#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 -1.07 -0.20 6.12 1.04 -1.26 -5.15 113.70 113.18 1ckv s SER 2 Ca 0.00 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.15 1ckv s SER 2 Cb 0.00 1.53 0.07 0.00 0.10 0.00 0.00 66.02 67.71 1ckv s SER 2 CO 0.00 -0.16 0.48 0.54 0.98 0.00 0.00 173.24 175.08 1ckv s VAL 3 N 2.43 -0.06 -0.00 5.02 0.11 -1.26 -5.17 120.40 121.48 1ckv s VAL 3 Ca 0.17 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.25 1ckv s VAL 3 Cb -0.04 -0.71 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 1ckv s VAL 3 CO -0.18 0.03 0.08 0.21 -3.33 0.00 0.00 175.10 171.91 1ckv s ASN 4 N 1.53 0.05 0.37 3.54 3.84 -1.26 -5.04 114.94 117.97 1ckv s ASN 4 Ca -0.09 -0.17 0.05 0.00 0.21 0.00 0.00 52.86 52.86 1ckv s ASN 4 Cb -0.08 0.17 0.73 0.00 -0.55 0.00 0.00 41.25 41.53 1ckv s ASN 4 CO -0.15 -0.25 1.98 0.77 -2.79 0.00 0.00 177.10 176.67 1ckv h SER 5 N 4.90 0.51 -4.55 -4.21 4.64 -2.10 -3.43 113.55 109.30 1ckv h SER 5 Ca -0.29 -0.04 -0.28 0.00 -0.47 0.00 0.00 61.79 60.71 1ckv h SER 5 Cb 1.20 -0.13 -0.18 0.00 -0.31 0.00 0.00 62.40 62.99 1ckv h SER 5 CO 0.42 0.45 -0.72 0.20 -0.87 0.00 0.00 176.83 176.31 1ckv s ASN 6 N -6.68 1.20 -0.24 4.97 -0.87 -1.26 -5.16 114.94 106.90 1ckv s ASN 6 Ca -0.08 -0.81 -0.26 0.00 -1.57 0.00 0.00 52.86 50.14 1ckv s ASN 6 Cb 0.17 0.04 0.10 0.00 -0.02 0.00 0.00 41.25 41.54 1ckv s ASN 6 CO 0.75 -0.31 0.88 0.00 -2.57 0.00 0.00 177.10 175.85 1ckv s ALA 7 N -2.56 -1.88 -0.23 0.60 0.00 -1.26 -5.03 121.76 111.39 1ckv s ALA 7 Ca 0.04 1.83 0.14 0.00 0.00 0.00 0.00 51.96 53.97 1ckv s ALA 7 Cb -0.02 -1.10 0.73 0.00 0.00 0.00 0.00 23.12 22.73 1ckv s ALA 7 CO -0.01 -0.30 1.67 0.98 0.00 0.00 0.00 175.76 178.10 1ckv n TYR 8 N 2.06 1.82 0.28 0.00 4.19 -1.26 -4.56 117.16 119.69 1ckv n TYR 8 Ca -0.13 -0.85 0.14 0.00 3.31 0.00 0.00 57.90 60.36 1ckv n TYR 8 Cb 0.56 -0.48 0.72 0.00 0.49 0.00 0.00 39.34 40.63 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 3.19 0.00 1.43 2.98 3.32 -1.97 1.07 116.42 126.44 1ckv h ASP 9 Ca 0.04 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1ckv h ASP 9 Cb 1.89 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.43 1ckv h ASP 9 CO 0.45 0.00 -0.21 0.00 -1.72 0.00 0.00 179.24 177.77 1ckv h ALA 10 N 1.41 0.91 0.00 3.45 0.00 -2.04 -3.33 119.26 119.66 1ckv h ALA 10 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ckv h ALA 10 Cb 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ckv h ALA 10 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1ckv n GLY 11 N 0.73 0.56 0.29 0.00 0.00 0.28 -4.70 105.19 102.36 1ckv n GLY 11 Ca 0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.23 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 0.63 0.52 117.51 117.97 1ckv h ILE 12 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 64.86 64.80 1ckv h ILE 12 Cb 0.03 0.93 0.00 0.00 -0.00 0.00 0.00 36.82 37.78 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 -2.87 1.36 0.00 0.16 0.00 -1.26 -0.69 117.12 113.82 1ckv n MET 13 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 57.70 57.13 1ckv n MET 13 Cb 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 0.77 0.00 0.00 3.03 0.00 0.15 -3.94 105.19 105.20 1ckv n GLY 14 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1ckv n GLY 14 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ckv n LEU 15 N -2.26 0.20 -1.32 0.99 -0.00 0.91 -2.45 117.00 113.07 1ckv n LEU 15 Ca 0.00 0.68 0.10 0.00 -0.00 0.00 0.00 56.01 56.80 1ckv n LEU 15 Cb 0.05 -0.25 0.31 0.00 -0.00 0.00 0.00 43.42 43.53 1ckv n LEU 15 CO 0.00 -0.25 0.77 0.29 -0.00 0.00 0.00 177.39 178.20 1ckv n LYS 16 N -1.26 3.02 -0.00 1.96 4.01 -1.25 -4.17 118.16 120.47 1ckv n LYS 16 Ca 0.00 -2.66 0.04 0.00 -0.51 0.00 0.00 58.31 55.18 1ckv n LYS 16 Cb 0.00 -1.62 -0.06 0.00 -0.51 0.00 0.00 35.03 32.84 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 1.34 -0.13 2.67 0.72 0.00 0.14 -4.81 105.19 105.13 1ckv n GLY 17 Ca 0.23 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.24 1.74 0.00 1.61 2.47 -1.03 -4.69 119.74 117.60 1ckv s LYS 18 Ca -0.01 -2.75 0.00 0.00 -1.56 0.00 0.00 55.97 51.66 1ckv s LYS 18 Cb 0.06 -2.51 0.00 0.00 -1.46 0.00 0.00 37.83 33.92 1ckv s LYS 18 CO 0.33 -1.32 0.33 -3.47 0.16 0.00 0.00 175.35 171.38 1ckv n ASP 19 N 2.43 0.00 -1.31 1.43 2.03 -1.26 -4.74 116.55 115.12 1ckv n ASP 19 Ca 0.23 -1.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.37 1ckv n ASP 19 Cb 0.40 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.73 1ckv n ASP 19 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1ckv n PHE 20 N 0.00 -0.01 -0.12 -0.67 7.35 -1.26 -4.95 117.46 117.80 1ckv n PHE 20 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 1ckv n PHE 20 Cb 0.44 -3.21 0.13 0.00 0.35 0.00 0.00 39.48 37.19 1ckv n PHE 20 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ckv n ALA 21 N 1.30 -2.25 -1.16 3.13 0.00 -1.26 -3.71 120.51 116.57 1ckv n ALA 21 Ca -0.17 -0.