#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckv s SER 2 N 0.00 -0.41 0.51 6.12 0.15 -1.26 -5.16 113.70 113.65 1ckv s SER 2 Ca 0.00 -0.16 -0.19 0.00 0.70 0.00 0.00 55.95 56.30 1ckv s SER 2 Cb 0.00 0.65 -0.07 0.00 -1.71 0.00 0.00 66.02 64.89 1ckv s SER 2 CO 0.00 -0.05 1.04 -0.69 1.20 0.00 0.00 173.24 174.74 1ckv s VAL 3 N 2.13 3.80 0.03 4.45 1.01 -1.26 -5.06 120.40 125.51 1ckv s VAL 3 Ca 0.17 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1ckv s VAL 3 Cb 0.02 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1ckv s VAL 3 CO -0.16 -0.31 0.04 0.54 0.00 0.00 0.00 175.10 175.21 1ckv s ASN 4 N -2.19 5.36 0.32 3.32 2.20 -1.26 -5.12 114.94 117.57 1ckv s ASN 4 Ca 0.66 0.01 0.03 0.00 -0.94 0.00 0.00 52.86 52.63 1ckv s ASN 4 Cb -0.16 -1.44 -0.05 0.00 -2.00 0.00 0.00 41.25 37.61 1ckv s ASN 4 CO 0.24 0.24 0.11 -0.94 -2.94 0.00 0.00 177.10 173.81 1ckv s SER 5 N -1.89 1.99 -0.53 3.54 1.04 -1.26 -5.08 113.70 111.51 1ckv s SER 5 Ca 0.23 -1.49 -0.27 0.00 0.48 0.00 0.00 55.95 54.91 1ckv s SER 5 Cb -0.12 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1ckv s SER 5 CO 0.15 -0.78 1.89 0.21 0.98 0.00 0.00 173.24 175.69 1ckv s ASN 6 N -3.45 5.36 0.46 7.02 3.84 -1.26 -4.95 114.94 121.96 1ckv s ASN 6 Ca 0.34 0.63 -0.25 0.00 0.21 0.00 0.00 52.86 53.79 1ckv s ASN 6 Cb 0.06 -2.53 -0.08 0.00 -0.55 0.00 0.00 41.25 38.15 1ckv s ASN 6 CO 0.15 -2.25 1.38 0.00 -2.79 0.00 0.00 177.10 173.58 1ckv n ALA 7 N 12.41 1.77 -1.04 1.71 0.00 -1.26 -4.92 120.51 129.17 1ckv n ALA 7 Ca 0.22 0.23 0.03 0.00 0.00 0.00 0.00 53.44 53.92 1ckv n ALA 7 Cb 0.51 -2.35 0.30 0.00 0.00 0.00 0.00 19.45 17.90 1ckv n ALA 7 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ckv n TYR 8 N -0.36 1.62 0.21 0.00 4.19 -1.26 -4.58 117.16 116.97 1ckv n TYR 8 Ca 0.06 -1.01 0.11 0.00 3.31 0.00 0.00 57.90 60.37 1ckv n TYR 8 Cb 0.42 -0.48 0.59 0.00 0.49 0.00 0.00 39.34 40.36 1ckv n TYR 8 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 1ckv h ASP 9 N 2.42 0.00 1.57 2.98 3.32 -1.98 1.13 116.42 125.86 1ckv h ASP 9 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ckv h ASP 9 Cb 1.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.38 1ckv h ASP 9 CO 0.44 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.96 1ckv h ALA 10 N 1.56 1.00 0.00 3.45 0.00 -2.01 -3.34 119.26 119.92 1ckv h ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ckv h ALA 10 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ckv h ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ckv n GLY 11 N 1.08 0.89 0.33 0.00 0.00 0.31 -4.76 105.19 103.03 1ckv n GLY 11 Ca 0.05 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.29 1ckv n GLY 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1ckv h ILE 12 N 0.06 0.00 -0.15 -0.61 -0.00 0.65 0.68 117.51 118.14 1ckv h ILE 12 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 64.86 64.81 1ckv h ILE 12 Cb 0.03 1.04 0.00 0.00 -0.00 0.00 0.00 36.82 37.89 1ckv h ILE 12 CO 0.00 0.00 0.00 0.23 -0.00 0.00 0.00 178.15 178.38 1ckv n MET 13 N -3.06 1.39 0.00 0.16 0.00 -1.26 -0.84 117.12 113.52 1ckv n MET 13 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 57.70 57.07 1ckv n MET 13 Cb 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1ckv n MET 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ckv n GLY 14 N 0.83 0.00 0.00 3.03 0.00 0.17 -4.05 105.19 105.17 1ckv n GLY 14 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ckv n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ckv n LEU 15 N -1.97 1.03 -1.08 0.99 4.32 0.18 -2.65 117.00 117.82 1ckv n LEU 15 Ca 0.00 0.30 0.08 0.00 -0.02 0.00 0.00 56.01 56.38 1ckv n LEU 15 Cb 0.07 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.12 1ckv n LEU 15 CO 0.00 0.00 0.71 0.29 -1.22 0.00 0.00 177.39 177.17 1ckv n LYS 16 N -0.48 2.47 -0.00 3.23 4.01 -1.25 -3.91 118.16 122.23 1ckv n LYS 16 Ca 0.00 -2.02 0.04 0.00 -0.51 0.00 0.00 58.31 55.81 1ckv n LYS 16 Cb 0.00 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 32.96 1ckv n LYS 16 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ckv n GLY 17 N 1.27 -0.19 2.69 0.72 0.00 -0.02 -4.81 105.19 104.84 1ckv n GLY 17 Ca 0.19 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1ckv n GLY 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ckv s LYS 18 N -2.33 1.77 0.00 1.61 2.47 -1.08 -4.71 119.74 117.46 1ckv s LYS 18 Ca -0.01 -2.77 0.00 0.00 -1.56 0.00 0.00 55.97 51.63 1ckv s LYS 18 Cb 0.05 -2.56 0.00 0.00 -1.46 0.00 0.00 37.83 33.87 1ckv s LYS 18 CO 0.33 -1.32 0.62 -3.47 0.16 0.00 0.00 175.35 171.68 1ckv n ASP 19 N 2.42 0.00 -0.40 1.43 -0.08 -1.26 -4.73 116.55 113.93 1ckv n ASP 19 Ca 0.23 -1.32 0.08 0.00 -1.51 0.00 0.00 54.79 52.26 1ckv n ASP 19 Cb 0.40 -0.06 0.32 0.00 2.34 0.00 0.00 41.12 44.12 1ckv n ASP 19 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1ckv