#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knk s HIS 3 N 0.00 1.11 0.27 0.00 3.76 -1.26 -5.16 115.29 114.02 3knk s HIS 3 Ca 0.00 -0.36 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 3knk s HIS 3 Cb 0.00 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 33.09 3knk s HIS 3 CO 0.00 0.02 0.37 1.63 -0.85 0.00 0.00 174.74 175.91 3knk n LYS 4 N 1.85 0.11 -3.68 1.40 5.02 -1.26 -5.12 118.16 116.48 3knk n LYS 4 Ca -0.19 -0.84 -0.13 0.00 -2.02 0.00 0.00 58.31 55.13 3knk n LYS 4 Cb 0.55 -0.30 -0.13 0.00 -0.02 0.00 0.00 35.03 35.13 3knk n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3knk s LYS 5 N -3.52 0.16 0.12 1.97 -0.14 -1.26 -5.13 119.74 111.94 3knk s LYS 5 Ca 0.23 0.70 -0.17 0.00 -1.36 0.00 0.00 55.97 55.36 3knk s LYS 5 Cb -0.01 -0.06 -0.11 0.00 -1.68 0.00 0.00 37.83 35.98 3knk s LYS 5 CO 0.16 -0.26 0.32 0.41 -0.76 0.00 0.00 175.35 175.23 3knk n GLY 6 N 5.08 -1.08 2.98 -3.33 0.00 -1.26 -4.98 105.19 102.60 3knk n GLY 6 Ca -0.11 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3knk n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3knk s LEU 7 N 1.85 0.54 0.00 0.99 1.43 -1.26 -5.16 118.68 117.06 3knk s LEU 7 Ca 0.40 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3knk s LEU 7 Cb -0.58 0.54 0.00 0.00 0.03 0.00 0.00 46.19 46.18 3knk s LEU 7 CO 0.35 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3knk n GLY 8 N 4.27 0.90 0.00 -3.19 0.00 -1.26 -5.15 105.19 100.77 3knk n GLY 8 Ca -0.25 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3knk n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knk n SER 9 N 0.00 0.78 -3.67 1.61 3.41 -1.26 -5.17 113.62 109.32 3knk n SER 9 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3knk n SER 9 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3knk n SER 9 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3knk s THR 10 N 1.35 -0.01 -2.78 6.66 2.01 -1.26 -5.03 115.64 116.58 3knk s THR 10 Ca 0.00 0.03 0.23 0.00 0.31 0.00 0.00 61.69 62.26 3knk s THR 10 Cb 0.00 -0.82 0.27 0.00 0.01 0.00 0.00 72.50 71.96 3knk s THR 10 CO 0.00 0.01 1.30 -2.11 -0.69 0.00 0.00 174.62 173.13 3knk n ARG 11 N 3.73 2.36 0.00 4.92 1.85 -1.26 -4.89 116.66 123.37 3knk n ARG 11 Ca -0.19 -2.04 0.00 0.00 -1.00 0.00 0.00 57.85 54.62 3knk n ARG 11 Cb 0.57 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 3knk n ARG 11 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3knk n ASN 12 N 1.39 0.00 -3.66 2.89 4.13 -1.26 -4.92 115.26 113.83 3knk n ASN 12 Ca 0.16 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.19 3knk n ASN 12 Cb 0.60 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.85 3knk n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3knk n GLY 13 N 5.00 -1.21 3.39 7.41 0.00 -1.26 -5.01 