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.55 1ckv n ALA 21 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 20.02 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 -4.22 -5.51 -0.03 0.00 2.03 -1.26 -4.64 116.55 102.91 1ckv n ASP 22 Ca 0.06 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1ckv n ASP 22 Cb 0.26 -3.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.17 1ckv n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ckv n GLN 23 N -0.36 0.00 -0.13 -0.67 6.02 -1.24 -4.88 117.38 116.11 1ckv n GLN 23 Ca -0.05 -0.43 -0.28 0.00 -0.01 0.00 0.00 57.00 56.23 1ckv n GLN 23 Cb 0.49 -0.41 -0.10 0.00 1.02 0.00 0.00 30.24 31.24 1ckv n GLN 23 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1ckv n PHE 24 N 0.00 0.17 -4.06 1.08 3.72 -1.26 -4.90 117.46 112.21 1ckv n PHE 24 Ca 0.00 0.07 -0.32 0.00 -0.05 0.00 0.00 57.45 57.15 1ckv n PHE 24 Cb 0.51 -1.00 -0.15 0.00 -0.94 0.00 0.00 39.48 37.90 1ckv n PHE 24 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1ckv s PHE 25 N -2.50 2.94 0.00 1.38 5.36 -1.26 -5.08 117.98 118.82 1ckv s PHE 25 Ca -0.37 -1.98 0.00 0.00 -0.96 0.00 0.00 56.93 53.62 1ckv s PHE 25 Cb 0.13 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.96 1ckv s PHE 25 CO 0.50 -0.83 0.00 0.00 -1.46 0.00 0.00 175.22 173.43 1ckv n ALA 26 N 4.54 0.00 -1.23 11.12 0.00 -1.26 -4.86 120.51 128.82 1ckv n ALA 26 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 1ckv n ALA 26 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 1ckv n ALA 26 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ckv n ASP 27 N 0.00 -4.84 0.26 0.00 -0.08 -1.26 -4.85 116.55 105.78 1ckv n ASP 27 Ca 0.00 0.20 0.09 0.00 -1.51 0.00 0.00 54.79 53.57 1ckv n ASP 27 Cb 0.00 -3.04 0.68 0.00 2.34 0.00 0.00 41.12 41.10 1ckv n ASP 27 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ckv h GLU 28 N 0.14 0.00 -4.43 -0.67 3.07 -2.03 -3.48 114.58 107.18 1ckv h GLU 28 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1ckv h GLU 28 Cb 0.81 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.69 1ckv h GLU 28 CO 0.24 0.01 -1.01 0.09 -1.40 0.00 0.00 179.01 176.94 1ckv n ASN 29 N -4.40 -6.01 -4.89 1.42 5.03 -1.26 -5.00 115.26 100.14 1ckv n ASN 29 Ca -0.03 1.46 -0.29 0.00 0.87 0.00 0.00 54.58 56.59 1ckv n ASN 29 Cb 0.10 -4.62 -0.03 0.00 -1.02 0.00 0.00 39.78 34.20 1ckv n ASN 29 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1ckv s GLN 30 N -0.80 3.70 -0.12 3.52 -0.21 -1.26 -5.08 119.66 119.41 1ckv s GLN 30 Ca -0.08 0.21 -0.07 0.00 0.02 0.00 0.00 55.36 55.44 1ckv s GLN 30 Cb 0.01 -2.54 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 1ckv s GLN 30 CO 0.21 0.11 0.14 0.54 -2.12 0.00 0.00 175.29 174.17 1ckv s VAL 31 N -2.20 5.50 -0.11 1.09 0.11 -1.26 -5.10 120.40 118.43 1ckv s VAL 31 Ca 0.47 0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.71 1ckv s VAL 31 Cb -0.11 -3.40 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 1ckv s VAL 31 CO 0.30 0.62 -0.06 0.54 -3.33 0.00 0.00 175.10 173.18 1ckv s VAL 32 N -1.02 3.77 -0.28 2.04 0.11 -1.26 -5.09 120.40 118.67 1ckv s VAL 32 Ca 0.15 -0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 58.72 1ckv s VAL 32 Cb -0.12 -2.60 0.01 0.00 -1.53 0.00 0.00 36.38 32.14 1ckv s VAL 32 CO 0.04 0.55 0.04 -2.28 -3.33 0.00 0.00 175.10 170.12 1ckv s HIS 33 N -0.21 3.12 -0.77 1.54 2.46 -1.26 -4.76 115.29 115.42 1ckv s HIS 33 Ca 0.03 -1.09 -0.21 0.00 0.47 0.00 0.00 55.06 54.26 1ckv s HIS 33 Cb -0.13 -2.20 0.03 0.00 -0.13 0.00 0.00 32.58 30.15 1ckv s HIS 33 CO 0.03 -0.60 0.44 0.39 -2.47 0.00 0.00 174.74 172.52 1ckv n GLU 34 N 4.82 -0.55 -2.86 2.88 1.02 -1.26 -4.88 120.64 119.81 1ckv n GLU 34 Ca -0.15 -0.07 -0.36 0.00 -0.02 0.00 0.00 57.16 56.56 1ckv n GLU 34 Cb 0.48 -1.30 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 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 -3.87 7.16 -0.10 1.62 0.15 -1.26 -4.98 113.70 112.43 1ckv s SER 35 Ca 0.29 1.70 0.13 0.00 0.70 0.00 0.00 55.95 58.77 1ckv s SER 35 Cb -0.16 -2.53 0.31 0.00 -1.71 0.00 0.00 66.02 61.93 1ckv s SER 35 CO 0.64 -0.13 1.22 0.47 1.20 0.00 0.00 173.24 176.64 1ckv n ASP 36 N 0.23 2.86 -4.34 5.45 9.92 -1.26 -4.38 116.55 125.04 1ckv n ASP 36 Ca 0.03 -2.66 -0.30 0.00 -0.53 0.00 0.00 54.79 51.33 1ckv n ASP 36 Cb 0.51 -0.35 -0.15 0.00 -0.64 0.00 0.00 41.12 40.50 1ckv n ASP 36 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1ckv s THR 37 N -2.16 2.10 -0.45 -3.53 2.01 -1.26 -3.50 115.64 108.85 1ckv s THR 37 Ca 0.27 -1.38 -0.14 0.00 0.31 0.00 0.00 61.69 60.75 1ckv s THR 37 Cb 0.22 -1.80 0.06 0.00 0.01 0.00 0.00 72.50 70.99 1ckv s THR 37 CO 0.07 0.34 0.35 -0.69 -0.69 0.00 0.00 174.62 174.00 1ckv s VAL 38 N -0.81 5.02 0.13 3.82 1.01 -0.32 -4.74 120.40 124.51 1ckv s VAL 38 Ca 0.11 -1.06 0.10 0.00 0.00 0.00 0.00 61.98 61.14 1ckv s VAL 38 Cb -0.10 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1ckv s VAL 38 CO 0.02 -0.51 -0.25 -0.69 0.00 0.00 0.00 175.10 173.67 1ckv s VAL 39 N 1.60 2.11 -0.28 2.92 1.01 -1.01 -1.08 120.40 125.67 1ckv s VAL 39 Ca 0.04 -1.72 -0.17 0.00 0.00 0.00 0.00 61.98 60.13 1ckv s VAL 39 Cb -0.23 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.38 1ckv s VAL 39 CO 0.06 0.03 0.84 -1.48 0.00 0.00 0.00 175.10 174.56 1ckv s LEU 40 N -2.06 -0.71 -0.15 3.92 2.34 -1.03 0.14 118.68 121.13 1ckv s LEU 40 Ca 0.12 1.15 -0.01 0.00 0.06 0.00 0.00 54.13 55.45 1ckv s LEU 40 Cb -0.10 2.06 -0.02 0.00 -0.56 0.00 0.00 46.19 47.58 1ckv s LEU 40 CO 0.06 -0.18 -0.10 0.68 -1.06 0.00 0.00 176.35 175.75 1ckv s VAL 41 N 1.37 3.29 0.07 1.48 -7.23 0.51 -2.85 120.40 117.04 1ckv s VAL 41 Ca -0.08 -0.57 0.06 0.00 -1.81 0.00 0.00 61.98 59.58 1ckv s VAL 41 Cb -0.04 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1ckv s VAL 41 CO -0.16 0.51 -0.17 -0.22 -0.31 0.00 0.00 175.10 174.75 1ckv s LEU 42 N 0.47 2.25 0.68 1.32 0.20 -1.25 -2.63 118.68 119.72 1ckv s LEU 42 Ca -0.07 -0.59 -0.17 0.00 0.69 0.00 0.00 54.13 53.99 1ckv s LEU 42 Cb -0.15 -0.70 -0.08 0.00 -0.43 0.00 0.00 46.19 44.83 1ckv s LEU 42 CO 0.04 0.02 0.27 0.29 -0.29 0.00 0.00 176.35 176.68 1ckv n LYS 43 N 1.43 0.24 -0.53 1.98 5.02 -1.26 -3.31 118.16 121.74 1ckv n LYS 43 Ca -0.19 0.11 -0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1ckv n LYS 43 Cb 0.54 -1.57 0.19 0.00 -0.02 0.00 0.00 35.03 34.17 1ckv n LYS 43 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1ckv n LYS 44 N 0.11 2.77 -1.27 1.97 2.85 -1.26 -4.09 118.16 119.24 1ckv n LYS 44 Ca 0.09 -1.68 -0.29 0.00 -1.05 0.00 0.00 58.31 55.38 1ckv n LYS 44 Cb 0.50 -1.85 0.18 0.00 -0.65 0.00 0.00 35.03 33.21 1ckv n LYS 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ckv s SER 45 N -0.37 2.51 0.32 -5.58 0.15 -1.26 -4.55 113.70 104.91 1ckv s SER 45 Ca 0.30 0.98 0.10 0.00 0.70 0.00 0.00 55.95 58.03 1ckv s SER 45 Cb 0.23 -1.53 0.55 0.00 -1.71 0.00 0.00 66.02 63.57 1ckv s SER 45 CO 0.08 -3.18 1.17 0.47 1.20 0.00 0.00 173.24 172.98 1ckv n ASP 46 N -4.18 0.26 0.00 5.45 8.00 -1.26 -1.08 116.55 123.75 1ckv n ASP 46 Ca 0.07 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1ckv n ASP 46 Cb 0.58 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1ckv n ASP 46 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1ckv n GLU 47 N -1.97 0.00 -0.23 -1.24 2.13 -1.26 -2.49 120.64 115.58 1ckv n GLU 47 Ca -0.01 0.16 -0.01 0.00 0.66 0.00 0.00 57.16 57.96 1ckv n GLU 47 Cb 0.41 -1.06 0.11 0.00 0.27 0.00 0.00 31.44 31.16 1ckv n GLU 47 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 1ckv h ILE 48 N 0.00 0.92 -0.98 6.31 1.08 -1.50 0.26 117.51 123.59 1ckv h ILE 48 Ca 0.00 -0.21 0.10 0.00 -0.39 0.00 0.00 64.86 64.36 1ckv h ILE 48 Cb 0.00 0.24 -0.13 0.00 -3.07 0.00 0.00 36.82 33.86 1ckv h ILE 48 CO 0.00 0.11 -0.53 0.59 -0.69 0.00 0.00 178.15 177.63 1ckv n ASN 49 N -4.83 -0.95 -0.07 1.72 3.02 -0.24 0.10 115.26 114.02 1ckv n ASN 49 Ca 0.09 1.74 -0.07 0.00 -0.03 0.00 0.00 54.58 56.30 1ckv n ASN 49 Cb 0.21 -0.27 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1ckv n ASN 49 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1ckv h THR 50 N 0.00 0.50 -0.63 3.41 2.02 -1.18 -3.04 112.91 113.99 1ckv h THR 50 Ca 0.20 -1.45 0.12 0.00 0.77 0.00 0.00 66.41 66.05 1ckv h THR 50 Cb 0.45 1.03 -0.12 0.00 -1.74 0.00 0.00 68.15 67.76 1ckv h THR 50 CO -0.94 0.17 -0.18 0.15 0.37 0.00 0.00 175.52 175.10 1ckv h PHE 51 N -1.00 -0.40 -0.20 3.16 3.57 -0.40 0.19 116.94 121.85 1ckv h PHE 51 Ca -0.05 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1ckv h PHE 51 Cb 0.53 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1ckv h PHE 51 CO 0.01 -0.29 0.11 0.97 -2.23 0.00 0.00 178.31 176.89 1ckv h ILE 52 N -0.02 1.02 -0.35 1.41 6.09 0.56 0.34 117.51 126.57 1ckv h ILE 52 Ca 0.30 -0.08 0.08 0.00 -1.37 0.00 0.00 64.86 63.78 1ckv h ILE 52 Cb 0.48 0.76 -0.08 0.00 0.47 0.00 0.00 36.82 38.44 1ckv h ILE 52 CO -0.66 0.04 -0.22 1.05 -3.07 0.00 0.00 178.15 175.30 1ckv h GLU 53 N 0.24 -0.16 0.00 2.19 4.11 -0.75 -2.06 114.58 118.14 1ckv h GLU 53 Ca 0.08 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1ckv h GLU 53 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ckv h GLU 53 CO -0.04 -0.11 0.00 0.39 0.07 0.00 0.00 179.01 179.32 1ckv n GLU 54 N -5.38 0.00 -0.07 1.06 -0.58 