#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ckv n SER 2 N 0.00 0.00 -3.75 7.83 2.88 -1.26 -5.16 113.62 114.16 1ckv n SER 2 Ca 0.00 -0.77 -0.28 0.00 -1.33 0.00 0.00 58.87 56.49 1ckv n SER 2 Cb 0.00 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.72 1ckv n SER 2 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1ckv n VAL 3 N 0.00 0.00 -2.37 2.46 0.24 -1.26 -4.91 118.33 112.50 1ckv n VAL 3 Ca 0.00 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.69 1ckv n VAL 3 Cb 0.00 -0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 31.45 1ckv n VAL 3 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ckv s ASN 4 N -2.61 7.02 -0.61 -1.34 -0.87 -1.26 -4.99 114.94 110.29 1ckv s ASN 4 Ca 0.63 2.08 -0.18 0.00 -1.57 0.00 0.00 52.86 53.82 1ckv s ASN 4 Cb -0.16 -2.58 0.12 0.00 -0.02 0.00 0.00 41.25 38.61 1ckv s ASN 4 CO 0.57 -0.51 0.69 -0.44 -2.57 0.00 0.00 177.10 174.84 1ckv s SER 5 N 1.06 6.24 -0.23 -1.22 0.01 -1.26 -5.00 113.70 113.31 1ckv s SER 5 Ca 0.60 -1.62 -0.02 0.00 1.31 0.00 0.00 55.95 56.22 1ckv s SER 5 Cb -0.31 -2.28 0.07 0.00 0.21 0.00 0.00 66.02 63.71 1ckv s SER 5 CO 0.29 -1.03 0.06 0.21 0.41 0.00 0.00 173.24 173.19 1ckv s ASN 6 N 3.53 3.24 0.34 2.44 2.47 -1.26 -4.74 114.94 120.96 1ckv s ASN 6 Ca 0.11 -1.06 0.05 0.00 0.42 0.00 0.00 52.86 52.38 1ckv s ASN 6 Cb -0.24 -0.63 -0.02 0.00 -1.45 0.00 0.00 41.25 38.91 1ckv s ASN 6 CO 0.04 -0.35 0.34 0.00 -3.72 0.00 0.00 177.10 173.42 1ckv n ALA 7 N 5.03 0.46 -1.99 1.71 0.00 -1.19 -4.95 120.51 119.58 1ckv n ALA 7 Ca -0.07 -1.91 -0.42 0.00 0.00 0.00 0.00 53.44 51.04 1ckv n ALA 7 Cb 0.45 1.55 -0.03 0.00 0.00 0.00 0.00 19.45 21.42 1ckv n ALA 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1ckv s TYR 8 N -3.25 3.12 0.00 0.00 5.04 -1.26 -1.61 117.35 119.39 1ckv s TYR 8 Ca 0.38 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.88 1ckv s TYR 8 Cb 0.01 -3.80 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1ckv s TYR 8 CO 0.27 -2.81 0.00 -0.25 -1.34 0.00 0.00 175.55 171.42 1ckv n ASP 9 N 3.43 0.00 0.00 4.32 9.92 -1.26 -1.52 116.55 131.43 1ckv n ASP 9 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1ckv n ASP 9 Cb 0.40 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1ckv n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ckv n ALA 10 N 0.51 1.08 0.01 2.24 0.00 -1.26 -1.39 120.51 121.69 1ckv n ALA 10 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1ckv n ALA 10 Cb 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 1ckv n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ckv n GLY 11 N -1.39 -0.31 2.76 0.00 0.00 -0.58 -4.78 105.19 100.90 1ckv n GLY 11 Ca 0.00 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 1ckv n GLY 11 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ckv n ILE 12 N -1.73 4.37 -1.47 -0.61 -6.64 -0.49 -3.17 119.36 109.63 1ckv n ILE 12 Ca -0.01 -5.71 0.00 0.00 -1.77 0.00 0.00 62.75 55.26 1ckv n ILE 12 Cb 0.19 -1.90 0.00 0.00 -1.44 0.00 0.00 39.64 36.49 1ckv n ILE 12 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 1ckv n MET 13 N 0.72 0.06 0.00 6.28 0.00 -1.26 -4.70 117.12 118.22 1ckv n MET 13 Ca 0.32 -0.78 0.00 0.00 0.00 0.00 0.00 57.70 57.23 1ckv n MET 13 Cb 0.35 -0.52 0.00 0.00 0.00 0.00 0.00 33.22 33.05 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 -0.03 0.00 0.00 3.03 0.00 -1.26 -3.40 105.19 103.53 1ckv n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.24 0.07 -1.30 0.99 4.32 -1.26 -1.71 117.00 115.87 1ckv n LEU 15 Ca 0.00 0.71 0.12 0.00 -0.02 0.00 0.00 56.01 56.81 1ckv n LEU 15 Cb 0.31 -0.23 0.31 0.00 -1.62 0.00 0.00 43.42 42.18 1ckv n LEU 15 CO 0.00 -0.23 0.76 0.29 -1.22 0.00 0.00 177.39 176.99 1ckv n LYS 16 N -1.19 2.64 -0.02 3.23 4.01 -1.26 -4.13 118.16 121.43 1ckv n LYS 16 Ca 0.00 -2.54 0.01 0.00 -0.51 0.00 0.00 58.31 55.27 1ckv n LYS 16 Cb 0.00 -1.55 -0.08 0.00 -0.51 0.00 0.00 35.03 32.89 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 1.62 -0.46 2.70 0.72 0.00 -1.25 -4.80 105.19 103.72 1ckv n GLY 17 Ca 0.23 -0.20 -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 -2.48 1.79 0.00 1.61 2.47 -0.69 -4.77 119.74 117.67 1ckv s LYS 18 Ca -0.04 -2.77 0.00 0.00 -1.56 0.00 0.00 55.97 51.60 1ckv s LYS 18 Cb 0.05 -2.61 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 1ckv s LYS 18 CO 0.40 -1.31 0.00 -0.40 0.16 0.00 0.00 175.35 174.20 1ckv n ASP 19 N 2.45 4.07 -0.56 1.43 5.75 -1.26 -4.62 116.55 123.81 1ckv n ASP 19 Ca 0.22 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 55.02 1ckv n ASP 19 Cb 0.39 0.15 0.08 0.00 -1.03 0.00 0.00 41.12 40.71 1ckv n ASP 19 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1ckv