105.19 113.51 3knk n GLY 13 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 46.02 46.44 3knk n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knk s ARG 14 N -4.96 1.38 -0.23 1.61 3.52 -1.26 -5.19 118.95 113.82 3knk s ARG 14 Ca 0.12 -1.47 -0.37 0.00 -0.13 0.00 0.00 55.73 53.88 3knk s ARG 14 Cb -0.05 0.37 0.15 0.00 -1.56 0.00 0.00 34.95 33.86 3knk s ARG 14 CO 0.87 -0.52 1.38 0.34 -0.81 0.00 0.00 175.30 176.56 3knk s ASP 15 N -3.10 -0.02 -0.01 -2.12 2.15 -1.26 -5.16 116.67 107.14 3knk s ASP 15 Ca 0.31 -0.01 -0.06 0.00 0.43 0.00 0.00 52.55 53.23 3knk s ASP 15 Cb 0.03 0.03 -0.05 0.00 -0.30 0.00 0.00 42.92 42.63 3knk s ASP 15 CO 0.11 -0.04 0.24 -0.44 -0.17 0.00 0.00 175.17 174.87 3knk s SER 16 N -2.26 6.47 0.20 -0.34 0.01 -1.26 -5.05 113.70 111.47 3knk s SER 16 Ca 0.12 0.52 -0.30 0.00 1.31 0.00 0.00 55.95 57.61 3knk s SER 16 Cb 0.01 -2.08 -0.16 0.00 0.21 0.00 0.00 66.02 64.00 3knk s SER 16 CO -0.03 0.28 0.83 0.00 0.41 0.00 0.00 173.24 174.72 3knk n GLN 17 N 1.23 0.60 -1.35 12.44 10.64 -1.26 -4.88 117.38 134.80 3knk n GLN 17 Ca -0.12 0.21 -0.36 0.00 -1.83 0.00 0.00 57.00 54.90 3knk n GLN 17 Cb 0.53 -1.45 0.08 0.00 -0.86 0.00 0.00 30.24 28.54 3knk n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3knk n ALA 18 N 0.46 -0.38 0.05 2.61 0.00 -1.26 -4.96 120.51 117.03 3knk n ALA 18 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.44 3knk n ALA 18 Cb 0.25 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 17.69 3knk n ALA 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knk n LYS 19 N -1.72 1.73 -3.89 0.00 4.76 -1.26 -5.02 118.16 112.76 3knk n LYS 19 Ca 0.13 -1.48 -0.37 0.00 -2.87 0.00 0.00 58.31 53.72 3knk n LYS 19 Cb 0.49 -1.16 0.02 0.00 -1.84 0.00 0.00 35.03 32.55 3knk n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3knk n ARG 20 N 0.25 -0.80 -4.21 1.97 3.00 -1.26 -4.93 116.66 110.69 3knk n ARG 20 Ca 0.06 0.38 -0.35 0.00 -0.01 0.00 0.00 57.85 57.93 3knk n ARG 20 Cb 0.29 -2.87 -0.10 0.00 0.00 0.00 0.00 32.46 29.78 3knk n ARG 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3knk s LEU 21 N -6.50 3.67 0.00 0.55 1.43 -1.26 -4.97 118.68 111.60 3knk s LEU 21 Ca 0.34 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 3knk s LEU 21 Cb -0.17 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3knk s LEU 21 CO 0.92 0.28 0.00 0.61 0.23 0.00 0.00 176.35 178.39 3knk n GLY 22 N 2.84 1.43 3.74 -3.19 0.00 0.63 -5.00 105.19 105.64 3knk n GLY 22 Ca -0.18 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 3knk n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knk s VAL 23 N -1.86 2.88 -0.56 1.61 1.01 -1.26 -0.65 120.40 121.56 3knk s VAL 23 Ca 0.00 0.73 0.13 0.00 0.00 0.00 0.00 61.98 62.84 3knk s VAL 23 Cb 0.00 