0.41 -2.63 120.64 113.46 1ckv n GLU 54 Ca 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.74 1ckv n GLU 54 Cb 0.29 -0.71 -0.01 0.00 -0.57 0.00 0.00 31.44 30.44 1ckv n GLU 54 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1ckv n ILE 55 N -0.44 -0.10 0.06 -3.67 0.00 0.12 0.12 119.36 115.44 1ckv n ILE 55 Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 62.75 63.12 1ckv n ILE 55 Cb 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 39.64 39.13 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 -0.15 -1.41 9.51 4.07 -1.53 -2.98 115.31 122.81 1ckv h LEU 56 Ca 0.04 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1ckv h LEU 56 Cb 0.08 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1ckv h LEU 56 CO -0.16 0.02 0.02 -0.07 -1.08 0.00 0.00 178.44 177.17 1ckv h LEU 57 N -0.43 0.37 0.22 1.67 -0.00 -1.18 1.10 115.31 117.08 1ckv h LEU 57 Ca -0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1ckv h LEU 57 Cb 0.13 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 1ckv h LEU 57 CO 0.03 0.42 -0.11 0.71 -0.00 0.00 0.00 178.44 179.49 1ckv h THR 58 N 0.40 0.00 0.13 0.22 1.35 0.79 -2.83 112.91 112.96 1ckv h THR 58 Ca 0.09 -0.01 -0.29 0.00 -0.55 0.00 0.00 66.41 65.65 1ckv h THR 58 Cb 0.24 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.66 1ckv h THR 58 CO 0.00 0.00 -1.48 -0.78 -0.25 0.00 0.00 175.52 173.01 1ckv h ASP 59 N -0.31 0.44 0.78 5.36 3.58 -1.52 -2.91 116.42 121.84 1ckv h ASP 59 Ca -0.03 -0.88 -0.04 0.00 0.42 0.00 0.00 57.03 56.50 1ckv h ASP 59 Cb 0.23 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1ckv h ASP 59 CO 0.05 1.66 -0.21 1.88 -2.88 0.00 0.00 179.24 179.73 1ckv h TYR 60 N -0.20 0.00 0.00 0.28 -1.99 0.12 -0.87 116.97 114.30 1ckv h TYR 60 Ca -0.31 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.15 1ckv h TYR 60 Cb 1.84 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 40.53 1ckv h TYR 60 CO 0.12 0.21 -1.51 1.17 -0.00 0.00 0.00 178.16 178.15 1ckv n LYS 61 N -3.46 0.56 -0.30 4.88 3.00 -0.95 -2.77 118.16 119.12 1ckv n LYS 61 Ca -0.00 0.49 -0.04 0.00 -0.00 0.00 0.00 58.31 58.75 1ckv n LYS 61 Cb 0.39 -1.67 0.08 0.00 0.00 0.00 0.00 35.03 33.82 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 -1.00 1.12 0.00 1.64 3.64 -1.50 -3.44 116.57 117.03 1ckv h LYS 62 Ca -0.40 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1ckv h LYS 62 Cb 1.32 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1ckv h LYS 62 CO -0.24 0.79 0.00 0.27 -2.27 0.00 0.00 179.45 177.99 1ckv n ASN 63 N -4.45 0.00 0.00 4.20 0.23 -0.35 -5.06 115.26 109.83 1ckv n ASN 63 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 1ckv n ASN 63 Cb 0.05 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 1ckv n ASN 63 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1ckv n VAL 64 N 0.00 0.00 -3.65 3.53 0.31 -1.07 -4.55 118.33 112.90 1ckv n VAL 64 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1ckv n VAL 64 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1ckv n VAL 64 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1ckv s ASN 65 N 0.00 -0.02 0.00 4.52 -0.87 -1.12 -5.01 114.94 112.45 1ckv s ASN 65 Ca 0.00 0.03 0.29 0.00 -1.57 0.00 0.00 52.86 51.61 1ckv s ASN 65 Cb 0.00 0.03 1.31 0.00 -0.02 0.00 0.00 41.25 42.57 1ckv s ASN 65 CO 0.00 -0.01 1.91 -0.81 -2.57 0.00 0.00 177.10 175.62 1ckv n PRO 66 N 1.22 0.76 0.00 -0.60 -0.04 -1.26 -4.41 135.00 130.66 1ckv n PRO 66 Ca -0.07 -0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.16 1ckv n PRO 66 Cb 0.58 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.92 0.00 -3.11 0.52 5.66 -1.26 -4.78 114.28 110.40 1ckv n THR 67 Ca 0.16 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.05 1ckv n THR 67 Cb 0.26 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.01 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 -0.33 -2.87 1.08 3.14 -1.24 -4.81 118.33 113.31 1ckv n VAL 68 Ca 0.00 -0.17 -0.40 0.00 -2.96 0.00 0.00 64.34 60.81 1ckv n VAL 68 Cb 0.00 -0.34 -0.05 0.00 -1.06 0.00 0.00 33.84 32.38 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 -3.39 7.45 0.17 6.55 2.20 0.26 -4.83 114.94 123.34 1ckv s ASN 69 Ca 0.02 1.72 0.00 0.00 -0.94 0.00 0.00 52.86 53.66 1ckv s ASN 69 Cb -0.01 -2.54 -0.04 0.00 -2.00 0.00 0.00 41.25 36.66 1ckv s ASN 69 CO 0.35 0.10 0.34 0.54 -2.94 0.00 0.00 177.10 175.49 1ckv s VAL 70 N -0.68 5.26 -0.07 3.54 0.11 -1.25 -0.09 120.40 127.22 1ckv s VAL 70 Ca 0.40 -0.45 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 1ckv s VAL 70 Cb -0.23 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1ckv s VAL 70 CO 0.28 -0.11 0.13 -1.61 -3.33 0.00 0.00 175.10 170.46 1ckv s GLU 71 N -3.18 -0.01 -0.36 1.54 0.41 0.45 -4.89 118.70 