n PHE 20 N 0.00 0.20 -0.32 -0.67 -0.00 -1.26 -4.92 117.46 110.49 1ckv n PHE 20 Ca 0.00 -0.10 -0.13 0.00 -0.00 0.00 0.00 57.45 57.22 1ckv n PHE 20 Cb 0.56 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 40.17 1ckv n PHE 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1ckv n ALA 21 N 0.04 -2.17 -1.15 3.13 0.00 -1.26 -3.55 120.51 115.56 1ckv n ALA 21 Ca 0.13 -0.63 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 1ckv n ALA 21 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 1ckv n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckv n ASP 22 N -1.95 -5.09 0.00 0.00 2.03 -1.26 -4.70 116.55 105.58 1ckv n ASP 22 Ca 0.06 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.49 1ckv n ASP 22 Cb 0.25 -3.05 0.00 0.00 -0.72 0.00 0.00 41.12 37.60 1ckv n ASP 22 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 1ckv n GLN 23 N -0.89 0.24 -0.08 -0.67 7.27 -1.23 -4.88 117.38 117.13 1ckv n GLN 23 Ca -0.05 -0.57 -0.12 0.00 0.07 0.00 0.00 57.00 56.33 1ckv n GLN 23 Cb 0.41 -0.54 -0.06 0.00 2.41 0.00 0.00 30.24 32.47 1ckv n GLN 23 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1ckv n PHE 24 N -0.04 0.96 -4.06 3.69 3.72 -1.26 -4.86 117.46 115.61 1ckv n PHE 24 Ca 0.00 0.42 -0.32 0.00 -0.05 0.00 0.00 57.45 57.50 1ckv n PHE 24 Cb 0.47 -0.91 -0.15 0.00 -0.94 0.00 0.00 39.48 37.95 1ckv n PHE 24 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1ckv s PHE 25 N -2.29 3.13 0.00 1.38 0.40 -1.26 -5.08 117.98 114.25 1ckv s PHE 25 Ca -0.21 -2.21 0.00 0.00 -0.60 0.00 0.00 56.93 53.92 1ckv s PHE 25 Cb 0.04 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.68 1ckv s PHE 25 CO 0.37 -0.86 0.00 0.00 0.70 0.00 0.00 175.22 175.43 1ckv n ALA 26 N 4.47 0.00 0.00 5.36 0.00 -1.26 -4.99 120.51 124.09 1ckv n ALA 26 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ckv n ALA 26 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1ckv n ALA 26 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ckv n ASP 27 N 0.00 0.00 0.11 0.00 9.92 -1.26 -4.98 116.55 120.34 1ckv n ASP 27 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 1ckv n ASP 27 Cb 0.00 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 40.54 1ckv n ASP 27 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1ckv h GLU 28 N 0.00 0.00 -0.06 -1.24 4.39 -2.04 -3.25 114.58 112.38 1ckv h GLU 28 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ckv h GLU 28 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ckv h GLU 28 CO 0.00 0.76 0.00 0.09 -1.16 0.00 0.00 179.01 178.70 1ckv n ASN 29 N -3.62 2.41 -4.81 1.42 4.13 -1.26 -5.03 115.26 108.50 1ckv n ASN 29 Ca -0.01 -2.51 -0.37 0.00 1.68 0.00 0.00 54.58 53.37 1ckv n ASN 29 Cb 0.74 -0.24 -0.06 0.00 -1.54 0.00 0.00 39.78 38.68 1ckv n ASN 29 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1ckv s GLN 30 N -1.89 4.30 0.19 3.52 -1.52 -1.23 -5.06 119.66 117.96 1ckv s GLN 30 Ca 0.19 0.91 -0.17 0.00 -1.95 0.00 0.00 55.36 54.34 1ckv s GLN 30 Cb 0.15 -2.97 -0.08 0.00 -0.22 0.00 0.00 33.01 29.90 1ckv s GLN 30 CO 0.04 0.44 0.64 0.54 -0.25 0.00 0.00 175.29 176.70 1ckv s VAL 31 N -1.43 4.71 -0.11 1.09 0.11 -1.26 -5.04 120.40 118.47 1ckv s VAL 31 Ca 0.41 1.05 -0.01 0.00 -2.93 0.00 0.00 61.98 60.49 1ckv s VAL 31 Cb -0.18 -3.79 -0.03 0.00 -1.53 0.00 0.00 36.38 30.85 1ckv s VAL 31 CO 0.22 0.21 -0.06 0.54 -3.33 0.00 0.00 175.10 172.68 1ckv s VAL 32 N -1.51 3.77 -0.28 2.04 0.11 -1.26 -5.09 120.40 118.18 1ckv s VAL 32 Ca 0.41 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 1ckv s VAL 32 Cb -0.16 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.11 1ckv s VAL 32 CO 0.20 0.55 0.04 -1.00 -3.33 0.00 0.00 175.10 171.55 1ckv s HIS 33 N -0.19 3.12 -0.42 1.54 3.76 -1.26 -4.81 115.29 117.03 1ckv s HIS 33 Ca 0.03 -1.11 -0.16 0.00 -0.15 0.00 0.00 55.06 53.67 1ckv s HIS 33 Cb -0.13 -2.20 0.02 0.00 1.11 0.00 0.00 32.58 31.39 1ckv s HIS 33 CO 0.03 -0.61 0.44 0.39 -0.85 0.00 0.00 174.74 174.13 1ckv n GLU 34 N 4.81 -1.21 -3.28 1.40 1.02 -1.26 -4.91 120.64 117.21 1ckv n GLU 34 Ca -0.15 0.77 -0.33 0.00 -0.02 0.00 0.00 57.16 57.43 1ckv n GLU 34 Cb 0.48 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.42 1ckv n GLU 34 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ckv s SER 35 N -1.69 6.74 0.00 1.62 0.15 -1.26 -4.99 113.70 114.26 1ckv s SER 35 Ca 0.15 1.11 0.08 0.00 0.70 0.00 0.00 55.95 57.99 1ckv s SER 35 Cb -0.02 -2.30 0.19 0.00 -1.71 0.00 0.00 66.02 62.18 1ckv s SER 35 CO 0.61 -0.10 1.09 -0.67 1.20 0.00 0.00 173.24 175.38 1ckv n ASP 36 N -0.05 2.46 -4.76 5.45 -0.08 -1.26 -5.03 116.55 113.27 1ckv n ASP 36 Ca 0.01 -1.86 -0.34 0.00 -1.51 0.00 0.00 54.79 51.09 1ckv n ASP 36 Cb 0.52 -0.13 0.05 0.00 2.34 0.00 0.00 41.12 43.90 1ckv n ASP 36 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ckv s