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 32.77 3knk s VAL 23 CO 0.00 0.11 0.53 0.29 0.00 0.00 0.00 175.10 176.03 3knk n LYS 24 N 2.45 2.59 -3.71 2.72 4.76 0.32 -4.89 118.16 122.40 3knk n LYS 24 Ca 0.06 -0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.33 3knk n LYS 24 Cb 0.41 -1.12 -0.16 0.00 -1.84 0.00 0.00 35.03 32.32 3knk n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3knk s ARG 25 N -2.26 0.00 0.51 1.97 1.81 -0.80 -4.94 118.95 115.24 3knk s ARG 25 Ca 0.04 0.39 0.08 0.00 -1.72 0.00 0.00 55.73 54.52 3knk s ARG 25 Cb 0.10 -0.30 0.04 0.00 -0.45 0.00 0.00 34.95 34.34 3knk s ARG 25 CO 0.53 -0.25 0.62 0.71 -0.68 0.00 0.00 175.30 176.23 3knk s TYR 26 N 1.71 2.00 -0.13 -0.53 4.12 -1.26 -4.86 117.35 118.40 3knk s TYR 26 Ca -0.02 -0.62 -0.33 0.00 0.02 0.00 0.00 57.07 56.11 3knk s TYR 26 Cb -0.12 -2.20 -0.11 0.00 -1.52 0.00 0.00 41.96 38.01 3knk s TYR 26 CO -0.05 -0.71 1.97 -1.91 0.02 0.00 0.00 175.55 174.87 3knk n GLU 27 N -1.97 2.08 0.00 -0.62 2.13 -1.26 -1.82 120.64 119.18 3knk n GLU 27 Ca 0.09 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.64 3knk n GLU 27 Cb 0.61 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3knk n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3knk n GLY 28 N 4.83 0.65 3.64 8.31 0.00 0.72 -5.00 105.19 118.35 3knk n GLY 28 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 3knk n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knk s GLN 29 N -0.60 4.13 -0.78 1.61 -0.21 -0.76 -4.75 119.66 118.30 3knk s GLN 29 Ca 0.00 1.11 -0.08 0.00 0.02 0.00 0.00 55.36 56.42 3knk s GLN 29 Cb 0.00 -3.70 -0.07 0.00 1.00 0.00 0.00 33.01 30.25 3knk s GLN 29 CO 0.00 -0.76 1.95 1.33 -2.12 0.00 0.00 175.29 175.69 3knk n VAL 30 N 5.61 2.04 -0.91 1.09 0.24 -1.26 -1.65 118.33 123.48 3knk n VAL 30 Ca 0.11 -1.29 -0.30 0.00 -2.04 0.00 0.00 64.34 60.82 3knk n VAL 30 Cb 0.47 -2.09 0.17 0.00 -1.47 0.00 0.00 33.84 30.92 3knk n VAL 30 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3knk s VAL 31 N 3.88 2.38 0.33 3.34 -7.23 -1.19 -4.90 120.40 117.01 3knk s VAL 31 Ca 0.38 0.12 0.08 0.00 -1.81 0.00 0.00 61.98 60.76 3knk s VAL 31 Cb 0.10 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3knk s VAL 31 CO -0.00 -0.16 0.14 -0.13 -0.31 0.00 0.00 175.10 174.64 3knk s ARG 32 N -4.74 2.43 -0.74 4.82 0.52 -1.26 -3.35 118.95 116.63 3knk s ARG 32 Ca 0.65 -1.48 -0.25 0.00 -0.52 0.00 0.00 55.73 54.14 3knk s ARG 32 Cb -0.21 -2.23 -0.15 0.00 0.52 0.00 0.00 34.95 32.88 3knk s ARG 32 CO 0.59 0.15 2.43 0.00 0.02 0.00 0.00 175.30 178.50 3knk n ALA 33 N -1.15 0.61 0.00 2.13 0.00 -1.22 -1.22 120.51 119.67 3knk n ALA 33 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.46 3knk n ALA 33 Cb 0.61 -2.96 0.00 0.00 0.00 0.00 0.00 19.45 17.09 3knk