112.66 1ckv s GLU 71 Ca 0.37 0.50 -0.29 0.00 -0.41 0.00 0.00 54.97 55.14 1ckv s GLU 71 Cb -0.11 -0.35 0.02 0.00 -1.78 0.00 0.00 34.13 31.90 1ckv s GLU 71 CO 0.28 -0.31 1.16 0.34 -0.49 0.00 0.00 175.26 176.24 1ckv s ASP 72 N 2.24 6.76 0.00 -0.19 -1.08 -1.26 0.16 116.67 123.30 1ckv s ASP 72 Ca 0.04 0.91 0.00 0.00 -0.52 0.00 0.00 52.55 52.97 1ckv s ASP 72 Cb -0.12 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 1ckv s ASP 72 CO -0.05 -1.06 0.00 -1.14 0.52 0.00 0.00 175.17 173.44 1ckv n ARG 73 N 7.30 3.52 0.34 4.34 3.00 -1.02 -4.91 116.66 129.23 1ckv n ARG 73 Ca 0.13 0.00 0.21 0.00 -0.00 0.00 0.00 57.85 58.19 1ckv n ARG 73 Cb 0.48 0.00 1.14 0.00 0.00 0.00 0.00 32.46 34.08 1ckv n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ckv h ALA 74 N -1.10 1.06 0.00 5.13 0.00 -2.02 -3.42 119.26 118.92 1ckv h ALA 74 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ckv h ALA 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ckv h ALA 74 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.60 1ckv n GLY 75 N -1.11 -0.30 3.84 0.00 0.00 -1.26 -5.15 105.19 101.21 1ckv n GLY 75 Ca -0.03 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.37 0.28 1.61 2.02 -1.26 -4.51 117.35 116.86 1ckv s TYR 76 Ca 0.00 1.43 -0.25 0.00 -0.37 0.00 0.00 57.07 57.89 1ckv s TYR 76 Cb 0.00 -2.83 -0.09 0.00 -0.40 0.00 0.00 41.96 38.64 1ckv s TYR 76 CO 0.00 -0.65 0.87 -1.58 -1.57 0.00 0.00 175.55 172.62 1ckv s TRP 77 N -2.75 3.72 -0.37 2.71 0.52 -1.21 -2.43 118.94 119.14 1ckv s TRP 77 Ca 0.59 1.68 -0.07 0.00 0.02 0.00 0.00 56.10 58.32 1ckv s TRP 77 Cb -0.12 -2.83 0.06 0.00 -1.15 0.00 0.00 33.47 29.43 1ckv s TRP 77 CO 0.39 0.29 0.17 -1.58 0.02 0.00 0.00 176.95 176.24 1ckv s TRP 78 N -1.52 3.32 -0.42 -1.98 0.52 0.43 -3.83 118.94 115.45 1ckv s TRP 78 Ca 0.46 -1.55 -0.16 0.00 0.02 0.00 0.00 56.10 54.87 1ckv s TRP 78 Cb -0.19 -2.62 0.03 0.00 -1.15 0.00 0.00 33.47 29.54 1ckv s TRP 78 CO 0.24 -0.80 0.38 0.96 0.02 0.00 0.00 176.95 177.76 1ckv s ILE 79 N 1.39 5.16 -0.00 2.03 -0.00 -1.13 0.17 121.20 128.81 1ckv s ILE 79 Ca 0.01 -0.53 0.07 0.00 -0.00 0.00 0.00 60.65 60.20 1ckv s ILE 79 Cb -0.21 -4.01 -0.02 0.00 -0.00 0.00 0.00 42.46 38.22 1ckv s ILE 79 CO 0.02 -0.40 -0.23 -0.75 -0.00 0.00 0.00 174.94 173.58 1ckv s LYS 80 N 1.93 2.11 0.06 0.37 2.20 0.88 -2.48 119.74 124.81 1ckv s LYS 80 Ca 0.09 -0.93 -0.05 0.00 -0.36 0.00 0.00 55.97 54.72 1ckv s LYS 80 Cb -0.18 -2.11 -0.02 0.00 -1.51 0.00 0.00 37.83 34.01 1ckv s LYS 80 CO 0.12 0.56 0.08 0.00 -0.36 0.00 0.00 175.35 175.74 1ckv s ALA 81 N -0.72 0.08 -0.27 3.13 0.00 -0.24 -0.58 121.76 123.16 1ckv s ALA 81 Ca 0.11 -0.79 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1ckv s ALA 81 Cb -0.10 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 1ckv s ALA 81 CO 0.01 -0.39 0.21 0.54 0.00 0.00 0.00 175.76 176.13 1ckv s ASN 82 N -2.59 6.06 0.00 0.00 6.03 -1.26 -1.17 114.94 122.01 1ckv s ASN 82 Ca 0.02 0.04 0.00 0.00 -1.03 0.00 0.00 52.86 51.89 1ckv s ASN 82 Cb 0.03 -2.13 0.00 0.00 -3.03 0.00 0.00 41.25 36.13 1ckv s ASN 82 CO -0.08 -0.04 0.00 0.61 -2.03 0.00 0.00 177.10 175.55 1ckv n GLY 83 N 4.89 2.11 3.64 0.45 0.00 -1.23 -4.88 105.19 110.17 1ckv n GLY 83 Ca -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 1ckv n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ckv s LYS 84 N 0.00 0.09 0.10 1.61 0.00 -1.26 -4.11 119.74 116.17 1ckv s LYS 84 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 55.97 55.99 1ckv s LYS 84 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 37.83 37.83 1ckv s LYS 84 CO 0.00 -0.03 -0.09 -1.50 0.00 0.00 0.00 175.35 173.72 1ckv s ILE 85 N -1.65 0.93 -0.09 3.79 2.07 -0.46 -4.97 121.20 120.82 1ckv s ILE 85 Ca 0.10 -1.75 -0.04 0.00 -1.41 0.00 0.00 60.65 57.55 1ckv s ILE 85 Cb -0.01 -1.48 0.05 0.00 0.13 0.00 0.00 42.46 41.15 1ckv s ILE 85 CO -0.05 -0.64 0.20 -1.83 -1.91 0.00 0.00 174.94 170.71 1ckv s GLU 86 N -3.11 0.10 0.10 3.50 -1.05 -1.26 0.10 118.70 117.09 1ckv s GLU 86 Ca 0.08 0.57 -0.09 0.00 -0.15 0.00 0.00 54.97 55.38 1ckv s GLU 86 Cb -0.01 -0.17 -0.06 0.00 -0.44 0.00 0.00 34.13 33.46 1ckv s GLU 86 CO -0.01 -0.25 0.40 0.08 0.95 0.00 0.00 175.26 176.43 1ckv s VAL 87 N 1.93 5.10 0.28 1.83 1.01 0.35 -4.88 120.40 126.02 1ckv s VAL 87 Ca -0.02 0.37 -0.09 0.00 0.00 0.00 0.00 61.98 62.24 1ckv s VAL 87 Cb -0.12 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1ckv s VAL 87 CO -0.07 0.22 0.61 -1.81 0.00 0.00 0.00 175.10 174.05 1ckv s ASP 88 N -1.92 6.58 -0.38 3.32 1.11 -1.26 0.13 116.67 124.24 1ckv s ASP 88 Ca 0.35 0.94 -0.02 0.00 0.18 0.00 0.00 52.55 54.00 1ckv s ASP 88 Cb -0.13 -2.23 0.10 0.00 1.07 0.00 0.00 42.92 41.72 1ckv s ASP 88 CO 0.19 -0.17 0.16 0.00 1.18 0.00 0.00 175.17 