THR 37 N -0.93 2.95 -0.36 5.18 2.01 -1.26 -4.42 115.64 118.81 1ckv s THR 37 Ca 0.15 0.48 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1ckv s THR 37 Cb 0.08 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1ckv s THR 37 CO 0.11 -0.23 0.23 -0.69 -0.69 0.00 0.00 174.62 173.34 1ckv s VAL 38 N -2.09 4.92 0.10 3.82 1.01 -0.78 -4.90 120.40 122.48 1ckv s VAL 38 Ca 0.71 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1ckv s VAL 38 Cb -0.24 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1ckv s VAL 38 CO 0.39 -0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 1ckv s VAL 39 N 1.64 1.32 -0.28 2.92 1.01 -0.98 -0.94 120.40 125.09 1ckv s VAL 39 Ca 0.04 -1.53 -0.16 0.00 0.00 0.00 0.00 61.98 60.34 1ckv s VAL 39 Cb -0.18 -1.36 0.08 0.00 0.00 0.00 0.00 36.38 34.92 1ckv s VAL 39 CO 0.08 -0.28 0.68 -1.48 0.00 0.00 0.00 175.10 174.11 1ckv s LEU 40 N -2.08 -0.93 -0.11 3.92 0.05 -0.90 0.13 118.68 118.76 1ckv s LEU 40 Ca 0.04 1.51 -0.00 0.00 0.05 0.00 0.00 54.13 55.73 1ckv s LEU 40 Cb -0.08 2.37 -0.02 0.00 -2.05 0.00 0.00 46.19 46.41 1ckv s LEU 40 CO 0.03 -0.24 -0.09 0.68 -0.55 0.00 0.00 176.35 176.18 1ckv s VAL 41 N 1.64 3.44 -0.01 1.48 -7.23 0.12 -2.75 120.40 117.09 1ckv s VAL 41 Ca -0.10 -0.55 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 1ckv s VAL 41 Cb -0.05 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 1ckv s VAL 41 CO -0.20 0.55 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.20 1ckv s LEU 42 N -0.15 2.04 0.10 1.32 1.02 -1.25 -2.74 118.68 119.02 1ckv s LEU 42 Ca 0.01 -0.33 -0.35 0.00 0.02 0.00 0.00 54.13 53.47 1ckv s LEU 42 Cb -0.13 -0.91 -0.15 0.00 0.02 0.00 0.00 46.19 45.01 1ckv s LEU 42 CO 0.03 0.21 1.52 0.29 0.02 0.00 0.00 176.35 178.42 1ckv n LYS 43 N 2.59 1.76 -2.32 1.70 4.76 -1.26 -3.64 118.16 121.75 1ckv n LYS 43 Ca -0.15 0.64 -0.34 0.00 -2.87 0.00 0.00 58.31 55.58 1ckv n LYS 43 Cb 0.54 -2.36 -0.04 0.00 -1.84 0.00 0.00 35.03 31.33 1ckv n LYS 43 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1ckv s LYS 44 N 1.06 3.11 0.36 1.97 2.36 -1.26 -4.44 119.74 122.90 1ckv s LYS 44 Ca 0.82 -0.74 0.04 0.00 -2.55 0.00 0.00 55.97 53.55 1ckv s LYS 44 Cb -0.79 -5.22 -0.06 0.00 -1.05 0.00 0.00 37.83 30.70 1ckv s LYS 44 CO 0.43 -2.75 0.05 -1.12 1.55 0.00 0.00 175.35 173.51 1ckv s SER 45 N 6.38 2.84 0.42 1.43 0.01 -1.26 -4.92 113.70 118.59 1ckv s SER 45 Ca 0.57 -1.42 0.13 0.00 1.31 0.00 0.00 55.95 56.55 1ckv s SER 45 Cb -0.03 -0.08 0.73 0.00 0.21 0.00 0.00 66.02 66.85 1ckv s SER 45 CO -0.06 -0.61 1.31 0.44 0.41 0.00 0.00 173.24 174.73 1ckv h ASP 46 N 1.97 0.00 0.25 2.44 3.32 -1.99 0.30 116.42 122.71 1ckv h ASP 46 Ca -0.41 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1ckv h ASP 46 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ckv h ASP 46 CO 0.71 0.00 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.04 1ckv h GLU 47 N 0.00 -0.32 -0.54 3.56 4.81 -1.93 -3.20 114.58 116.95 1ckv h GLU 47 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ckv h GLU 47 Cb 0.85 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1ckv h GLU 47 CO 0.00 -0.21 0.31 0.82 -0.73 0.00 0.00 179.01 179.20 1ckv h ILE 48 N -0.74 1.17 -0.92 2.32 5.03 -1.30 -1.87 117.51 121.20 1ckv h ILE 48 Ca -0.03 -0.42 0.09 0.00 -0.12 0.00 0.00 64.86 64.38 1ckv h ILE 48 Cb 0.25 0.47 -0.12 0.00 -3.03 0.00 0.00 36.82 34.39 1ckv h ILE 48 CO 0.06 0.18 -0.55 0.78 -0.68 0.00 0.00 178.15 177.94 1ckv h ASN 49 N 0.73 -2.01 0.16 1.72 2.35 -1.15 0.57 115.58 117.95 1ckv h ASN 49 Ca 0.19 0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 56.25 1ckv h ASN 49 Cb 0.02 0.90 0.00 0.00 0.05 0.00 0.00 38.32 39.30 1ckv h ASN 49 CO -0.03 -0.26 -0.08 0.74 -1.65 0.00 0.00 177.43 176.15 1ckv h THR 50 N -0.05 0.00 -0.82 2.81 2.02 -1.54 -3.02 112.91 112.31 1ckv h THR 50 Ca 0.18 -0.57 0.18 0.00 0.77 0.00 0.00 66.41 66.98 1ckv h THR 50 Cb 0.46 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.72 1ckv h THR 50 CO -0.90 0.00 -0.07 0.15 0.37 0.00 0.00 175.52 175.06 1ckv h PHE 51 N -0.79 -0.20 -0.32 3.16 3.57 -1.27 0.24 116.94 121.34 1ckv h PHE 51 Ca -0.02 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1ckv h PHE 51 Cb 0.17 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1ckv h PHE 51 CO 0.01 -0.32 0.12 0.97 -2.23 0.00 0.00 178.31 176.87 1ckv h ILE 52 N 0.05 0.93 -0.37 1.41 6.09 0.01 0.42 117.51 126.04 1ckv h ILE 52 Ca 0.43 -0.09 0.07 0.00 -1.37 0.00 0.00 64.86 63.90 1ckv h ILE 52 Cb 0.75 0.64 -0.07 0.00 0.47 0.00 0.00 36.82 38.62 1ckv h ILE 52 CO -0.78 0.05 -0.05 1.05 -3.07 0.00 0.00 178.15 175.35 1ckv h GLU 53 N 0.27 0.05 0.00 2.19 4.11 -0.46 -2.47 114.58 118.27 1ckv h GLU 53 Ca 0.14 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1ckv h GLU 53 Cb 0.