n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knk n GLY 34 N 6.27 3.36 0.47 0.00 0.00 -1.18 -4.87 105.19 109.23 3knk n GLY 34 Ca 0.49 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 3knk n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knk n ASN 35 N 0.00 0.11 -4.75 1.61 4.13 -0.35 -3.75 115.26 112.25 3knk n ASN 35 Ca 0.00 0.15 -0.39 0.00 1.68 0.00 0.00 54.58 56.02 3knk n ASN 35 Cb 0.00 -0.11 -0.05 0.00 -1.54 0.00 0.00 39.78 38.07 3knk n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3knk s ILE 36 N 0.26 4.91 -0.12 2.41 -4.36 -1.26 -1.29 121.20 121.75 3knk s ILE 36 Ca 0.13 1.37 0.10 0.00 -0.26 0.00 0.00 60.65 61.99 3knk s ILE 36 Cb -0.18 -4.00 -0.24 0.00 1.25 0.00 0.00 42.46 39.30 3knk s ILE 36 CO 0.09 0.36 0.37 0.18 0.24 0.00 0.00 174.94 176.19 3knk n LEU 37 N 3.05 1.09 -3.82 0.37 4.77 0.67 -4.43 117.00 118.69 3knk n LEU 37 Ca -0.04 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.03 3knk n LEU 37 Cb 0.51 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3knk n LEU 37 CO 0.45 0.54 -0.10 -0.69 -1.33 0.00 0.00 177.39 176.26 3knk s VAL 38 N -2.55 0.05 -0.23 4.08 1.01 -0.57 0.12 120.40 122.31 3knk s VAL 38 Ca -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3knk s VAL 38 Cb 0.07 -0.45 0.06 0.00 0.00 0.00 0.00 36.38 36.06 3knk s VAL 38 CO 0.80 -0.23 -0.07 -0.13 0.00 0.00 0.00 175.10 175.47 3knk s ARG 39 N -0.91 1.73 0.02 2.72 1.81 0.18 -0.58 118.95 123.92 3knk s ARG 39 Ca -0.10 -0.99 -0.04 0.00 -1.72 0.00 0.00 55.73 52.88 3knk s ARG 39 Cb -0.05 -2.58 -0.01 0.00 -0.45 0.00 0.00 34.95 31.86 3knk s ARG 39 CO 0.02 -0.57 0.05 1.14 -0.68 0.00 0.00 175.30 175.26 3knk s GLN 40 N 1.37 0.43 0.04 3.54 -2.07 -1.26 -0.27 119.66 121.45 3knk s GLN 40 Ca -0.05 -0.58 -0.28 0.00 -1.82 0.00 0.00 55.36 52.63 3knk s GLN 40 Cb -0.19 0.17 -0.17 0.00 -1.09 0.00 0.00 33.01 31.73 3knk s GLN 40 CO -0.06 -0.09 1.42 0.00 -1.32 0.00 0.00 175.29 175.24 3knk h ARG 41 N 4.29 -0.61 0.00 9.60 -0.00 -1.93 -3.42 114.38 122.30 3knk h ARG 41 Ca -0.32 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 3knk h ARG 41 Cb 1.20 0.14 0.00 0.00 0.00 0.00 0.00 29.97 31.31 3knk h ARG 41 CO 0.43 -0.33 0.00 0.41 0.00 0.00 0.00 179.97 180.48 3knk n GLY 42 N -0.88 3.60 3.01 0.04 0.00 -1.26 -4.88 105.19 104.82 3knk n GLY 42 Ca -0.11 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 3knk n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3knk n THR 43 N 0.00 3.48 0.15 2.61 5.66 -1.26 -4.70 114.28 120.21 3knk n THR 43 Ca 0.00 -5.30 0.09 0.00 -3.05 0.00 0.00 64.05 55.79 3knk n THR 43 Cb 0.00 -2.30 0.06 0.00 -1.55 0.00 0.00 70.33 66.54 3knk n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3knk h ARG 44 N 5.67 0.00 -4.77 1.09 3.08 -1.95 -3.44 114.38 114.06 3knk h ARG 44 Ca 0.18 