n PHE 20 N -2.28 0.35 -0.11 2.11 3.01 -1.26 -4.90 117.46 114.38 1ckv n PHE 20 Ca 0.00 -0.14 -0.10 0.00 1.01 0.00 0.00 57.45 58.22 1ckv n PHE 20 Cb 0.47 -0.10 0.10 0.00 -0.01 0.00 0.00 39.48 39.94 1ckv n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ckv n ALA 21 N 0.06 -1.71 -1.22 4.37 0.00 -1.26 -3.65 120.51 117.11 1ckv n ALA 21 Ca 0.06 -0.50 -0.08 0.00 0.00 0.00 0.00 53.44 52.93 1ckv n ALA 21 Cb 0.30 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 -3.36 -5.60 -0.04 0.00 2.03 -1.26 -4.65 116.55 103.67 1ckv n ASP 22 Ca 0.04 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1ckv n ASP 22 Cb 0.19 -3.76 0.00 0.00 -0.72 0.00 0.00 41.12 36.83 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 -0.53 0.00 -0.09 -0.67 6.02 -1.24 -4.89 117.38 115.98 1ckv n GLN 23 Ca -0.08 -0.46 -0.16 0.00 -0.01 0.00 0.00 57.00 56.30 1ckv n GLN 23 Cb 0.53 -0.42 -0.09 0.00 1.02 0.00 0.00 30.24 31.28 1ckv n GLN 23 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1ckv h PHE 24 N 0.00 0.00 -3.81 1.08 0.04 -1.82 -3.45 116.94 108.98 1ckv h PHE 24 Ca 0.00 0.00 -0.66 0.00 2.80 0.00 0.00 57.97 60.11 1ckv h PHE 24 Cb 1.03 0.00 -0.37 0.00 2.20 0.00 0.00 35.95 38.80 1ckv h PHE 24 CO 0.00 1.00 -0.80 -0.06 -0.60 0.00 0.00 178.31 177.86 1ckv s PHE 25 N -2.27 3.10 -0.92 -0.55 0.08 -1.26 -4.96 117.98 111.19 1ckv s PHE 25 Ca -0.23 -2.21 0.25 0.00 0.12 0.00 0.00 56.93 54.86 1ckv s PHE 25 Cb 0.04 -1.86 0.41 0.00 -0.57 0.00 0.00 43.02 41.03 1ckv s PHE 25 CO 0.48 -0.86 1.34 0.00 -0.10 0.00 0.00 175.22 176.09 1ckv n ALA 26 N 4.48 3.53 1.78 5.36 0.00 -1.26 -3.92 120.51 130.48 1ckv n ALA 26 Ca -0.14 -0.36 0.03 0.00 0.00 0.00 0.00 53.44 52.97 1ckv n ALA 26 Cb 0.43 -1.09 0.15 0.00 0.00 0.00 0.00 19.45 18.93 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 -1.61 0.00 0.16 0.00 -0.08 -1.26 -2.93 116.55 110.83 1ckv n ASP 27 Ca 0.05 -1.62 0.11 0.00 -1.51 0.00 0.00 54.79 51.82 1ckv n ASP 27 Cb 0.36 0.00 0.08 0.00 2.34 0.00 0.00 41.12 43.90 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 0.00 0.00 -0.99 -0.67 5.08 -2.00 -3.43 114.58 112.56 1ckv h GLU 28 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1ckv h GLU 28 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 1ckv h GLU 28 CO 0.00 0.02 -0.39 -0.80 -1.00 0.00 0.00 179.01 176.84 1ckv s ASN 29 N -5.81 -1.61 0.20 1.42 0.01 -1.15 -5.16 114.94 102.83 1ckv s ASN 29 Ca 0.03 0.03 0.07 0.00 -0.71 0.00 0.00 52.86 52.28 1ckv s ASN 29 Cb 0.07 2.02 -0.04 0.00 0.41 0.00 0.00 41.25 43.72 1ckv s ASN 29 CO 0.73 -0.28 0.11 -1.10 -1.51 0.00 0.00 177.10 175.06 1ckv s GLN 30 N 2.67 2.75 -0.05 -0.60 -0.21 -1.26 -5.02 119.66 117.93 1ckv s GLN 30 Ca 0.11 -1.03 -0.02 0.00 0.02 0.00 0.00 55.36 54.44 1ckv s GLN 30 Cb -0.09 -2.52 -0.04 0.00 1.00 0.00 0.00 33.01 31.37 1ckv s GLN 30 CO -0.23 0.44 0.07 0.54 -2.12 0.00 0.00 175.29 174.00 1ckv s VAL 31 N -1.91 4.78 -0.11 1.09 0.11 -1.26 -5.11 120.40 117.99 1ckv s VAL 31 Ca 0.31 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 1ckv s VAL 31 Cb -0.09 -3.11 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 1ckv s VAL 31 CO 0.22 0.48 -0.06 0.54 -3.33 0.00 0.00 175.10 172.96 1ckv s VAL 32 N -1.07 3.76 -0.28 2.04 0.11 -1.26 -5.09 120.40 118.61 1ckv s VAL 32 Ca 0.18 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1ckv s VAL 32 Cb -0.12 -2.59 0.01 0.00 -1.53 0.00 0.00 36.38 32.15 1ckv s VAL 32 CO 0.08 0.54 0.04 -1.00 -3.33 0.00 0.00 175.10 171.43 1ckv s HIS 33 N -0.17 3.12 -0.34 1.54 3.76 -1.26 -4.79 115.29 117.15 1ckv s HIS 33 Ca 0.03 -1.14 -0.08 0.00 -0.15 0.00 0.00 55.06 53.71 1ckv s HIS 33 Cb -0.13 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.38 1ckv s HIS 33 CO 0.03 -0.62 0.20 0.39 -0.85 0.00 0.00 174.74 173.89 1ckv n GLU 34 N 4.81 -0.73 -4.07 1.40 1.02 -1.26 -4.89 120.64 116.92 1ckv n GLU 34 Ca -0.15 -0.23 -0.32 0.00 -0.02 0.00 0.00 57.16 56.44 1ckv n GLU 34 Cb 0.48 -0.19 -0.15 0.00 -0.02 0.00 0.00 31.44 31.56 1ckv n GLU 34 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1ckv s SER 35 N -4.06 4.13 0.11 1.62 0.01 -1.26 -4.96 113.70 109.29 1ckv s SER 35 Ca 0.12 -1.23 0.22 0.00 1.31 0.00 0.00 55.95 56.37 1ckv s SER 35 Cb -0.07 -1.50 -0.08 0.00 0.21 0.00 0.00 66.02 64.58 1ckv s SER 35 CO 0.29 -0.16 0.88 0.47 0.41 0.00 0.00 173.24 175.13 1ckv n ASP 36 N 4.49 0.57 -4.77 2.44 9.92 -1.26 -4.87 116.55 123.06 1ckv n ASP 36 Ca -0.15 0.15 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 1ckv n ASP 36 Cb 0.44 0.94 -0.03 0.00 -0.64 0.00 0.00 41.12 41.83 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 -3.38 3.37 -0.60 -3.53 2.01 -1.26 -4.29 115.64 107.96 1ckv s THR 37 Ca -0.02 