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ckv h GLU 53 CO -0.13 0.03 0.00 0.39 0.07 0.00 0.00 179.01 179.37 1ckv n GLU 54 N -5.24 0.00 -0.03 1.06 1.02 -0.30 -2.62 120.64 114.52 1ckv n GLU 54 Ca 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1ckv n GLU 54 Cb 0.20 -0.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.97 1ckv n GLU 54 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1ckv n ILE 55 N -0.40 -0.05 0.05 -3.67 0.00 0.14 0.13 119.36 115.56 1ckv n ILE 55 Ca 0.00 0.20 -0.03 0.00 0.00 0.00 0.00 62.75 62.92 1ckv n ILE 55 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 39.64 39.38 1ckv n ILE 55 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1ckv h LEU 56 N 0.00 -0.14 -1.62 9.51 4.07 -1.61 -3.03 115.31 122.49 1ckv h LEU 56 Ca 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 1ckv h LEU 56 Cb 0.04 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1ckv h LEU 56 CO -0.08 0.03 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.10 1ckv h LEU 57 N -0.41 0.06 0.28 1.67 -0.00 -1.15 0.99 115.31 116.75 1ckv h LEU 57 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1ckv h LEU 57 Cb 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1ckv h LEU 57 CO 0.03 0.21 -0.13 0.71 -0.00 0.00 0.00 178.44 179.25 1ckv h THR 58 N 0.06 0.00 0.11 0.22 1.35 0.92 -2.83 112.91 112.74 1ckv h THR 58 Ca 0.01 -0.05 -0.22 0.00 -0.55 0.00 0.00 66.41 65.61 1ckv h THR 58 Cb 0.29 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.71 1ckv h THR 58 CO 0.02 0.00 -1.09 0.44 -0.25 0.00 0.00 175.52 174.64 1ckv h ASP 59 N -0.42 0.36 0.92 5.36 3.32 -1.51 -2.92 116.42 121.54 1ckv h ASP 59 Ca -0.04 -0.88 -0.02 0.00 0.02 0.00 0.00 57.03 56.12 1ckv h ASP 59 Cb 0.29 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1ckv h ASP 59 CO 0.06 1.49 -0.08 1.88 -1.72 0.00 0.00 179.24 180.87 1ckv h TYR 60 N -0.42 0.00 0.02 4.55 -1.99 0.91 -2.00 116.97 118.04 1ckv h TYR 60 Ca -0.23 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.17 1ckv h TYR 60 Cb 1.63 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 40.32 1ckv h TYR 60 CO 0.16 0.08 -1.85 1.17 -0.00 0.00 0.00 178.16 177.72 1ckv n LYS 61 N -3.23 0.60 -0.05 4.88 3.00 -1.07 -2.92 118.16 119.37 1ckv n LYS 61 Ca 0.00 0.41 -0.09 0.00 -0.00 0.00 0.00 58.31 58.63 1ckv n LYS 61 Cb 0.34 -1.65 -0.02 0.00 0.00 0.00 0.00 35.03 33.70 1ckv n LYS 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ckv h LYS 62 N -0.79 0.17 0.00 1.64 3.64 -1.54 -3.44 116.57 116.25 1ckv h LYS 62 Ca -0.49 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ckv h LYS 62 Cb 1.54 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1ckv h LYS 62 CO -0.23 0.11 0.00 0.27 -2.27 0.00 0.00 179.45 177.33 1ckv n ASN 63 N -5.05 0.00 0.00 4.20 2.04 -0.77 -5.05 115.26 110.64 1ckv n ASN 63 Ca -0.02 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.12 1ckv n ASN 63 Cb 0.09 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 1ckv n ASN 63 CO 0.00 0.00 0.00 0.52 -0.44 0.00 0.00 177.26 177.34 1ckv n VAL 64 N 0.00 0.00 0.00 3.53 0.31 -1.11 -4.72 118.33 116.34 1ckv n VAL 64 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ckv n VAL 64 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ckv n VAL 64 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ckv n ASN 65 N -2.23 0.00 -0.17 4.52 4.13 -1.15 -5.00 115.26 115.36 1ckv n ASN 65 Ca 0.00 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.40 1ckv n ASN 65 Cb 0.00 0.00 0.63 0.00 -1.54 0.00 0.00 39.78 38.87 1ckv n ASN 65 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1ckv n PRO 66 N -0.13 0.90 0.00 3.52 -0.04 -1.26 -4.45 135.00 133.55 1ckv n PRO 66 Ca 0.00 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.12 1ckv n PRO 66 Cb 0.00 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 1ckv n PRO 66 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1ckv n THR 67 N -0.75 0.00 -3.08 0.52 5.66 -1.26 -4.77 114.28 110.61 1ckv n THR 67 Ca 0.16 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.06 1ckv n THR 67 Cb 0.27 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.02 1ckv n THR 67 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1ckv n VAL 68 N 0.00 -0.31 -2.86 1.08 3.14 -1.19 -4.81 118.33 113.38 1ckv n VAL 68 Ca 0.00 -0.16 -0.40 0.00 -2.96 0.00 0.00 64.34 60.82 1ckv n VAL 68 Cb 0.00 -0.33 -0.06 0.00 -1.06 0.00 0.00 33.84 32.40 1ckv n VAL 68 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1ckv s ASN 69 N -3.35 7.49 0.17 6.55 2.20 0.70 -4.78 114.94 123.92 1ckv s ASN 69 Ca 0.02 1.77 -0.01 0.00 -0.94 0.00 0.00 52.86 53.71 1ckv s ASN 69 Cb -0.01 -2.55 -0.04 0.00 -2.00 0.00 0.00 41.25 36.64 1ckv s ASN 69 CO 0.34 0.15 0.35 0.54 -2.94 0.00 0.00 177.10 175.53 1ckv s VAL 70 N -0.95 5.25 -0.12 3.54 0.11 -1.25 -0.31 120.40 126.66 1ckv s VAL 70 Ca 0.39 -0.38 -0.04 0.00 -2.93 0.00 0.00 61.98 59.03 1ckv s VAL 70 