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.77 3knk h ARG 44 Cb 0.76 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.50 3knk h ARG 44 CO 0.96 0.09 -0.80 -0.06 -1.07 0.00 0.00 179.97 179.09 3knk s PHE 45 N -3.21 1.09 0.12 3.04 0.40 -1.26 -4.29 117.98 113.87 3knk s PHE 45 Ca 0.03 -0.27 0.08 0.00 -0.60 0.00 0.00 56.93 56.16 3knk s PHE 45 Cb 0.07 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 3knk s PHE 45 CO 0.74 -0.10 -0.11 0.15 0.70 0.00 0.00 175.22 176.60 3knk s LYS 46 N 0.10 2.05 1.11 0.44 1.02 -0.99 -4.99 119.74 118.48 3knk s LYS 46 Ca -0.02 -1.08 -0.17 0.00 0.02 0.00 0.00 55.97 54.72 3knk s LYS 46 Cb -0.08 -2.25 0.18 0.00 -0.52 0.00 0.00 37.83 35.15 3knk s LYS 46 CO 0.01 0.49 0.28 -0.35 -0.92 0.00 0.00 175.35 174.86 3knk n PRO 47 N 0.64 -2.38 0.00 -1.68 -0.04 -1.26 -3.28 135.00 127.01 3knk n PRO 47 Ca -0.14 -0.70 0.00 0.00 -0.04 0.00 0.00 63.50 62.63 3knk n PRO 47 Cb 0.53 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3knk n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3knk n GLY 48 N 2.23 3.12 3.63 0.55 0.00 -1.04 -4.50 105.19 109.17 3knk n GLY 48 Ca 0.05 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3knk n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk s LYS 49 N 4.13 3.95 -1.20 1.61 1.02 -1.26 -3.51 119.74 124.49 3knk s LYS 49 Ca 0.00 1.28 -0.15 0.00 0.02 0.00 0.00 55.97 57.12 3knk s LYS 49 Cb 0.00 -3.87 -0.01 0.00 -0.52 0.00 0.00 37.83 33.44 3knk s LYS 49 CO 0.00 -1.08 0.73 0.09 -0.92 0.00 0.00 175.35 174.17 3knk n ASN 50 N 7.52 -4.15 -3.27 2.83 3.02 -1.26 -0.76 115.26 119.18 3knk n ASN 50 Ca 0.15 -0.99 -0.03 0.00 -0.03 0.00 0.00 54.58 53.67 3knk n ASN 50 Cb 0.46 -3.41 -0.05 0.00 -0.61 0.00 0.00 39.78 36.17 3knk n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3knk s VAL 51 N -3.56 -0.79 0.32 2.41 1.01 -1.23 -3.04 120.40 115.51 3knk s VAL 51 Ca 0.36 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.40 3knk s VAL 51 Cb -0.13 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 3knk s VAL 51 CO 0.86 -0.06 0.01 -0.83 0.00 0.00 0.00 175.10 175.08 3knk s GLY 52 N 2.70 1.92 -0.06 4.51 0.00 -1.10 -2.55 107.32 112.75 3knk s GLY 52 Ca 0.16 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 43.03 3knk s GLY 52 CO -0.18 -1.84 -0.06 -3.16 0.00 0.00 0.00 173.10 167.87 3knk s MET 53 N -3.71 1.03 0.13 2.90 0.23 -1.26 -0.94 119.30 117.68 3knk s MET 53 Ca 0.34 -0.15 -0.01 0.00 -1.03 0.00 0.00 55.69 54.84 3knk s MET 53 Cb -0.03 -1.04 0.03 0.00 -1.53 0.00 0.00 34.83 32.27 3knk s MET 53 CO 0.20 -0.11 0.18 0.41 -2.03 0.00 0.00 175.02 173.66 3knk n GLY 54 N 4.24 0.27 0.09 3.16 0.00 -1.12 -4.79 105.19 107.04 3knk n GLY 54 Ca -0.21 -1.90 0.06 0.00 0.00 0.00 0.00 46.02 43.98 3knk