176.53 1ckv n ASP 90 N 4.54 0.00 -0.01 0.00 2.03 -1.26 -4.51 116.55 117.34 1ckv n ASP 90 Ca -0.02 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.28 1ckv n ASP 90 Cb 0.42 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.82 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ckv h GLU 91 N 0.00 0.00 0.00 -0.67 5.08 -2.01 -3.37 114.58 113.61 1ckv h GLU 91 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ckv h GLU 91 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ckv h GLU 91 CO 0.00 0.00 0.00 1.51 -1.00 0.00 0.00 179.01 179.52 1ckv n ILE 92 N -2.39 0.00 0.00 3.13 3.06 -1.26 -2.74 119.36 119.16 1ckv n ILE 92 Ca -0.00 0.99 0.00 0.00 -2.50 0.00 0.00 62.75 61.23 1ckv n ILE 92 Cb 0.02 -1.81 0.00 0.00 0.54 0.00 0.00 39.64 38.39 1ckv n ILE 92 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1ckv n SER 93 N -0.66 0.00 -0.15 9.51 3.41 -1.26 0.28 113.62 124.75 1ckv n SER 93 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1ckv n SER 93 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1ckv n SER 93 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ckv h GLU 94 N 0.00 0.28 0.00 4.33 4.39 -1.38 -1.54 114.58 120.66 1ckv h GLU 94 Ca 0.00 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 1ckv h GLU 94 Cb 0.00 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1ckv h GLU 94 CO 0.00 0.19 -1.61 1.25 -1.16 0.00 0.00 179.01 177.68 1ckv h LEU 95 N 0.29 0.00 -2.52 1.33 7.12 0.42 -1.12 115.31 120.84 1ckv h LEU 95 Ca 0.23 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1ckv h LEU 95 Cb 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.40 1ckv h LEU 95 CO -0.27 0.88 0.15 0.25 -0.13 0.00 0.00 178.44 179.33 1ckv h LEU 96 N 0.00 0.00 0.00 2.25 7.12 0.10 -3.41 115.31 121.37 1ckv h LEU 96 Ca -0.25 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.76 1ckv h LEU 96 Cb 1.89 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.02 1ckv h LEU 96 CO 0.07 0.00 0.00 0.61 -0.13 0.00 0.00 178.44 178.99 1ckv n GLY 97 N -1.15 -0.02 0.00 3.75 0.00 -1.02 -4.90 105.19 101.85 1ckv n GLY 97 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.32 -1.73 -1.55 1.61 1.85 -0.42 -5.00 116.66 110.10 1ckv n ARG 98 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 1ckv n ARG 98 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 1ckv n ARG 98 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1ckv n GLN 99 N -0.06 1.03 -0.99 2.89 10.64 -1.26 -2.35 117.38 127.28 1ckv n GLN 99 Ca 0.00 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1ckv n GLN 99 Cb 0.00 -3.33 0.00 0.00 -0.86 0.00 0.00 30.24 26.05 1ckv n GLN 99 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1ckv n PHE 100 N 15.41 -0.45 -4.15 2.61 3.72 -1.26 -4.96 117.46 128.37 1ckv n PHE 100 Ca 0.38 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.66 1ckv n PHE 100 Cb 0.51 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.03 1ckv n PHE 100 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1ckv n ASN 101 N -0.87 2.37 -4.66 4.37 2.85 -1.26 -4.91 115.26 113.15 1ckv n ASN 101 Ca 0.00 -1.86 -0.27 0.00 -0.11 0.00 0.00 54.58 52.33 1ckv n ASN 101 Cb 0.00 0.11 0.11 0.00 1.24 0.00 0.00 39.78 41.24 1ckv n ASN 101 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1ckv s VAL 102 N -1.59 2.13 0.00 3.44 0.11 -1.26 -4.10 120.40 119.14 1ckv s VAL 102 Ca 0.03 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.88 1ckv s VAL 102 Cb -0.00 -2.93 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1ckv s VAL 102 CO 0.02 0.00 0.00 -1.22 -3.33 0.00 0.00 175.10 170.57 1ckv n TYR 103 N -3.22 0.00 0.10 1.54 4.01 -1.26 -4.85 117.16 113.49 1ckv n TYR 103 Ca 0.11 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1ckv n TYR 103 Cb 0.60 -1.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.49 1ckv n TYR 103 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1ckv h ASP 104 N 0.00 0.43 0.25 7.72 2.03 -1.99 -2.43 116.42 122.43 1ckv h ASP 104 Ca 0.00 -0.46 -0.01 0.00 -0.73 0.00 0.00 57.03 55.83 1ckv h ASP 104 Cb 0.49 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.86 1ckv h ASP 104 CO 0.00 1.36 -0.12 0.15 -1.03 0.00 0.00 179.24 179.60 1ckv h PHE 105 N 0.07 -0.31 -0.90 4.15 3.57 -1.89 -3.01 116.94 118.63 1ckv h PHE 105 Ca -0.14 -0.01 -0.49 0.00 3.53 0.00 0.00 57.97 60.86 1ckv h PHE 105 Cb 1.98 0.10 -0.27 0.00 2.79 0.00 0.00 35.95 40.54 1ckv h PHE 105 CO 0.06 -0.07 0.63 -0.11 -2.23 0.00 0.00 178.31 176.59 1ckv n LEU 106 N -5.16 6.56 -0.03 0.59 7.94 -1.25 -4.47 117.00 121.17 1ckv n LEU 106 Ca -0.09 -3.52 -0.15 0.00 -1.11 0.00 0.00 56.01 51.14 1ckv n LEU 106 Cb 0.21 -0.84 -0.09 0.00 0.53 0.00 0.00 43.42 43.24 1ckv n LEU 106 CO 0.33 1.07 0.43 1.62 -1.11 0.00 0.00 177.39 179.73 1ckv h VAL 107 N 0.91 1.39 0.00 1.96 3.04 -1.29 -3.46 116.25 118.80 1ckv h VAL 107 Ca 0.57 -1.