Cb -0.24 -3.71 0.05 0.00 -1.53 0.00 0.00 36.38 30.96 1ckv s VAL 70 CO 0.29 -0.09 0.14 -1.61 -3.33 0.00 0.00 175.10 170.49 1ckv s GLU 71 N -3.12 0.05 -0.36 1.54 2.02 0.41 -4.86 118.70 114.37 1ckv s GLU 71 Ca 0.38 0.33 -0.24 0.00 0.02 0.00 0.00 54.97 55.45 1ckv s GLU 71 Cb -0.11 -0.81 0.01 0.00 0.10 0.00 0.00 34.13 33.32 1ckv s GLU 71 CO 0.28 -0.45 0.83 0.16 0.02 0.00 0.00 175.26 176.11 1ckv s ASP 72 N 2.24 6.60 0.00 -0.19 -4.77 -1.26 0.17 116.67 119.47 1ckv s ASP 72 Ca 0.04 0.45 0.00 0.00 -3.30 0.00 0.00 52.55 49.74 1ckv s ASP 72 Cb -0.14 -2.42 0.00 0.00 -1.09 0.00 0.00 42.92 39.27 1ckv s ASP 72 CO -0.07 -0.77 0.00 0.54 0.70 0.00 0.00 175.17 175.57 1ckv n ARG 73 N 6.53 0.00 0.01 2.11 5.12 -1.11 -4.92 116.66 124.41 1ckv n ARG 73 Ca 0.04 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.81 1ckv n ARG 73 Cb 0.48 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.74 1ckv n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ckv h ALA 74 N -2.00 0.38 0.00 7.54 0.00 -2.02 -3.45 119.26 119.70 1ckv h ALA 74 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ckv h ALA 74 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ckv h ALA 74 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1ckv n GLY 75 N 0.72 0.19 3.88 0.00 0.00 -1.26 -5.14 105.19 103.57 1ckv n GLY 75 Ca -0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1ckv n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ckv s TYR 76 N -0.94 3.45 0.04 1.61 2.02 -1.26 -4.44 117.35 117.82 1ckv s TYR 76 Ca 0.00 1.09 -0.12 0.00 -0.37 0.00 0.00 57.07 57.68 1ckv s TYR 76 Cb 0.00 -2.87 -0.06 0.00 -0.40 0.00 0.00 41.96 38.64 1ckv s TYR 76 CO 0.00 -0.91 0.39 -1.58 -1.57 0.00 0.00 175.55 171.88 1ckv s TRP 77 N -3.23 3.64 -0.37 2.71 0.52 -1.24 -2.75 118.94 118.23 1ckv s TRP 77 Ca 0.56 0.86 -0.08 0.00 0.02 0.00 0.00 56.10 57.45 1ckv s TRP 77 Cb -0.11 -2.20 0.05 0.00 -1.15 0.00 0.00 33.47 30.06 1ckv s TRP 77 CO 0.52 0.58 0.17 -1.58 0.02 0.00 0.00 176.95 176.65 1ckv s TRP 78 N -1.25 3.28 -0.37 -1.98 0.52 0.45 -3.79 118.94 115.79 1ckv s TRP 78 Ca 0.28 -1.34 -0.15 0.00 0.02 0.00 0.00 56.10 54.92 1ckv s TRP 78 Cb -0.15 -2.48 -0.00 0.00 -1.15 0.00 0.00 33.47 29.68 1ckv s TRP 78 CO 0.15 -0.74 0.34 0.96 0.02 0.00 0.00 176.95 177.69 1ckv s ILE 79 N 1.44 5.19 -0.01 2.03 -0.00 -1.11 0.15 121.20 128.89 1ckv s ILE 79 Ca 0.01 -0.18 0.07 0.00 -0.00 0.00 0.00 60.65 60.55 1ckv s ILE 79 Cb -0.20 -3.86 -0.02 0.00 -0.00 0.00 0.00 42.46 38.38 1ckv s ILE 79 CO 0.04 -0.17 -0.23 -0.75 -0.00 0.00 0.00 174.94 173.83 1ckv s LYS 80 N 1.93 1.84 -0.04 0.37 2.20 0.57 -2.11 119.74 124.51 1ckv s LYS 80 Ca 0.10 -0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 54.84 1ckv s LYS 80 Cb -0.17 -1.79 0.01 0.00 -1.51 0.00 0.00 37.83 34.37 1ckv s LYS 80 CO 0.12 0.49 0.11 0.00 -0.36 0.00 0.00 175.35 175.70 1ckv s ALA 81 N -0.55 -0.25 -0.50 3.13 0.00 -0.11 -0.22 121.76 123.27 1ckv s ALA 81 Ca 0.09 0.33 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1ckv s ALA 81 Cb -0.09 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1ckv s ALA 81 CO -0.01 -0.06 1.30 0.54 0.00 0.00 0.00 175.76 177.53 1ckv s ASN 82 N 0.20 6.39 0.00 0.00 6.03 -1.26 -1.87 114.94 124.43 1ckv s ASN 82 Ca -0.01 0.47 0.00 0.00 -1.03 0.00 0.00 52.86 52.29 1ckv s ASN 82 Cb -0.02 -2.55 0.00 0.00 -3.03 0.00 0.00 41.25 35.65 1ckv s ASN 82 CO -0.01 -1.46 0.00 0.61 -2.03 0.00 0.00 177.10 174.21 1ckv n GLY 83 N 5.06 2.54 0.00 0.45 0.00 -1.26 -4.96 105.19 107.02 1ckv n GLY 83 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1ckv n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ckv n LYS 84 N 0.00 0.00 -4.15 1.61 0.00 -1.26 -3.58 118.16 110.78 1ckv n LYS 84 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1ckv n LYS 84 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 34.93 1ckv n LYS 84 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1ckv s ILE 85 N -2.00 0.59 -0.10 0.58 2.07 0.47 -4.92 121.20 117.90 1ckv s ILE 85 Ca 0.00 -1.88 -0.03 0.00 -1.41 0.00 0.00 60.65 57.33 1ckv s ILE 85 Cb 0.00 -1.61 0.05 0.00 0.13 0.00 0.00 42.46 41.03 1ckv s ILE 85 CO 0.00 -0.88 0.14 -1.83 -1.91 0.00 0.00 174.94 170.46 1ckv s GLU 86 N -3.76 0.03 -0.16 3.50 -1.05 -1.26 0.14 118.70 116.14 1ckv s GLU 86 Ca 0.10 0.45 -0.16 0.00 -0.15 0.00 0.00 54.97 55.21 1ckv s GLU 86 Cb 0.05 -0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 33.17 1ckv s GLU 86 CO -0.06 -0.38 0.38 0.08 0.95 0.00 0.00 175.26 176.23 1ckv s VAL 87 N 2.26 5.24 0.50 1.83 1.01 0.25 -4.88 120.40 126.61 1ckv s VAL 87 Ca 0.04 0.71 -0.19 0.00 0.00 0.00 0.00 61.98 62.54 1ckv s VAL 87 Cb -0.13 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 1ckv s VAL 87 CO -0.06 0.33 1.01 -1.81 0.00 0.00 0.00 175.10 174.57 1ckv s ASP 88 N 0.68 6.45 -0.47 3.32 1.01 -1.26 0.14 116.67 126.54 