n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk n ARG 55 N -1.34 -0.02 -0.41 1.61 1.74 -1.26 0.49 116.66 117.47 3knk n ARG 55 Ca 0.03 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.60 3knk n ARG 55 Cb 0.10 -0.63 0.33 0.00 -1.02 0.00 0.00 32.46 31.24 3knk n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3knk n ASP 56 N -3.86 4.08 -0.64 0.55 3.85 -1.26 -4.92 116.55 114.34 3knk n ASP 56 Ca 0.08 -2.05 -0.08 0.00 -0.71 0.00 0.00 54.79 52.03 3knk n ASP 56 Cb 0.27 -0.51 -0.04 0.00 -1.35 0.00 0.00 41.12 39.49 3knk n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3knk n PHE 57 N 1.64 0.00 -2.31 2.11 3.72 0.18 -4.56 117.46 118.24 3knk n PHE 57 Ca 0.25 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.23 3knk n PHE 57 Cb 0.66 -1.71 -0.03 0.00 -0.94 0.00 0.00 39.48 37.46 3knk n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3knk s THR 58 N -2.30 3.75 -0.06 4.37 2.01 -1.26 -4.34 115.64 117.81 3knk s THR 58 Ca 0.00 1.23 -0.12 0.00 0.31 0.00 0.00 61.69 63.11 3knk s THR 58 Cb 0.00 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 3knk s THR 58 CO 0.00 0.07 0.31 -0.76 -0.69 0.00 0.00 174.62 173.55 3knk s LEU 59 N 1.35 4.42 0.10 4.42 1.43 0.25 -2.79 118.68 127.86 3knk s LEU 59 Ca 0.61 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 54.45 3knk s LEU 59 Cb -0.32 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 3knk s LEU 59 CO 0.29 0.32 0.02 0.72 0.23 0.00 0.00 176.35 177.93 3knk s PHE 60 N -0.83 0.75 0.75 0.29 -0.12 -0.11 -0.24 117.98 118.47 3knk s PHE 60 Ca 0.20 -1.17 -0.11 0.00 -0.05 0.00 0.00 56.93 55.80 3knk s PHE 60 Cb -0.15 -0.46 0.05 0.00 -0.63 0.00 0.00 43.02 41.84 3knk s PHE 60 CO 0.09 -0.46 1.12 0.00 -0.05 0.00 0.00 175.22 175.92 3knk s ALA 61 N -3.99 2.82 0.00 1.99 0.00 -0.41 -2.69 121.76 119.47 3knk s ALA 61 Ca 0.18 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3knk s ALA 61 Cb 0.08 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3knk s ALA 61 CO -0.02 -1.41 0.00 1.28 0.00 0.00 0.00 175.76 175.60 3knk n LEU 62 N -3.14 0.02 -4.40 0.00 4.77 -1.17 -3.13 117.00 109.95 3knk n LEU 62 Ca 0.07 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.84 3knk n LEU 62 Cb 0.59 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 3knk n LEU 62 CO 0.56 0.00 -0.21 0.68 -1.33 0.00 0.00 177.39 177.10 3knk s VAL 63 N -1.48 0.53 -0.72 4.08 -7.23 -1.26 -4.44 120.40 109.88 3knk s VAL 63 Ca 0.00 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.96 3knk s VAL 63 Cb 0.00 -2.51 0.09 0.00 0.56 0.00 0.00 36.38 34.52 3knk s VAL 63 CO 0.00 0.00 0.97 -0.62 -0.31 0.00 0.00 175.10 175.14 3knk s ASP 64 N -3.46 6.30 0.00 4.85 2.15 -1.26 -3.37 116.67 121.88 3knk s ASP 64 Ca 0.32 -1.35 0.00 0.00 0.43 0.00 0.00 52.55 51.96 3knk s ASP 64 Cb 0.05 