ARG 72 N 4.02 0.65 0.00 4.34 5.12 0.98 -4.96 116.66 126.82 3knm n ARG 72 Ca 0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.95 3knm n ARG 72 Cb 0.39 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.58 3knm n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knm n GLY 73 N 0.19 2.03 0.00 -0.13 0.00 -1.20 -2.66 105.19 103.42 3knm n GLY 73 Ca 0.04 -0.39 0.01 0.00 0.00 0.00 0.00 46.02 45.68 3knm n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 74 N 12.92 0.14 -0.00 1.61 5.12 -1.26 -0.56 116.66 134.63 3knm n ARG 74 Ca 0.00 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.96 3knm n ARG 74 Cb 0.00 -1.18 0.04 0.00 -1.16 0.00 0.00 32.46 30.15 3knm n ARG 74 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3knm n LEU 75 N -0.68 1.72 0.00 0.55 4.77 -1.09 -5.11 117.00 117.15 3knm n LEU 75 Ca 0.01 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3knm n LEU 75 Cb 0.01 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3knm n LEU 75 CO 0.01 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3knm n GLY 76 N 0.45 0.82 3.29 -0.72 0.00 0.27 -4.84 105.19 104.47 3knm n GLY 76 Ca 0.05 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 3knm n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knm s ARG 77 N -1.15 3.31 0.15 1.61 0.52 -1.26 -0.01 118.95 122.12 3knm s ARG 77 Ca 0.00 -0.67 0.08 0.00 -0.52 0.00 0.00 55.73 54.62 3knm s ARG 77 Cb 0.00 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.56 3knm s ARG 77 CO 0.00 -0.13 -0.10 0.71 0.02 0.00 0.00 175.30 175.80 3knm s TYR 78 N 1.26 2.66 -0.13 -0.53 1.51 0.12 -0.36 117.35 121.88 3knm s TYR 78 Ca 0.03 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 55.88 3knm s TYR 78 Cb -0.14 -1.33 0.03 0.00 -0.11 0.00 0.00 41.96 40.40 3knm s TYR 78 CO -0.04 0.48 -0.09 0.08 -1.11 0.00 0.00 175.55 174.87 3knm s VAL 79 N -1.53 1.20 0.39 0.71 1.01 -1.04 0.23 120.40 121.38 3knm s VAL 79 Ca 0.23 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3knm s VAL 79 Cb -0.10 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 3knm s VAL 79 CO 0.15 0.36 0.02 -1.00 0.00 0.00 0.00 175.10 174.62 3knm s HIS 80 N 1.63 2.52 -0.57 5.22 0.09 -0.19 -3.83 115.29 120.16 3knm s HIS 80 Ca 0.04 -0.61 0.06 0.00 -0.00 0.00 0.00 55.06 54.55 3knm s HIS 80 Cb -0.13 -1.72 0.24 0.00 -0.00 0.00 0.00 32.58 30.96 3knm s HIS 80 CO -0.09 0.44 0.63 0.28 -0.00 0.00 0.00 174.74 176.00 3knm n VAL 81 N -0.98 1.25 -1.54 -0.90 0.31 0.68 -0.97 118.33 116.17 3knm n VAL 81 Ca -0.04 -4.75 -0.40 0.00 -0.01 0.00 0.00 64.34 59.13 3knm n VAL 81 Cb 0.66 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 3knm n VAL 81 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3knm n ARG 82 N 1.24 1.19 -0.38 5.55 1.85 -0.73 -4.50 116.66 120.87 3knm n ARG 82 Ca 0.26 0.18 -0.27 0.00 -1.00 0.00 0.00 57.85 57.01 3knm n ARG 82 Cb 0.44 -3.08 0.26 0.00 -1.05 0.00 0.00 32.46 29.03 3knm n ARG 82 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3knm n PRO 83 N 8.79 -4.23 -3.80 2.89 -0.04 -1.26 -1.68 135.00 135.67 3knm n PRO 83 Ca 0.38 -1.38 -0.36 0.00 -0.04 0.00 0.00 63.50 62.10 3knm n PRO 83 Cb 0.43 -1.66 -0.12 0.00 -0.04 0.00 0.00 33.50 32.11 3knm n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3knm s LEU 84 N 0.00 3.50 0.00 1.53 1.02 -1.25 -4.71 118.68 118.77 3knm s LEU 84 Ca 0.61 -0.16 0.28 0.00 0.02 0.00 0.00 54.13 54.88 3knm s LEU 84 Cb -0.10 -1.93 1.07 0.00 0.02 0.00 0.00 46.19 45.25 3knm s LEU 84 CO 0.50 -0.00 1.75 0.00 0.02 0.00 0.00 176.35 178.62