1ckv s ASP 88 Ca 0.20 1.76 -0.10 0.00 0.71 0.00 0.00 52.55 55.12 1ckv s ASP 88 Cb -0.14 -2.54 0.12 0.00 1.01 0.00 0.00 42.92 41.37 1ckv s ASP 88 CO 0.07 -0.70 0.35 0.00 0.21 0.00 0.00 175.17 175.09 1ckv n ASP 90 N 4.94 0.00 0.00 0.00 2.03 -1.26 -4.63 116.55 117.63 1ckv n ASP 90 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 1ckv n ASP 90 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ckv n GLU 91 N 0.00 0.00 0.29 -0.67 -0.58 -1.26 -1.84 120.64 116.58 1ckv n GLU 91 Ca 0.00 0.36 -0.17 0.00 -0.42 0.00 0.00 57.16 56.93 1ckv n GLU 91 Cb 0.00 -1.09 -0.09 0.00 -0.57 0.00 0.00 31.44 29.70 1ckv n GLU 91 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1ckv h ILE 92 N 0.00 0.18 -1.16 -3.67 2.10 -1.86 -2.06 117.51 111.04 1ckv h ILE 92 Ca 0.00 0.00 0.35 0.00 1.08 0.00 0.00 64.86 66.29 1ckv h ILE 92 Cb 0.00 0.18 -0.12 0.00 -1.09 0.00 0.00 36.82 35.79 1ckv h ILE 92 CO 0.00 0.00 0.74 0.77 -1.08 0.00 0.00 178.15 178.58 1ckv h SER 93 N -0.89 0.36 -0.38 2.19 4.64 -1.89 1.61 113.55 119.19 1ckv h SER 93 Ca -0.05 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 1ckv h SER 93 Cb 0.77 0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1ckv h SER 93 CO -0.02 -0.06 0.20 -0.33 -0.87 0.00 0.00 176.83 175.75 1ckv h GLU 94 N 0.25 0.39 0.00 4.77 4.39 -0.63 1.04 114.58 124.79 1ckv h GLU 94 Ca 0.71 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.39 1ckv h GLU 94 Cb 2.00 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.56 1ckv h GLU 94 CO -0.39 0.26 -0.88 -0.11 -1.16 0.00 0.00 179.01 176.73 1ckv n LEU 95 N -4.92 0.74 -1.53 1.33 -0.00 0.11 -2.67 117.00 110.06 1ckv n LEU 95 Ca 0.01 0.23 0.10 0.00 -0.00 0.00 0.00 56.01 56.35 1ckv n LEU 95 Cb 0.08 -0.11 0.35 0.00 -0.00 0.00 0.00 43.42 43.75 1ckv n LEU 95 CO 0.31 -0.10 0.81 0.18 -0.00 0.00 0.00 177.39 178.59 1ckv n LEU 96 N -2.34 4.52 0.00 -1.96 7.99 0.51 -4.86 117.00 120.85 1ckv n LEU 96 Ca 0.01 -2.27 0.00 0.00 -0.01 0.00 0.00 56.01 53.74 1ckv n LEU 96 Cb 0.49 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 1ckv n LEU 96 CO 0.39 0.87 0.00 0.61 -1.51 0.00 0.00 177.39 177.75 1ckv n GLY 97 N 1.34 0.58 2.20 -0.72 0.00 0.14 -4.87 105.19 103.86 1ckv n GLY 97 Ca 0.26 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1ckv n GLY 97 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ckv n ARG 98 N 0.00 0.00 -1.37 1.61 0.00 0.31 -1.74 116.66 115.48 1ckv n ARG 98 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1ckv n ARG 98 Cb 0.00 -0.68 -0.05 0.00 -0.00 0.00 0.00 32.46 31.73 1ckv n ARG 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1ckv n GLN 99 N 1.04 -1.02 0.00 2.89 6.02 -1.26 -4.95 117.38 120.11 1ckv n GLN 99 Ca 0.05 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 57.98 1ckv n GLN 99 Cb 0.32 -5.02 0.00 0.00 1.02 0.00 0.00 30.24 26.56 1ckv n GLN 99 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ckv n PHE 100 N -2.56 -2.48 -2.30 1.08 3.72 -0.71 -5.10 117.46 109.12 1ckv n PHE 100 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1ckv n PHE 100 Cb 0.45 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 1ckv n PHE 100 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ckv n ASN 101 N -1.96 0.00 -0.05 4.37 3.02 -1.26 -5.07 115.26 114.32 1ckv n ASN 101 Ca 0.00 -0.95 -0.06 0.00 -0.03 0.00 0.00 54.58 53.55 1ckv n ASN 101 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1ckv n ASN 101 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1ckv n VAL 102 N -1.26 0.60 1.99 2.41 3.14 -1.26 -4.51 118.33 119.44 1ckv n VAL 102 Ca 0.00 -0.31 0.10 0.00 -2.96 0.00 0.00 64.34 61.17 1ckv n VAL 102 Cb 0.00 -0.82 0.58 0.00 -1.06 0.00 0.00 33.84 32.53 1ckv n VAL 102 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1ckv n TYR 103 N -2.53 0.00 -0.27 1.45 4.01 -1.26 -3.77 117.16 114.80 1ckv n TYR 103 Ca -0.16 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.58 1ckv n TYR 103 Cb 0.75 0.00 0.21 0.00 -0.31 0.00 0.00 39.34 39.99 1ckv n TYR 103 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1ckv h ASP 104 N 0.00 0.94 -0.52 7.72 3.32 -1.98 1.00 116.42 126.90 1ckv h ASP 104 Ca 0.00 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1ckv h ASP 104 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1ckv h ASP 104 CO 0.00 0.67 0.16 0.15 -1.72 0.00 0.00 179.24 178.50 1ckv h PHE 105 N 1.10 0.85 -0.55 4.55 3.04 -1.91 -2.93 116.94 121.08 1ckv h PHE 105 Ca 0.32 -0.09 -0.21 0.00 3.98 0.00 0.00 57.97 61.97 1ckv h PHE 105 Cb -0.08 -0.24 -0.12 0.00 2.56 0.00 0.00 35.95 38.06 1ckv h PHE 105 CO -0.00 0.73 0.16 -0.11 -2.02 0.00 0.00 178.31 177.07 1ckv n LEU 106 N -4.47 5.09 0.20 0.59 7.94 -0.89 -4.51 117.00 120.95 1ckv n LEU 106 Ca 0.02 -3.43 0.08 0.00 -1.11 0.00 0.00 56.01 51.57 1ckv n LEU 106 Cb 0.20 -0.68 0.34 0.00 0.53 0.00 0.00 43.42 43.80 1ckv n LEU 