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 1ckv h VAL 107 Cb 2.35 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 33.84 1ckv h VAL 107 CO 1.07 0.51 0.00 0.47 -1.01 0.00 0.00 177.57 178.61 1ckv n ASP 108 N -4.35 0.00 -1.76 3.17 9.92 -1.26 -5.08 116.55 117.20 1ckv n ASP 108 Ca -0.08 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.14 1ckv n ASP 108 Cb 0.53 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.99 1ckv n ASP 108 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1ckv n VAL 109 N 0.00 0.00 -0.34 2.53 0.31 -1.26 -5.02 118.33 114.54 1ckv n VAL 109 Ca 0.00 -0.49 0.18 0.00 -0.01 0.00 0.00 64.34 64.02 1ckv n VAL 109 Cb 0.00 0.20 0.39 0.00 -0.91 0.00 0.00 33.84 33.53 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 0.36 0.62 0.00 4.52 0.87 -1.96 -3.45 113.55 114.51 1ckv h SER 110 Ca -0.06 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1ckv h SER 110 Cb 0.25 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ckv h SER 110 CO 0.09 0.05 0.00 -0.24 -0.53 0.00 0.00 176.83 176.20 1ckv n SER 111 N -4.93 0.00 -2.85 6.23 2.88 -1.08 -4.97 113.62 108.90 1ckv n SER 111 Ca 0.27 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1ckv n SER 111 Cb 0.78 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.24 1ckv n SER 111 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ckv n THR 112 N -0.41 -0.18 -1.59 2.46 -2.24 -1.26 -0.36 114.28 110.70 1ckv n THR 112 Ca 0.00 -1.63 -0.42 0.00 -2.27 0.00 0.00 64.05 59.73 1ckv n THR 112 Cb 0.00 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 1ckv n THR 112 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1ckv n ILE 113 N 2.39 0.26 0.00 2.28 2.08 0.37 -4.75 119.36 122.00 1ckv n ILE 113 Ca 0.16 -0.53 0.00 0.00 0.56 0.00 0.00 62.75 62.94 1ckv n ILE 113 Cb 0.57 -2.62 0.00 0.00 -0.75 0.00 0.00 39.64 36.84 1ckv n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ckv n GLY 114 N 5.83 4.72 3.66 7.39 0.00 -1.26 -2.41 105.19 123.12 1ckv n GLY 114 Ca 0.31 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 1ckv n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ckv s ARG 115 N -4.01 4.25 -0.21 1.61 0.52 0.57 -4.72 118.95 116.96 1ckv s ARG 115 Ca 0.00 1.55 -0.07 0.00 -0.52 0.00 0.00 55.73 56.69 1ckv s ARG 115 Cb 0.00 -3.71 -0.04 0.00 0.52 0.00 0.00 34.95 31.72 1ckv s ARG 115 CO 0.00 -0.67 0.07 0.00 0.02 0.00 0.00 175.30 174.72 1ckv s ALA 116 N 3.34 3.31 -0.05 2.13 0.00 -1.26 -0.39 121.76 128.84 1ckv s ALA 116 Ca 0.51 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 1ckv s ALA 116 Cb -0.19 -1.98 0.03 0.00 0.00 0.00 0.00 23.12 20.98 1ckv s ALA 116 CO 0.12 -0.06 -0.01 1.52 0.00 0.00 0.00 175.76 177.33 1ckv s TYR 117 N 0.82 0.55 0.39 0.00 -0.85 -0.81 -5.01 117.35 112.44 1ckv s TYR 117 Ca 0.04 -0.10 -0.03 0.00 -0.52 0.00 0.00 57.07 56.46 1ckv s TYR 117 Cb -0.14 -0.63 -0.04 0.00 0.38 0.00 0.00 41.96 41.53 1ckv s TYR 117 CO 0.02 -0.23 0.64 -0.08 -1.52 0.00 0.00 175.55 174.39 1ckv s THR 118 N 1.43 5.01 -0.30 -3.49 -1.32 -1.26 -2.13 115.64 113.58 1ckv s THR 118 Ca -0.04 -0.11 -0.08 0.00 -1.21 0.00 0.00 61.69 60.25 1ckv s THR 118 Cb -0.13 -3.84 0.15 0.00 -1.51 0.00 0.00 72.50 67.17 1ckv s THR 118 CO -0.03 -0.63 0.68 -1.48 -2.21 0.00 0.00 174.62 170.95 1ckv s LEU 119 N -4.36 -1.15 0.00 9.08 0.05 -1.16 -4.98 118.68 116.16 1ckv s LEU 119 Ca 0.44 1.27 0.00 0.00 0.05 0.00 0.00 54.13 55.89 1ckv s LEU 119 Cb -0.10 2.19 0.00 0.00 -2.05 0.00 0.00 46.19 46.23 1ckv s LEU 119 CO 0.38 -0.22 0.00 0.61 -0.55 0.00 0.00 176.35 176.58 1ckv n GLY 120 N 5.40 1.25 2.69 -3.48 0.00 -1.26 -3.27 105.19 106.52 1ckv n GLY 120 Ca -0.08 0.44 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 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 3.41 0.00 1.61 2.47 -1.26 -5.00 114.94 112.16 1ckv s ASN 121 Ca 0.00 -3.24 0.00 0.00 0.42 0.00 0.00 52.86 50.04 1ckv s ASN 121 Cb 0.00 -1.08 0.00 0.00 -1.45 0.00 0.00 41.25 38.72 1ckv s ASN 121 CO 0.00 -0.17 0.00 0.29 -3.72 0.00 0.00 177.10 173.50 1ckv n LYS 122 N 2.72 0.00 -4.43 0.43 5.02 -1.20 -4.32 118.16 116.37 1ckv n LYS 122 Ca 0.19 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.14 1ckv n LYS 122 Cb 0.39 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.29 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 3.06 -0.11 2.13 -0.71 0.34 -2.96 117.98 119.73 1ckv s PHE 123 Ca 0.00 -0.05 -0.02 0.00 -1.04 0.00 0.00 56.93 55.83 1ckv s PHE 123 Cb 0.00 -1.85 -0.03 0.00 -1.21 0.00 0.00 43.02 39.93 1ckv s PHE 123 CO 0.00 0.22 -0.05 0.95 -1.34 0.00 0.00 175.22 175.00 1ckv s THR 124 N -0.31 3.79 -0.23 -4.49 -4.23 -0.90 0.13 115.64 109.40 