1.08 -0.22 0.00 0.31 0.00 0.00 61.69 62.84 1ckv s THR 37 Cb 0.12 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 69.12 1ckv s THR 37 CO 0.83 0.03 0.88 -0.69 -0.69 0.00 0.00 174.62 174.98 1ckv s VAL 38 N -1.54 4.48 0.17 3.82 1.01 0.16 -4.89 120.40 123.61 1ckv s VAL 38 Ca 0.59 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 62.38 1ckv s VAL 38 Cb -0.27 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 1ckv s VAL 38 CO 0.33 -1.23 -0.15 -0.69 0.00 0.00 0.00 175.10 173.35 1ckv s VAL 39 N 3.66 2.90 -0.29 2.92 1.01 -0.94 -0.64 120.40 129.01 1ckv s VAL 39 Ca 0.22 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.32 1ckv s VAL 39 Cb -0.17 -2.40 0.17 0.00 0.00 0.00 0.00 36.38 33.98 1ckv s VAL 39 CO 0.12 -0.06 1.09 -1.48 0.00 0.00 0.00 175.10 174.77 1ckv s LEU 40 N -2.63 -0.34 -0.10 3.92 2.34 -1.03 0.13 118.68 120.98 1ckv s LEU 40 Ca 0.22 0.53 0.00 0.00 0.06 0.00 0.00 54.13 54.94 1ckv s LEU 40 Cb -0.09 1.48 -0.02 0.00 -0.56 0.00 0.00 46.19 46.99 1ckv s LEU 40 CO 0.13 -0.08 -0.10 0.68 -1.06 0.00 0.00 176.35 175.91 1ckv s VAL 41 N 1.41 3.34 -0.01 1.48 -7.23 -0.33 -2.74 120.40 116.32 1ckv s VAL 41 Ca -0.07 -0.59 0.05 0.00 -1.81 0.00 0.00 61.98 59.56 1ckv s VAL 41 Cb -0.03 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 1ckv s VAL 41 CO -0.14 0.55 -0.18 -0.22 -0.31 0.00 0.00 175.10 174.81 1ckv s LEU 42 N -0.18 2.03 0.08 1.32 2.96 -1.24 -2.66 118.68 121.00 1ckv s LEU 42 Ca 0.01 -0.32 -0.36 0.00 -0.22 0.00 0.00 54.13 53.24 1ckv s LEU 42 Cb -0.13 -0.90 -0.16 0.00 0.50 0.00 0.00 46.19 45.50 1ckv s LEU 42 CO 0.03 0.22 1.45 1.17 -1.32 0.00 0.00 176.35 177.89 1ckv n LYS 43 N 2.65 1.47 -2.35 1.98 3.00 -1.26 -3.42 118.16 120.23 1ckv n LYS 43 Ca -0.15 0.53 -0.35 0.00 -0.00 0.00 0.00 58.31 58.34 1ckv n LYS 43 Cb 0.54 -2.22 -0.04 0.00 0.00 0.00 0.00 35.03 33.31 1ckv n LYS 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ckv s LYS 44 N 0.88 3.15 0.36 1.64 2.36 -1.26 -4.47 119.74 122.40 1ckv s LYS 44 Ca 0.84 -0.76 0.04 0.00 -2.55 0.00 0.00 55.97 53.54 1ckv s LYS 44 Cb -0.87 -5.22 -0.06 0.00 -1.05 0.00 0.00 37.83 30.63 1ckv s LYS 44 CO 0.45 -2.69 0.05 0.45 1.55 0.00 0.00 175.35 175.16 1ckv s SER 45 N 6.24 2.78 0.30 1.43 0.15 -1.26 -4.94 113.70 118.40 1ckv s SER 45 Ca 0.56 -1.41 0.11 0.00 0.70 0.00 0.00 55.95 55.91 1ckv s SER 45 Cb -0.03 -0.07 0.61 0.00 -1.71 0.00 0.00 66.02 64.82 1ckv s SER 45 CO -0.06 -0.61 1.22 0.47 1.20 0.00 0.00 173.24 175.46 1ckv n ASP 46 N -0.82 0.29 0.16 5.45 8.00 -1.26 -1.07 116.55 127.30 1ckv n ASP 46 Ca -0.04 0.51 -0.07 0.00 0.71 0.00 0.00 54.79 55.90 1ckv n ASP 46 Cb 0.67 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1ckv n ASP 46 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ckv h GLU 47 N 0.00 -0.46 -0.48 -1.24 4.81 -1.93 -3.15 114.58 112.13 1ckv h GLU 47 Ca 0.00 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1ckv h GLU 47 Cb 0.64 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1ckv h GLU 47 CO 0.00 -0.30 0.11 0.82 -0.73 0.00 0.00 179.01 178.91 1ckv h ILE 48 N -0.97 1.24 -1.00 2.32 5.03 -1.34 -1.90 117.51 120.89 1ckv h ILE 48 Ca -0.05 -0.85 0.11 0.00 -0.12 0.00 0.00 64.86 63.96 1ckv h ILE 48 Cb 0.36 0.86 -0.13 0.00 -3.03 0.00 0.00 36.82 34.88 1ckv h ILE 48 CO 0.08 0.30 -0.53 0.78 -0.68 0.00 0.00 178.15 178.10 1ckv h ASN 49 N 0.66 -1.94 0.08 1.72 -0.26 -1.22 0.54 115.58 115.16 1ckv h ASN 49 Ca 0.15 0.32 -0.00 0.00 -0.56 0.00 0.00 56.30 56.21 1ckv h ASN 49 Cb 0.33 0.90 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 1ckv h ASN 49 CO 0.00 -0.25 -0.04 0.74 -1.06 0.00 0.00 177.43 176.83 1ckv h THR 50 N -0.00 0.00 -0.89 2.81 2.02 -1.53 -3.02 112.91 112.30 1ckv h THR 50 Ca 0.22 -0.73 0.24 0.00 0.77 0.00 0.00 66.41 66.91 1ckv h THR 50 Cb 0.47 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.73 1ckv h THR 50 CO -0.95 0.00 0.24 0.15 0.37 0.00 0.00 175.52 175.32 1ckv h PHE 51 N -0.83 0.35 -0.22 3.16 3.57 -1.27 0.36 116.94 122.05 1ckv h PHE 51 Ca -0.01 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ckv h PHE 51 Cb 0.08 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1ckv h PHE 51 CO 0.00 -0.23 0.11 0.97 -2.23 0.00 0.00 178.31 176.93 1ckv h ILE 52 N 0.19 1.13 -0.90 1.41 6.09 -0.05 0.76 117.51 126.15 1ckv h ILE 52 Ca 0.57 -0.37 0.15 0.00 -1.37 0.00 0.00 64.86 63.83 1ckv h ILE 52 Cb 1.16 0.97 -0.07 0.00 0.47 0.00 0.00 36.82 39.35 1ckv h ILE 52 CO -0.67 0.13 0.58 1.05 -3.07 0.00 0.00 178.15 176.16 1ckv h GLU 53 N 0.23 0.68 0.00 2.19 -0.00 -0.24 -1.25 114.58 116.19 1ckv h GLU 53 Ca 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 59.36 59.40 1ckv h GLU 53 Cb 0.11 -0.15 0.00 0.00 -0.00 0.00 0.00 