106 CO 0.39 0.97 0.71 1.62 -1.11 0.00 0.00 177.39 179.97 1ckv h VAL 107 N 1.66 0.66 0.00 1.96 3.04 0.12 -3.47 116.25 120.22 1ckv h VAL 107 Ca 0.26 -1.42 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 1ckv h VAL 107 Cb 2.02 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 33.24 1ckv h VAL 107 CO 0.58 0.29 0.00 0.47 -1.01 0.00 0.00 177.57 177.90 1ckv n ASP 108 N -3.37 0.00 -1.29 3.17 8.00 -1.26 -5.06 116.55 116.74 1ckv n ASP 108 Ca 0.01 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.65 1ckv n ASP 108 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 1ckv n ASP 108 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ckv n VAL 109 N -0.27 -0.75 -0.12 2.53 0.31 -1.26 -4.47 118.33 114.30 1ckv n VAL 109 Ca 0.00 0.77 -0.05 0.00 -0.01 0.00 0.00 64.34 65.06 1ckv n VAL 109 Cb 0.00 -1.17 0.03 0.00 -0.91 0.00 0.00 33.84 31.79 1ckv n VAL 109 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1ckv h SER 110 N -1.37 0.02 -4.47 4.52 0.87 -1.96 -3.45 113.55 107.70 1ckv h SER 110 Ca -0.16 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1ckv h SER 110 Cb 1.15 0.09 -0.21 0.00 -0.44 0.00 0.00 62.40 62.98 1ckv h SER 110 CO 0.06 0.05 0.42 -0.55 -0.53 0.00 0.00 176.83 176.28 1ckv s SER 111 N -5.32 -0.47 -0.49 6.23 0.15 -1.11 -5.03 113.70 107.67 1ckv s SER 111 Ca -0.13 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.05 1ckv s SER 111 Cb 0.13 0.39 0.22 0.00 -1.71 0.00 0.00 66.02 65.06 1ckv s SER 111 CO 0.71 -0.46 0.76 0.35 1.20 0.00 0.00 173.24 175.80 1ckv n THR 112 N 0.70 -0.15 -1.70 6.45 -2.24 -1.26 0.11 114.28 116.19 1ckv n THR 112 Ca -0.13 -1.69 -0.41 0.00 -2.27 0.00 0.00 64.05 59.55 1ckv n THR 112 Cb 0.58 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.56 1ckv n THR 112 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ckv s ILE 113 N 0.54 3.12 0.00 2.28 -1.09 0.34 -4.76 121.20 121.63 1ckv s ILE 113 Ca 0.32 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1ckv s ILE 113 Cb 0.13 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1ckv s ILE 113 CO -0.16 -0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.00 1ckv n GLY 114 N 5.77 4.56 3.69 6.18 0.00 -1.26 -2.33 105.19 121.81 1ckv n GLY 114 Ca 0.30 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1ckv n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ckv s ARG 115 N -3.32 4.39 -0.21 1.61 3.52 0.50 -4.79 118.95 120.64 1ckv s ARG 115 Ca 0.00 1.60 -0.08 0.00 -0.13 0.00 0.00 55.73 57.12 1ckv s ARG 115 Cb 0.00 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.83 1ckv s ARG 115 CO 0.00 -0.37 0.07 0.00 -0.81 0.00 0.00 175.30 174.19 1ckv s ALA 116 N 1.98 3.31 -0.12 6.12 0.00 -1.26 -0.72 121.76 131.08 1ckv s ALA 116 Ca 0.54 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 1ckv s ALA 116 Cb -0.23 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.89 1ckv s ALA 116 CO 0.22 -0.13 -0.09 1.52 0.00 0.00 0.00 175.76 177.27 1ckv s TYR 117 N 0.96 1.64 0.29 0.00 -0.85 -0.75 -5.00 117.35 113.64 1ckv s TYR 117 Ca 0.04 -0.83 0.04 0.00 -0.52 0.00 0.00 57.07 55.80 1ckv s TYR 117 Cb -0.14 -1.30 -0.02 0.00 0.38 0.00 0.00 41.96 40.87 1ckv s TYR 117 CO 0.03 -0.53 0.44 -0.08 -1.52 0.00 0.00 175.55 173.89 1ckv s THR 118 N 1.58 4.93 -0.29 -3.49 -1.32 -1.26 -1.72 115.64 114.06 1ckv s THR 118 Ca 0.03 -0.85 -0.19 0.00 -1.21 0.00 0.00 61.69 59.47 1ckv s THR 118 Cb -0.13 -3.75 0.14 0.00 -1.51 0.00 0.00 72.50 67.25 1ckv s THR 118 CO -0.08 -0.35 1.03 -0.22 -2.21 0.00 0.00 174.62 172.80 1ckv s LEU 119 N -4.12 -0.44 0.00 9.08 0.20 -1.23 -5.00 118.68 117.17 1ckv s LEU 119 Ca 0.38 0.75 0.00 0.00 0.69 0.00 0.00 54.13 55.95 1ckv s LEU 119 Cb -0.09 1.71 0.00 0.00 -0.43 0.00 0.00 46.19 47.38 1ckv s LEU 119 CO 0.31 -0.12 0.00 0.61 -0.29 0.00 0.00 176.35 176.86 1ckv n GLY 120 N 3.10 1.68 2.56 7.98 0.00 -1.26 -3.02 105.19 116.24 1ckv n GLY 120 Ca -0.16 0.47 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 1ckv n GLY 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ckv s ASN 121 N -4.00 2.76 0.00 1.61 2.47 -1.26 -5.02 114.94 111.50 1ckv s ASN 121 Ca 0.00 -2.95 0.00 0.00 0.42 0.00 0.00 52.86 50.33 1ckv s ASN 121 Cb 0.00 -0.76 0.00 0.00 -1.45 0.00 0.00 41.25 39.04 1ckv s ASN 121 CO 0.00 -0.20 0.00 0.29 -3.72 0.00 0.00 177.10 173.47 1ckv n LYS 122 N 3.07 0.00 -4.19 0.43 5.02 -1.17 -4.25 118.16 117.07 1ckv n LYS 122 Ca 0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.14 1ckv n LYS 122 Cb 0.41 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.33 1ckv n LYS 122 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ckv s PHE 123 N 0.00 3.28 -0.17 2.13 -0.71 0.12 -3.49 117.98 119.15 1ckv s PHE 123 Ca 0.00 0.23 -0.02 0.00 -1.04 0.00 0.00 56.93 56.10 1ckv s PHE 123 Cb 0.00 -1.88 -0.01 0.00 -1.21 0.00 0.00 43.02 39.91 1ckv s PHE 123 CO 0.00 0.46 -0.09 0.99 -1.34 0.00 0.00 175.22 175.24 1ckv s THR 124 N -0.64 3.26 -0.25 -4.49 2.01 -0.70 0.84 115.64 115.67 1ckv s THR 124 Ca 0.11 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1ckv s THR 124 Cb -0.12 -2.42 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1ckv s THR 124 CO 0.02 0.48 0.00 -0.63 -0.69 0.00 0.00 174.62 173.81 1ckv s ILE 125 N 0.79 3.54 0.18 1.82 1.09 0.37 -1.81 121.20 127.18 1ckv s ILE 125 Ca -0.03 -0.63 0.09 0.00 -1.10 0.00 0.00 60.65 58.98 1ckv s ILE 125 Cb -0.15 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.49 1ckv s ILE 125 CO 0.01 0.26 -0.12 0.28 -0.10 0.00 0.00 174.94 175.28 1ckv s THR 126 N 1.47 3.06 0.00 2.92 -1.32 0.11 -0.39 115.64 121.48 1ckv s THR 126 Ca 0.04 -1.71 0.09 0.00 -1.21 0.00 0.00 61.69 58.91 1ckv s THR 126 Cb -0.16 -2.51 0.16 0.00 -1.51 0.00 0.00 72.50 68.48 1ckv s THR 126 CO -0.01 -0.11 0.98 -0.24 -2.21 0.00 0.00 174.62 173.04 1ckv n SER 127 N 0.09 0.14 -2.43 8.08 2.88 -1.25 0.19 113.62 121.33 1ckv n SER 127 Ca -0.11 -1.84 -0.25 0.00 -1.33 0.00 0.00 58.87 55.33 1ckv n SER 127 Cb 0.55 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1ckv n SER 127 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ckv n GLU 128 N 0.18 3.32 -0.12 -1.46 1.02 -1.23 -4.68 120.64 117.66 1ckv n GLU 128 Ca -0.04 -4.39 0.05 0.00 -0.02 0.00 0.00 57.16 52.77 1ckv n GLU 128 Cb 0.83 -2.20 0.08 0.00 -0.02 0.00 0.00 31.44 30.13 1ckv n GLU 128 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ckv n LEU 129 N -0.49 1.71 -0.74 -4.62 4.32 -1.26 -4.96 117.00 110.95 1ckv n LEU 129 Ca 0.38 -2.29 -0.10 0.00 -0.02 0.00 0.00 56.01 53.98 1ckv n LEU 129 Cb 0.71 -0.23 -0.04 0.00 -1.62 0.00 0.00 43.42 42.24 1ckv n LEU 129 CO 0.33 0.54 -0.09 0.80 -1.22 0.00 0.00 177.39 177.75 1ckv n MET 130 N -0.89 -1.19 -2.74 3.23 1.56 -1.26 -4.90 117.12 110.93 1ckv n MET 130 Ca 0.09 0.79 -0.42 0.00 -0.27 0.00 0.00 57.70 57.89 1ckv n MET 130 Cb 0.56 -4.91 0.02 0.00 2.15 0.00 0.00 33.22 31.03 1ckv n MET 130 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1ckv n GLY 131 N -0.77 5.89 2.37 -5.12 0.00 -1.26 -4.77 105.19 101.53 1ckv n GLY 131 Ca -0.10 -2.60 -0.28 0.00 0.00 0.00 0.00 46.02 43.04 1ckv n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ckv n LEU 132 N 0.31 6.88 -2.27 0.99 4.32 -1.26 -4.76 117.00 121.20 1ckv n LEU 132 Ca 0.41 -4.03 -0.20 0.00 -0.02 0.00 0.00 56.01 52.17 1ckv n LEU 132 Cb 0.28 -1.11 -0.02 0.00 -1.62 0.00 0.00 43.42 40.95 1ckv n LEU 132 CO 0.58 1.55 -0.25 0.47 -1.22 0.00 0.00 177.39 178.52 1ckv n ASP 133 N 0.17 -5.73 -0.08 -1.43 8.00 -1.26 -4.89 116.55 111.33 1ckv n ASP 133 Ca 0.47 0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.91 1ckv n ASP 133 Cb 0.52 -4.82 -0.10 0.00 -0.02 0.00 0.00 41.12 36.70 1ckv n ASP 133 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1ckv h ARG 134 N 0.00 0.00 0.00 -1.24 9.65 -1.86 -3.38 114.38 117.55 1ckv h ARG 134 Ca -0.47 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1ckv h ARG 134 Cb 1.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 1ckv h ARG 134 CO 0.58 0.82 -1.25 0.36 2.80 0.00 0.00 179.97 183.28 1ckv n LYS 135 N -4.58 0.45 0.00 0.20 2.85 -1.26 -4.93 118.16 110.89 1ckv n LYS 135 Ca -0.15 -0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.09 1ckv n LYS 135 Cb 0.47 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1ckv n LYS 135 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ckv n LEU 136 N -2.20 0.00 0.00 -5.58 4.77 -1.26 -4.39 117.00 108.33 1ckv n LEU 136 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ckv n LEU 136 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1ckv n LEU 136 CO 0.42 -0.06 0.00 -0.62 -1.33 0.00 0.00 177.39 175.79 1ckv n GLU 137 N 0.00 0.00 -1.26 3.23 -0.58 -1.26 -4.74 120.64 116.03 1ckv n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ckv n GLU 137 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ckv n GLU 137 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ckv n ASP 138 N 2.36 1.95 -2.16 1.62 -0.08 -1.26 -5.05 116.55 113.92 1ckv n ASP 138 Ca 0.00 -0.63 0.00 0.00 -1.51 0.00 0.00 54.79 52.65 1ckv n ASP 138 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1ckv n ASP 138 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ckv n TYR 139 N 0.00 -4.66 -3.97 -0.67 9.36 -1.26 -5.01 117.16 110.95 1ckv n TYR 139 Ca 0.00 2.79 -0.26 0.00 3.32 0.00 0.00 57.90 63.74 1ckv n TYR 139 Cb 0.00 -3.70 -0.04 0.00 -0.63 0.00 0.00 39.34 34.97 1ckv n TYR 139 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1ckv s HIS 140 N -0.54 3.42 0.00 2.98 3.76 -1.26 -5.02 115.29 118.63 1ckv s HIS 140 Ca 0.00 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 1ckv s HIS 140 Cb 0.00 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1ckv s HIS 140 CO 0.00 0.52 0.00 0.00 -0.85 0.00 0.00 174.74 174.41