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 3knk s ASP 64 CO 0.16 -1.29 0.00 0.61 -0.17 0.00 0.00 175.17 174.49 3knk n GLY 65 N 5.36 5.66 3.01 2.66 0.00 -1.21 -3.85 105.19 116.82 3knk n GLY 65 Ca 0.03 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.24 3knk n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knk s VAL 66 N 0.73 1.66 0.21 1.61 1.01 -0.87 -3.17 120.40 121.57 3knk s VAL 66 Ca 0.00 -0.91 -0.32 0.00 0.00 0.00 0.00 61.98 60.75 3knk s VAL 66 Cb 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 36.38 34.57 3knk s VAL 66 CO 0.00 0.27 1.43 0.52 0.00 0.00 0.00 175.10 177.32 3knk n VAL 67 N 4.70 0.68 -3.65 2.92 0.31 -0.66 -3.35 118.33 119.29 3knk n VAL 67 Ca -0.16 -0.17 -0.16 0.00 -0.01 0.00 0.00 64.34 63.84 3knk n VAL 67 Cb 0.48 -1.41 -0.15 0.00 -0.91 0.00 0.00 33.84 31.85 3knk n VAL 67 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3knk s GLU 68 N -0.06 0.08 0.00 5.55 -1.05 -1.11 -0.20 118.70 121.91 3knk s GLU 68 Ca 0.72 0.56 0.00 0.00 -0.15 0.00 0.00 54.97 56.10 3knk s GLU 68 Cb -0.69 -0.34 0.00 0.00 -0.44 0.00 0.00 34.13 32.67 3knk s GLU 68 CO 0.47 -0.34 0.00 1.19 0.95 0.00 0.00 175.26 177.52 3knk n PHE 69 N 5.33 -1.54 -3.65 4.83 3.01 -1.26 -1.51 117.46 122.67 3knk n PHE 69 Ca -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.39 3knk n PHE 69 Cb 0.50 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.90 3knk n PHE 69 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3knk s GLN 70 N -1.21 0.10 -0.21 -1.08 -1.52 -0.52 -4.70 119.66 110.52 3knk s GLN 70 Ca 0.00 0.13 0.01 0.00 -1.95 0.00 0.00 55.36 53.55 3knk s GLN 70 Cb 0.00 0.04 0.05 0.00 -0.22 0.00 0.00 33.01 32.88 3knk s GLN 70 CO 0.00 -0.01 -0.09 0.34 -0.25 0.00 0.00 175.29 175.28 3knk s ASP 71 N 0.30 3.59 0.00 5.90 -1.08 -1.26 0.62 116.67 124.74 3knk s ASP 71 Ca 0.03 -1.00 0.25 0.00 -0.52 0.00 0.00 52.55 51.31 3knk s ASP 71 Cb -0.04 -1.24 0.46 0.00 -1.46 0.00 0.00 42.92 40.64 3knk s ASP 71 CO -0.14 -0.17 1.38 0.54 0.52 0.00 0.00 175.17 177.30 3knk n ARG 72 N 4.66 0.68 0.00 4.34 5.12 -0.10 -5.03 116.66 126.34 3knk n ARG 72 Ca -0.14 -0.46 0.00 0.00 -1.93 0.00 0.00 57.85 55.32 3knk n ARG 72 Cb 0.46 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.26 3knk n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3knk n GLY 73 N 1.40 1.63 0.01 -0.13 0.00 -1.18 -3.55 105.19 103.37 3knk n GLY 73 Ca 0.10 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3knk n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knk n ARG 74 N 0.00 0.03 0.14 1.61 5.12 -1.26 -2.75 116.66 119.56 3knk n ARG 74 Ca 0.00 0.02 0.12 0.00 -1.93 0.00 0.00 57.85 56.06 3knk n ARG 74 Cb 0.00 -1.54 0.08 0.00 -1.16 0.00 0.00 32.46 29.84 3knk n ARG 74 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3knk