1ckv s THR 124 Ca 0.06 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.13 1ckv s THR 124 Cb -0.12 -2.61 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1ckv s THR 124 CO 0.02 0.55 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.94 1ckv s ILE 125 N -0.20 2.90 0.19 2.99 1.09 0.29 -1.93 121.20 126.53 1ckv s ILE 125 Ca 0.03 -0.84 0.03 0.00 -1.10 0.00 0.00 60.65 58.77 1ckv s ILE 125 Cb -0.13 -2.39 -0.03 0.00 -1.06 0.00 0.00 42.46 38.85 1ckv s ILE 125 CO 0.03 0.32 0.33 0.28 -0.10 0.00 0.00 174.94 175.80 1ckv s THR 126 N 1.37 5.29 0.00 2.92 -1.32 0.47 -1.35 115.64 123.01 1ckv s THR 126 Ca 0.03 -0.75 0.02 0.00 -1.21 0.00 0.00 61.69 59.78 1ckv s THR 126 Cb -0.15 -3.78 0.03 0.00 -1.51 0.00 0.00 72.50 67.09 1ckv s THR 126 CO -0.06 -0.19 0.95 -1.20 -2.21 0.00 0.00 174.62 171.91 1ckv n SER 127 N -0.89 0.06 -4.29 8.08 7.64 -1.26 0.21 113.62 123.19 1ckv n SER 127 Ca -0.07 -1.88 -0.28 0.00 1.01 0.00 0.00 58.87 57.65 1ckv n SER 127 Cb 0.55 -0.18 -0.15 0.00 -1.01 0.00 0.00 64.21 63.43 1ckv n SER 127 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ckv s GLU 128 N 0.00 1.62 -0.03 1.43 0.41 -1.26 -4.26 118.70 116.60 1ckv s GLU 128 Ca 0.03 -0.98 -0.03 0.00 -0.41 0.00 0.00 54.97 53.58 1ckv s GLU 128 Cb 0.03 -1.72 0.01 0.00 -1.78 0.00 0.00 34.13 30.67 1ckv s GLU 128 CO -0.01 0.45 0.06 1.28 -0.49 0.00 0.00 175.26 176.54 1ckv n LEU 129 N 1.94 -5.62 -0.10 1.80 7.99 -1.26 -4.98 117.00 116.78 1ckv n LEU 129 Ca -0.17 2.17 0.04 0.00 -0.01 0.00 0.00 56.01 58.04 1ckv n LEU 129 Cb 0.53 -2.82 0.05 0.00 -0.11 0.00 0.00 43.42 41.07 1ckv n LEU 129 CO 0.23 -2.62 0.46 0.80 -1.51 0.00 0.00 177.39 174.75 1ckv n MET 130 N 1.44 1.51 -0.01 3.23 0.00 -1.26 -4.85 117.12 117.18 1ckv n MET 130 Ca -0.10 -1.69 -0.00 0.00 -0.00 0.00 0.00 57.70 55.90 1ckv n MET 130 Cb 0.15 -1.05 -0.00 0.00 0.00 0.00 0.00 33.22 32.33 1ckv n MET 130 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1ckv h GLY 131 N 0.00 0.00 -5.11 -5.12 0.00 -2.04 -3.51 103.07 87.29 1ckv h GLY 131 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1ckv h GLY 131 CO 0.00 0.00 -1.46 -0.10 0.00 0.00 0.00 176.54 174.98 1ckv n LEU 132 N -2.59 -6.02 -1.61 3.11 -0.00 -1.26 -4.95 117.00 103.69 1ckv n LEU 132 Ca -0.01 2.23 -0.15 0.00 -0.00 0.00 0.00 56.01 58.08 1ckv n LEU 132 Cb 0.02 -3.14 0.09 0.00 -0.00 0.00 0.00 43.42 40.39 1ckv n LEU 132 CO 0.01 -3.97 0.33 -0.90 -0.00 0.00 0.00 177.39 172.87 1ckv n ASP 133 N 1.81 4.06 0.08 1.96 5.75 -1.26 -4.78 116.55 124.17 1ckv n ASP 133 Ca -0.39 -3.80 -0.13 0.00 -0.01 0.00 0.00 54.79 50.47 1ckv n ASP 133 Cb 0.60 -0.45 -0.07 0.00 -1.03 0.00 0.00 41.12 40.17 1ckv n ASP 133 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1ckv h ARG 134 N 1.78 -0.13 -0.27 0.11 9.65 -2.01 -3.15 114.38 120.34 1ckv h ARG 134 Ca 0.28 0.01 -0.17 0.00 -1.10 0.00 0.00 59.98 58.99 1ckv h ARG 134 Cb 1.37 0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 29.86 1ckv h ARG 134 CO 0.58 -0.09 -0.38 1.63 2.80 0.00 0.00 179.97 184.51 1ckv n LYS 135 N -5.16 2.05 0.00 0.20 4.01 -1.26 -5.02 118.16 112.98 1ckv n LYS 135 Ca -0.08 -3.42 0.00 0.00 -0.51 0.00 0.00 58.31 54.30 1ckv n LYS 135 Cb 0.09 -1.82 0.00 0.00 -0.51 0.00 0.00 35.03 32.79 1ckv n LYS 135 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ckv n LEU 136 N -1.05 0.00 0.00 -0.35 4.77 -1.19 -4.91 117.00 114.27 1ckv n LEU 136 Ca 0.29 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1ckv n LEU 136 Cb 0.85 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1ckv n LEU 136 CO 0.13 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.57 1ckv n GLU 137 N 0.00 0.00 -3.76 3.23 1.02 -1.26 -4.73 120.64 115.14 1ckv n GLU 137 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1ckv n GLU 137 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 1ckv n GLU 137 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ckv s ASP 138 N 0.00 -0.14 -0.34 1.62 1.01 -1.26 -5.13 116.67 112.44 1ckv s ASP 138 Ca 0.00 -0.13 -0.02 0.00 0.71 0.00 0.00 52.55 53.11 1ckv s ASP 138 Cb 0.00 0.34 0.19 0.00 1.01 0.00 0.00 42.92 44.46 1ckv s ASP 138 CO 0.00 -0.57 0.85 -0.47 0.21 0.00 0.00 175.17 175.19 1ckv s TYR 139 N -2.24 -1.05 0.13 4.23 6.14 -1.26 -5.01 117.35 118.30 1ckv s TYR 139 Ca -0.07 0.34 -0.32 0.00 0.64 0.00 0.00 57.07 57.67 1ckv s TYR 139 Cb -0.02 0.19 -0.11 0.00 0.42 0.00 0.00 41.96 42.44 1ckv s TYR 139 CO -0.01 -0.67 1.82 -2.39 0.64 0.00 0.00 175.55 174.94 1ckv n HIS 140 N 4.52 2.62 -1.00 4.97 1.44 -1.26 -5.22 115.22 121.28 1ckv n HIS 140 Ca 0.08 -0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 1ckv n HIS 140 Cb 0.59 -2.72 0.00 0.00 0.12 0.00 0.00 29.99 27.98 1ckv n HIS 140 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53