28.75 28.70 1ckv h GLU 53 CO -0.01 0.45 0.00 0.39 -0.00 0.00 0.00 179.01 179.84 1ckv n GLU 54 N -4.57 0.00 -0.22 1.06 4.71 -0.14 -2.69 120.64 118.79 1ckv n GLU 54 Ca 0.18 0.18 -0.01 0.00 -0.01 0.00 0.00 57.16 57.50 1ckv n GLU 54 Cb 0.48 -0.63 0.02 0.00 -1.01 0.00 0.00 31.44 30.30 1ckv n GLU 54 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1ckv n ILE 55 N -1.31 -0.30 0.05 -3.67 0.00 0.26 0.21 119.36 114.60 1ckv n ILE 55 Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 62.75 63.86 1ckv n ILE 55 Cb 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 39.64 37.78 1ckv n ILE 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1ckv h LEU 56 N 0.00 0.80 0.06 9.51 5.85 -1.39 -2.82 115.31 127.33 1ckv h LEU 56 Ca 0.20 -0.79 -0.14 0.00 0.84 0.00 0.00 57.88 57.99 1ckv h LEU 56 Cb 0.34 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1ckv h LEU 56 CO -0.56 1.50 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.29 1ckv h LEU 57 N 0.19 0.21 0.03 2.25 -0.00 -0.73 -1.13 115.31 116.14 1ckv h LEU 57 Ca -0.14 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.84 1ckv h LEU 57 Cb 1.70 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 42.29 1ckv h LEU 57 CO 0.20 1.30 -0.06 0.71 -0.00 0.00 0.00 178.44 180.59 1ckv h THR 58 N -0.68 0.00 0.04 0.22 1.35 0.22 -2.47 112.91 111.60 1ckv h THR 58 Ca -0.15 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.38 1ckv h THR 58 Cb 1.38 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.75 1ckv h THR 58 CO 0.03 0.00 -1.92 0.47 -0.25 0.00 0.00 175.52 173.85 1ckv n ASP 59 N -2.71 1.25 -0.10 5.36 8.00 -1.12 -2.77 116.55 124.45 1ckv n ASP 59 Ca -0.01 0.27 0.15 0.00 0.71 0.00 0.00 54.79 55.91 1ckv n ASP 59 Cb 0.05 -0.23 0.73 0.00 -0.02 0.00 0.00 41.12 41.64 1ckv n ASP 59 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ckv n TYR 60 N -3.17 0.00 -0.03 1.24 4.01 -0.53 -3.18 117.16 115.51 1ckv n TYR 60 Ca -0.25 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.45 1ckv n TYR 60 Cb 1.06 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.93 1ckv n TYR 60 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ckv n LYS 61 N -0.91 0.13 0.08 -0.72 3.00 -0.61 -3.94 118.16 115.18 1ckv n LYS 61 Ca 0.18 0.04 -0.12 0.00 -0.00 0.00 0.00 58.31 58.40 1ckv n LYS 61 Cb 0.23 -1.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.20 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 -0.05 -0.16 -0.03 1.64 3.64 -1.35 -3.44 116.57 116.82 1ckv h LYS 62 Ca -0.12 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.44 1ckv h LYS 62 Cb 1.17 0.04 -0.17 0.00 -0.41 0.00 0.00 32.23 32.85 1ckv h LYS 62 CO -0.04 -0.11 -0.03 0.54 -2.27 0.00 0.00 179.45 177.55 1ckv s ASN 63 N -5.05 -0.04 0.11 4.20 6.03 -1.21 -5.04 114.94 113.93 1ckv s ASN 63 Ca -0.14 -0.02 0.00 0.00 -1.03 0.00 0.00 52.86 51.67 1ckv s ASN 63 Cb 0.07 0.06 0.00 0.00 -3.03 0.00 0.00 41.25 38.34 1ckv s ASN 63 CO 0.66 -0.00 0.00 0.52 -2.03 0.00 0.00 177.10 176.24 1ckv n VAL 64 N 3.49 0.00 0.00 3.54 0.31 -1.19 -4.90 118.33 119.57 1ckv n VAL 64 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1ckv n VAL 64 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 -2.72 0.00 0.19 4.52 3.02 -1.25 -5.02 115.26 113.99 1ckv n ASN 65 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 1ckv n ASN 65 Cb 0.00 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.47 1ckv n ASN 65 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1ckv h PRO 66 N 0.00 0.00 -0.35 3.52 0.11 -1.95 -3.33 132.00 130.00 1ckv h PRO 66 Ca 0.00 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.18 1ckv h PRO 66 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 1ckv h PRO 66 CO 0.00 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 177.65 1ckv h THR 67 N 0.00 0.55 -0.05 -1.15 1.03 -1.93 -3.38 112.91 107.98 1ckv h THR 67 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 66.19 1ckv h THR 67 Cb 0.85 0.55 -0.07 0.00 -1.07 0.00 0.00 68.15 68.41 1ckv h THR 67 CO 0.00 0.00 1.41 0.52 -0.01 0.00 0.00 175.52 177.44 1ckv n VAL 68 N -5.32 0.00 -5.05 0.00 0.31 -1.25 -4.54 118.33 102.47 1ckv n VAL 68 Ca 0.01 -0.47 -0.32 0.00 -0.01 0.00 0.00 64.34 63.55 1ckv n VAL 68 Cb 0.24 -0.38 -0.14 0.00 -0.91 0.00 0.00 33.84 32.64 1ckv n VAL 68 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ckv s ASN 69 N 1.97 3.62 0.13 4.52 2.20 -0.03 -4.96 114.94 122.40 1ckv s ASN 69 Ca 0.94 -0.32 0.03 0.00 -0.94 0.00 0.00 52.86 52.57 1ckv s ASN 69 Cb -0.51 -0.74 -0.04 0.00 -2.00 0.00 0.00 41.25 37.96 1ckv s ASN 69 CO 0.35 0.32 0.20 0.54 -2.94 0.00 0.00 177.10 175.56 1ckv s VAL 70 N -0.57 4.94 -0.06 3.54 0.11 -1.26 -0.45 120.40 