h LEU 75 N 0.00 0.00 0.00 0.55 6.46 -1.99 -3.50 115.31 116.84 3knk h LEU 75 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3knk h LEU 75 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 3knk h LEU 75 CO 0.00 0.01 0.00 0.61 -0.62 0.00 0.00 178.44 178.44 3knk n GLY 76 N 1.17 1.71 3.82 3.75 0.00 -1.11 -4.97 105.19 109.56 3knk n GLY 76 Ca 0.02 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 3knk n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knk s ARG 77 N -1.41 3.29 0.32 1.61 0.52 -1.26 -0.92 118.95 121.10 3knk s ARG 77 Ca 0.00 -0.24 0.03 0.00 -0.52 0.00 0.00 55.73 55.00 3knk s ARG 77 Cb 0.00 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 3knk s ARG 77 CO 0.00 0.74 0.14 0.71 0.02 0.00 0.00 175.30 176.91 3knk s TYR 78 N -1.02 1.66 -0.04 -0.53 1.51 0.20 -2.35 117.35 116.79 3knk s TYR 78 Ca 0.16 -1.30 -0.12 0.00 -1.01 0.00 0.00 57.07 54.80 3knk s TYR 78 Cb -0.12 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.80 3knk s TYR 78 CO 0.05 -0.42 0.27 0.08 -1.11 0.00 0.00 175.55 174.43 3knk s VAL 79 N -3.52 0.04 0.14 0.71 1.01 -1.20 -1.44 120.40 116.14 3knk s VAL 79 Ca 0.34 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 3knk s VAL 79 Cb 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.92 3knk s VAL 79 CO 0.17 -0.20 0.22 1.41 0.00 0.00 0.00 175.10 176.69 3knk n HIS 80 N 1.82 -0.97 -3.41 5.22 8.25 -0.57 -2.51 115.22 123.04 3knk n HIS 80 Ca -0.19 -0.89 -0.17 0.00 -0.26 0.00 0.00 57.72 56.20 3knk n HIS 80 Cb 0.56 0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.82 3knk n HIS 80 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3knk s VAL 81 N -2.60 -0.39 -0.39 1.59 1.01 0.06 -2.76 120.40 116.92 3knk s VAL 81 Ca 0.10 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 3knk s VAL 81 Cb -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.43 3knk s VAL 81 CO 0.08 -0.44 0.82 0.00 0.00 0.00 0.00 175.10 175.56 3knk s ARG 82 N 2.36 3.69 0.17 2.72 1.70 -1.21 -4.68 118.95 123.71 3knk s ARG 82 Ca 0.09 0.28 -0.02 0.00 -0.47 0.00 0.00 55.73 55.61 3knk s ARG 82 Cb -0.14 -3.84 0.04 0.00 -0.57 0.00 0.00 34.95 30.44 3knk s ARG 82 CO -0.31 -0.95 0.08 -0.35 -1.08 0.00 0.00 175.30 172.70 3knk n PRO 83 N 6.61 -0.68 -4.42 3.89 -0.04 -1.26 -2.06 135.00 137.04 3knk n PRO 83 Ca 0.04 -0.14 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 3knk n PRO 83 Cb 0.48 -0.25 -0.07 0.00 -0.04 0.00 0.00 33.50 33.62 3knk n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3knk s LEU 84 N 0.00 2.72 0.00 1.53 1.02 -1.25 -4.58 118.68 118.13 3knk s LEU 84 Ca 0.06 -1.37 0.00 0.00 0.02 0.00 0.00 54.13 52.85 3knk s LEU 84 Cb -0.01 -1.04 0.00 0.00 0.02 0.00 0.00 46.19 45.16 3knk s LEU 84 CO 0.05 -0.71 0.00 0.00 0.02 0.00 0.00 176.35 175.71