126.65 1ckv s VAL 70 Ca 0.08 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.31 1ckv s VAL 70 Cb -0.11 -3.50 0.04 0.00 -1.53 0.00 0.00 36.38 31.28 1ckv s VAL 70 CO 0.01 -0.04 0.12 -1.83 -3.33 0.00 0.00 175.10 170.03 1ckv s GLU 71 N -2.99 0.06 -0.36 1.54 1.03 0.31 -4.92 118.70 113.38 1ckv s GLU 71 Ca 0.33 0.34 -0.28 0.00 0.03 0.00 0.00 54.97 55.39 1ckv s GLU 71 Cb -0.11 -0.20 0.02 0.00 -0.80 0.00 0.00 34.13 33.04 1ckv s GLU 71 CO 0.26 -0.17 1.03 0.34 -1.33 0.00 0.00 175.26 175.38 1ckv s ASP 72 N 1.19 6.80 0.00 0.83 2.15 -1.26 0.12 116.67 126.50 1ckv s ASP 72 Ca -0.09 0.81 0.00 0.00 0.43 0.00 0.00 52.55 53.70 1ckv s ASP 72 Cb -0.12 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1ckv s ASP 72 CO -0.05 -0.92 0.00 -1.14 -0.17 0.00 0.00 175.17 172.89 1ckv n ARG 73 N 6.96 3.50 0.31 4.34 3.00 -0.69 -4.89 116.66 129.18 1ckv n ARG 73 Ca 0.10 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.14 1ckv n ARG 73 Cb 0.48 0.00 1.05 0.00 0.00 0.00 0.00 32.46 33.99 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 -1.50 1.29 0.00 5.13 0.00 -2.01 -3.41 119.26 118.75 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 -1.21 0.06 3.92 0.00 0.00 -1.26 -5.15 105.19 101.54 1ckv n GLY 75 Ca -0.02 -0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.70 3.54 0.23 1.61 2.02 -1.26 -4.44 117.35 118.35 1ckv s TYR 76 Ca 0.00 0.68 -0.24 0.00 -0.37 0.00 0.00 57.07 57.14 1ckv s TYR 76 Cb 0.00 -2.18 -0.09 0.00 -0.40 0.00 0.00 41.96 39.30 1ckv s TYR 76 CO 0.00 -0.14 0.81 -1.58 -1.57 0.00 0.00 175.55 173.06 1ckv s TRP 77 N -2.59 3.77 -0.31 2.71 0.52 -1.22 -1.71 118.94 120.11 1ckv s TRP 77 Ca 0.45 1.60 -0.04 0.00 0.02 0.00 0.00 56.10 58.13 1ckv s TRP 77 Cb -0.10 -2.76 0.04 0.00 -1.15 0.00 0.00 33.47 29.50 1ckv s TRP 77 CO 0.41 0.38 0.04 -1.58 0.02 0.00 0.00 176.95 176.22 1ckv s TRP 78 N -1.40 3.25 -0.30 -1.98 0.52 0.33 -3.63 118.94 115.73 1ckv s TRP 78 Ca 0.42 -1.66 -0.11 0.00 0.02 0.00 0.00 56.10 54.77 1ckv s TRP 78 Cb -0.20 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1ckv s TRP 78 CO 0.24 -0.77 0.20 0.96 0.02 0.00 0.00 176.95 177.60 1ckv s ILE 79 N 1.32 5.24 -0.03 2.03 -0.00 -1.11 0.11 121.20 128.76 1ckv s ILE 79 Ca -0.03 0.02 0.04 0.00 -0.00 0.00 0.00 60.65 60.68 1ckv s ILE 79 Cb -0.19 -3.56 -0.01 0.00 -0.00 0.00 0.00 42.46 38.70 1ckv s ILE 79 CO 0.00 0.17 -0.17 -0.54 -0.00 0.00 0.00 174.94 174.41 1ckv s LYS 80 N 1.74 1.61 0.06 0.37 1.02 0.40 -2.46 119.74 122.49 1ckv s LYS 80 Ca 0.07 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.41 1ckv s LYS 80 Cb -0.16 -1.45 -0.02 0.00 -0.52 0.00 0.00 37.83 35.68 1ckv s LYS 80 CO 0.10 0.27 0.09 0.00 -0.92 0.00 0.00 175.35 174.89 1ckv s ALA 81 N -0.09 0.09 -0.11 5.17 0.00 0.18 -0.85 121.76 126.16 1ckv s ALA 81 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1ckv s ALA 81 Cb -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1ckv s ALA 81 CO 0.01 -0.41 -0.05 0.54 0.00 0.00 0.00 175.76 175.85 1ckv s ASN 82 N -2.72 4.79 0.00 0.00 6.03 -1.26 0.39 114.94 122.16 1ckv s ASN 82 Ca 0.03 -0.04 0.00 0.00 -1.03 0.00 0.00 52.86 51.82 1ckv s ASN 82 Cb 0.05 -1.46 0.00 0.00 -3.03 0.00 0.00 41.25 36.80 1ckv s ASN 82 CO -0.09 0.29 0.00 0.61 -2.03 0.00 0.00 177.10 175.88 1ckv n GLY 83 N 2.73 2.07 0.00 0.45 0.00 -1.26 -4.86 105.19 104.32 1ckv n GLY 83 Ca -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.69 1.61 0.00 -1.26 -3.76 118.16 111.06 1ckv n LYS 84 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1ckv n LYS 84 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 34.97 1ckv n LYS 84 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1ckv s ILE 85 N -2.00 0.07 -0.05 0.58 -0.00 -0.58 -5.02 121.20 114.21 1ckv s ILE 85 Ca 0.00 -0.61 -0.02 0.00 -0.00 0.00 0.00 60.65 60.02 1ckv s ILE 85 Cb 0.00 -1.06 0.03 0.00 -0.00 0.00 0.00 42.46 41.44 1ckv s ILE 85 CO 0.00 -0.34 0.09 -1.83 -0.00 0.00 0.00 174.94 172.86 1ckv s GLU 86 N -3.07 -0.01 -0.18 0.37 -1.05 -1.26 0.73 118.70 114.22 1ckv s GLU 86 Ca -0.01 0.35 -0.15 0.00 -0.15 0.00 0.00 54.97 55.00 1ckv s GLU 86 Cb 0.01 -0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.35 1ckv s GLU 86 CO -0.07 -0.24 0.37 0.08 0.95 0.00 0.00 175.26 176.36 1ckv s VAL 87 N 1.60 5.23 0.52 1.83 1.01 0.47 -4.90 120.40 126.17 1ckv s VAL 87 Ca -0.03 0.67 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 1ckv s VAL 87 Cb -0.12 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1ckv s VAL 87 CO -0.04 0.30 1.02 -1.81 0.00 0.00 0.00 175.10 174.57 1ckv s ASP 88 N 0.83 6.30 -0.46 3.32 1.01 -1.26 -1.08 116.67 125.33 1ckv s ASP 88 Ca 0.19 1.79 -0.09 0.00 0.71 0.00 0.00 52.55 55.15 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 -0.81 0.33 0.00 0.21 0.00 0.00 175.17 174.97 1ckv n ASP 90 N 4.88 0.00 0.00 0.00 9.92 -1.26 -4.70 116.55 125.39 1ckv n ASP 90 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1ckv n ASP 90 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1ckv n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ckv n GLU 91 N 0.00 0.00 0.33 -1.24 1.02 -1.26 -2.13 120.64 117.36 1ckv n GLU 91 Ca 0.00 0.39 -0.19 0.00 -0.02 0.00 0.00 57.16 57.34 1ckv n GLU 91 Cb 0.00 -1.06 -0.10 0.00 -0.02 0.00 0.00 31.44 30.26 1ckv n GLU 91 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1ckv h ILE 92 N 0.00 0.03 -1.18 -3.67 2.10 -1.85 -2.11 117.51 110.82 1ckv h ILE 92 Ca 0.00 0.00 0.37 0.00 1.08 0.00 0.00 64.86 66.31 1ckv h ILE 92 Cb 0.00 0.03 -0.13 0.00 -1.09 0.00 0.00 36.82 35.63 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 -1.05 0.35 -0.24 2.19 4.64 -1.88 1.59 113.55 119.14 1ckv h SER 93 Ca -0.07 0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1ckv h SER 93 Cb 0.89 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1ckv h SER 93 CO -0.02 -0.13 0.06 -0.33 -0.87 0.00 0.00 176.83 175.54 1ckv h GLU 94 N 0.20 0.15 0.00 4.77 4.39 -0.84 1.08 114.58 124.32 1ckv h GLU 94 Ca 0.75 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.45 1ckv h GLU 94 Cb 2.14 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1ckv h GLU 94 CO -0.45 0.10 -1.03 -0.11 -1.16 0.00 0.00 179.01 176.36 1ckv n LEU 95 N -5.07 0.77 -0.76 1.33 -0.00 0.84 -3.01 117.00 111.10 1ckv n LEU 95 Ca -0.02 0.28 0.07 0.00 -0.00 0.00 0.00 56.01 56.34 1ckv n LEU 95 Cb 0.10 -0.07 0.19 0.00 -0.00 0.00 0.00 43.42 43.64 1ckv n LEU 95 CO 0.28 -0.15 0.66 -0.11 -0.00 0.00 0.00 177.39 178.07 1ckv n LEU 96 N -2.55 2.20 0.00 -1.96 -0.00 0.51 -4.86 117.00 110.34 1ckv n LEU 96 Ca 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 56.01 54.92 1ckv n LEU 96 Cb 0.53 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 1ckv n LEU 96 CO 0.40 0.54 0.00 0.61 -0.00 0.00 0.00 177.39 178.94 1ckv n GLY 97 N 1.16 0.75 2.79 -3.96 0.00 0.37 -4.88 105.19 101.42 1ckv n GLY 97 Ca 0.14 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.91 1.61 -4.01 0.35 -4.32 116.66 107.38 1ckv n ARG 98 Ca 0.00 0.00 -0.02 0.00 -1.04 0.00 0.00 57.85 56.79 1ckv n ARG 98 Cb 0.00 -0.93 -0.02 0.00 -3.04 0.00 0.00 32.46 28.47 1ckv n ARG 98 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1ckv n GLN 99 N 2.33 -2.47 0.00 2.89 10.64 -1.26 -4.97 117.38 124.54 1ckv n GLN 99 Ca -0.02 2.05 0.00 0.00 -1.83 0.00 0.00 57.00 57.20 1ckv n GLN 99 Cb 0.58 -2.54 0.00 0.00 -0.86 0.00 0.00 30.24 27.42 1ckv n GLN 99 CO 0.00 0.00 0.00 1.97 -1.83 0.00 0.00 177.06 177.20 1ckv n PHE 100 N 2.06 0.00 -4.41 2.61 -1.74 -1.26 -5.15 117.46 109.56 1ckv n PHE 100 Ca -0.15 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.45 1ckv n PHE 100 Cb 0.27 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.11 1ckv n PHE 100 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1ckv s ASN 101 N 2.00 2.60 1.07 5.98 0.02 -1.26 -5.12 114.94 120.22 1ckv s ASN 101 Ca 0.00 -0.47 -0.16 0.00 -1.02 0.00 0.00 52.86 51.21 1ckv s ASN 101 Cb 0.00 -1.17 0.12 0.00 0.02 0.00 0.00 41.25 40.22 1ckv s ASN 101 CO 0.00 0.01 0.33 0.55 0.02 0.00 0.00 177.10 178.02 1ckv n VAL 102 N 4.28 0.00 -0.76 1.60 3.14 -1.26 -2.98 118.33 122.36 1ckv n VAL 102 Ca -0.19 -0.27 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1ckv n VAL 102 Cb 0.51 -0.69 0.00 0.00 -1.06 0.00 0.00 33.84 32.60 1ckv n VAL 102 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ckv n TYR 103 N -4.27 0.00 0.23 1.45 9.36 -1.26 -4.86 117.16 117.81 1ckv n TYR 103 Ca 0.03 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.33 1ckv n TYR 103 Cb 0.58 0.00 0.60 0.00 -0.63 0.00 0.00 39.34 39.89 1ckv n TYR 103 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1ckv h ASP 104 N 0.00 0.05 0.85 2.98 1.82 -1.96 0.84 116.42 120.99 1ckv h ASP 104 Ca 0.00 -0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.46 1ckv h ASP 104 Cb 0.00 -0.01 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 1ckv h ASP 104 CO 0.00 0.06 -0.85 0.15 -1.61 0.00 0.00 179.24 176.99 1ckv h PHE 105 N 0.06 0.00 -0.35 0.28 3.04 -1.89 -3.22 116.94 114.87 1ckv h PHE 105 Ca 0.02 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 1ckv h PHE 105 Cb 0.03 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1ckv h PHE 105 CO 0.00 0.85 0.02 -0.11 -2.02 0.00 0.00 178.31 177.05 1ckv n LEU 106 N -3.53 4.35 0.03 0.59 -0.00 -0.12 -4.52 117.00 113.80 1ckv n LEU 106 Ca -0.00 -3.11 -0.18 0.00 -0.00 0.00 0.00 56.01 52.71 1ckv n LEU 106 Cb 0.81 -0.59 -0.14 0.00 -0.00 0.00 0.00 43.42 43.50 1ckv n LEU 106 CO 0.45 0.74 -0.56 1.62 -0.00 0.00 0.00 177.39 179.65 1ckv h VAL 107 N 2.05 0.89 0.00 1.96 3.04 0.60 -3.47 116.25 121.31 1ckv h VAL 107 Ca 0.05 -2.58 0.00 0.00 -1.01 0.00 0.00 66.70 63.16 1ckv h VAL 107 Cb 1.62 2.63 0.00 0.00 -2.01 0.00 0.00 31.29 33.53 1ckv h VAL 107 CO 0.32 0.80 0.00 -0.90 -1.01 0.00 0.00 177.57 176.79 1ckv n ASP 108 N -3.43 0.00 -3.27 3.17 5.68 -1.26 -5.09 116.55 112.35 1ckv n ASP 108 Ca -0.23 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 53.85 1ckv n ASP 108 Cb 1.05 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.96 1ckv n ASP 108 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1ckv s VAL 109 N 0.00 -0.09 0.00 2.12 -7.23 -1.26 -5.00 120.40 108.95 1ckv s VAL 109 Ca 0.00 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1ckv s VAL 109 Cb 0.00 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 36.07 1ckv s VAL 109 CO 0.00 -0.84 0.00 -0.24 -0.31 0.00 0.00 175.10 173.71 1ckv n SER 110 N 3.29 0.00 0.00 4.85 2.88 -1.26 -4.22 113.62 119.16 1ckv n SER 110 Ca 0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1ckv n SER 110 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ckv n SER 110 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ckv n SER 111 N 1.35 0.00 -2.91 -3.46 2.88 -1.09 -4.99 113.62 105.40 1ckv n SER 111 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 1ckv n SER 111 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ckv n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ckv s THR 112 N -2.00 -0.99 -0.30 2.46 -4.23 -1.26 -1.19 115.64 108.13 1ckv s THR 112 Ca 0.00 -0.66 -0.28 0.00 -1.18 0.00 0.00 61.69 59.57 1ckv s THR 112 Cb 0.00 0.00 -0.02 0.00 1.34 0.00 0.00 72.50 73.82 1ckv s THR 112 CO 0.00 0.00 1.87 -0.63 -0.54 0.00 0.00 174.62 175.32 1ckv s ILE 113 N 1.20 3.40 0.00 2.99 -1.09 0.36 -4.80 121.20 123.26 1ckv s ILE 113 Ca 0.25 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 1ckv s ILE 113 Cb -0.01 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1ckv s ILE 113 CO -0.06 -0.33 0.00 0.61 -1.23 0.00 0.00 174.94 173.93 1ckv n GLY 114 N 5.44 4.40 3.66 6.18 0.00 -1.26 -2.22 105.19 121.39 1ckv n GLY 114 Ca 0.24 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.40 4.24 -0.20 1.61 1.81 0.48 -4.80 118.95 118.69 1ckv s ARG 115 Ca 0.00 1.58 -0.05 0.00 -1.72 0.00 0.00 55.73 55.53 1ckv s ARG 115 Cb 0.00 -3.73 -0.03 0.00 -0.45 0.00 0.00 34.95 30.75 1ckv s ARG 115 CO 0.00 -0.68 0.00 0.00 -0.68 0.00 0.00 175.30 173.94 1ckv s ALA 116 N 3.40 3.06 -0.08 2.13 0.00 -1.26 -0.38 121.76 128.63 1ckv s ALA 116 Ca 0.52 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1ckv s ALA 116 Cb -0.20 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.18 1ckv s ALA 116 CO 0.12 -0.11 0.02 1.52 0.00 0.00 0.00 175.76 177.31 1ckv s TYR 117 N 0.93 0.59 -0.04 0.00 -0.85 -1.02 -5.03 117.35 111.92 1ckv s TYR 117 Ca 0.01 -0.18 -0.18 0.00 -0.52 0.00 0.00 57.07 56.21 1ckv s TYR 117 Cb -0.14 -0.77 -0.05 0.00 0.38 0.00 0.00 41.96 41.38 1ckv s TYR 117 CO 0.02 -0.34 0.50 -0.08 -1.52 0.00 0.00 175.55 174.12 1ckv s THR 118 N 2.00 5.03 -0.13 -3.49 -1.32 -1.26 -2.64 115.64 113.82 1ckv s THR 118 Ca 0.04 1.02 -0.02 0.00 -1.21 0.00 0.00 61.69 61.53 1ckv s THR 118 Cb -0.13 -3.83 0.04 0.00 -1.51 0.00 0.00 72.50 67.08 1ckv s THR 118 CO -0.05 0.44 0.00 -1.48 -2.21 0.00 0.00 174.62 171.32 1ckv s LEU 119 N -0.21 0.95 0.00 9.08 0.05 -1.25 -4.99 118.68 122.31 1ckv s LEU 119 Ca 0.27 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.02 1ckv s LEU 119 Cb -0.17 -0.58 0.00 0.00 -2.05 0.00 0.00 46.19 43.39 1ckv s LEU 119 CO 0.14 -0.23 0.00 0.61 -0.55 0.00 0.00 176.35 176.32 1ckv n GLY 120 N 5.07 0.94 2.59 -3.48 0.00 -1.26 -3.34 105.19 105.70 1ckv n GLY 120 Ca -0.09 0.51 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 2.91 0.00 1.61 2.47 -1.26 -4.97 114.94 111.70 1ckv s ASN 121 Ca 0.00 -3.00 0.00 0.00 0.42 0.00 0.00 52.86 50.28 1ckv s ASN 121 Cb 0.00 -0.83 0.00 0.00 -1.45 0.00 0.00 41.25 38.97 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 3.01 0.00 -3.09 0.43 5.02 -1.21 -4.20 118.16 118.10 1ckv n LYS 122 Ca 0.20 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.09 1ckv n LYS 122 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.36 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 3.47 -0.14 2.13 -0.71 -0.24 -3.83 117.98 118.66 1ckv s PHE 123 Ca 0.00 1.07 -0.06 0.00 -1.04 0.00 0.00 56.93 56.90 1ckv s PHE 123 Cb 0.00 -2.79 -0.04 0.00 -1.21 0.00 0.00 43.02 38.98 1ckv s PHE 123 CO 0.00 -0.04 0.08 0.95 -1.34 0.00 0.00 175.22 174.87 1ckv s THR 124 N 1.38 4.98 -0.21 -4.49 -4.23 -1.08 -0.40 115.64 111.59 1ckv s THR 124 Ca 0.32 0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1ckv s THR 124 Cb -0.16 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.51 1ckv s THR 124 CO 0.13 0.55 -0.11 -0.63 -0.54 0.00 0.00 174.62 174.03 1ckv s ILE 125 N -0.46 2.71 0.20 2.99 1.09 0.22 -2.45 121.20 125.51 1ckv s ILE 125 Ca 0.10 -0.84 0.01 0.00 -1.10 0.00 0.00 60.65 58.83 1ckv s ILE 125 Cb -0.12 -2.25 -0.04 0.00 -1.06 0.00 0.00 42.46 38.99 1ckv s ILE 125 CO 0.02 0.39 0.36 0.28 -0.10 0.00 0.00 174.94 175.90 1ckv s THR 126 N 1.36 5.25 0.00 2.92 -1.32 0.49 -1.52 115.64 122.81 1ckv s THR 126 Ca 0.04 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 1ckv s THR 126 Cb -0.15 -3.77 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 1ckv s THR 126 CO -0.07 -0.21 0.68 -0.24 -2.21 0.00 0.00 174.62 172.57 1ckv n SER 127 N -0.85 0.00 0.00 8.08 2.88 -1.25 0.18 113.62 122.66 1ckv n SER 127 Ca -0.06 -1.36 0.00 0.00 -1.33 0.00 0.00 58.87 56.12 1ckv n SER 127 Cb 0.55 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.00 0.00 -1.35 -1.46 1.02 -1.25 -4.37 120.64 113.24 1ckv n GLU 128 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1ckv n GLU 128 Cb 0.57 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.94 1ckv n GLU 128 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ckv n LEU 129 N -2.08 -0.63 -1.24 -4.62 7.94 -1.26 -4.83 117.00 110.28 1ckv n LEU 129 Ca 0.00 0.30 0.06 0.00 -1.11 0.00 0.00 56.01 55.26 1ckv n LEU 129 Cb 0.00 -2.33 0.26 0.00 0.53 0.00 0.00 43.42 41.87 1ckv n LEU 129 CO 0.00 -0.87 0.68 0.80 -1.11 0.00 0.00 177.39 176.90 1ckv n MET 130 N -1.69 3.04 -2.01 1.96 1.56 -1.26 -4.20 117.12 114.51 1ckv n MET 130 Ca -0.12 -2.02 -0.25 0.00 -0.27 0.00 0.00 57.70 55.04 1ckv n MET 130 Cb 0.51 -1.76 0.02 0.00 2.15 0.00 0.00 33.22 34.15 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 0.80 6.33 3.49 -5.12 0.00 -1.26 -5.06 105.19 104.37 1ckv n GLY 131 Ca 0.18 -2.65 -0.30 0.00 0.00 0.00 0.00 46.02 43.25 1ckv n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ckv s LEU 132 N -3.61 0.17 -0.26 0.99 1.02 -1.26 -4.97 118.68 110.76 1ckv s LEU 132 Ca 0.52 0.82 0.11 0.00 0.02 0.00 0.00 54.13 55.60 1ckv s LEU 132 Cb 0.42 -2.49 0.50 0.00 0.02 0.00 0.00 46.19 44.63 1ckv s LEU 132 CO 0.01 -4.48 1.44 -0.90 0.02 0.00 0.00 176.35 172.44 1ckv n ASP 133 N -5.03 2.82 0.23 2.29 5.68 -1.26 -4.55 116.55 116.73 1ckv n ASP 133 Ca 0.11 -3.55 -0.15 0.00 -0.50 0.00 0.00 54.79 50.70 1ckv n ASP 133 Cb 0.59 -0.60 -0.08 0.00 -1.14 0.00 0.00 41.12 39.89 1ckv n ASP 133 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ckv h ARG 134 N 1.15 -0.54 0.00 0.11 2.43 -2.02 -3.33 114.38 112.18 1ckv h ARG 134 Ca 0.16 0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 59.08 1ckv h ARG 134 Cb 1.57 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 31.19 1ckv h ARG 134 CO 0.33 -0.36 -2.18 1.63 -1.51 0.00 0.00 179.97 177.88 1ckv n LYS 135 N -5.34 1.01 0.00 0.20 4.01 -1.26 -4.99 118.16 111.79 1ckv n LYS 135 Ca -0.11 -0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 1ckv n LYS 135 Cb 0.25 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.31 1ckv n LYS 135 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1ckv n LEU 136 N -2.59 0.00 0.00 -0.35 7.94 -1.25 -3.96 117.00 116.78 1ckv n LEU 136 Ca -0.25 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.65 1ckv n LEU 136 Cb 1.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.95 1ckv n LEU 136 CO 0.38 -0.79 0.00 -0.62 -1.11 0.00 0.00 177.39 175.25 1ckv n GLU 137 N -0.57 0.00 -3.79 1.96 1.02 -1.26 -4.66 120.64 113.33 1ckv n GLU 137 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1ckv n GLU 137 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.25 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 1.71 -0.37 1.62 1.11 -1.25 -5.08 116.67 114.40 1ckv s ASP 138 Ca 0.00 -0.13 0.06 0.00 0.18 0.00 0.00 52.55 52.66 1ckv s ASP 138 Cb 0.00 -0.50 0.19 0.00 1.07 0.00 0.00 42.92 43.67 1ckv s ASP 138 CO 0.00 -0.19 0.65 -0.47 1.18 0.00 0.00 175.17 176.34 1ckv s TYR 139 N 1.93 -1.68 0.36 4.23 6.14 -1.26 -4.96 117.35 122.11 1ckv s TYR 139 Ca 0.05 0.51 0.04 0.00 0.64 0.00 0.00 57.07 58.31 1ckv s TYR 139 Cb -0.12 0.30 -0.06 0.00 0.42 0.00 0.00 41.96 42.50 1ckv s TYR 139 CO -0.06 -1.08 0.05 -3.38 0.64 0.00 0.00 175.55 171.73 1ckv s HIS 140 N 2.19 2.05 0.00 4.97 -3.43 -1.26 -5.17 115.29 114.64 1ckv s HIS 140 Ca 0.14 -0.93 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 1ckv s HIS 140 Cb -0.05 -1.38 0.00 0.00 -1.43 0.00 0.00 32.58 29.71 1ckv s HIS 140 CO -0.14 0.07 0.00 0.00 -2.00 0.00 0.00 174.74 172.68