#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ckf s SER 29 N 0.00 1.57 -0.11 0.53 0.01 -1.26 -0.34 113.70 114.10 3ckf s SER 29 Ca 0.00 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.25 3ckf s SER 29 Cb 0.00 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 3ckf s SER 29 CO 0.00 -0.39 -0.18 -0.69 0.41 0.00 0.00 173.24 172.39 3ckf s VAL 30 N -3.44 2.58 -0.16 3.43 1.01 0.12 -4.83 120.40 119.11 3ckf s VAL 30 Ca 0.16 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 3ckf s VAL 30 Cb 0.04 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3ckf s VAL 30 CO -0.00 0.54 0.70 -0.55 0.00 0.00 0.00 175.10 175.79 3ckf s SER 31 N 0.32 6.83 -0.13 3.32 0.15 -1.26 -0.50 113.70 122.43 3ckf s SER 31 Ca -0.14 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.52 3ckf s SER 31 Cb -0.17 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3ckf s SER 31 CO 0.07 -0.26 -0.14 -0.69 1.20 0.00 0.00 173.24 173.42 3ckf s VAL 32 N 1.67 2.93 0.29 4.45 1.01 0.58 -4.97 120.40 126.36 3ckf s VAL 32 Ca 0.33 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.33 3ckf s VAL 32 Cb -0.16 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 3ckf s VAL 32 CO 0.13 0.52 1.05 -1.81 0.00 0.00 0.00 175.10 174.99 3ckf s ASP 33 N 0.43 7.30 0.21 3.32 1.01 -1.26 -1.10 116.67 126.58 3ckf s ASP 33 Ca -0.11 2.15 0.10 0.00 0.71 0.00 0.00 52.55 55.41 3ckf s ASP 33 Cb -0.16 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 3ckf s ASP 33 CO 0.05 -0.11 -0.19 -0.76 0.21 0.00 0.00 175.17 174.37 3ckf s LEU 34 N -1.55 2.50 0.41 1.23 1.43 0.94 -4.92 118.68 118.73 3ckf s LEU 34 Ca 0.45 -0.94 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 3ckf s LEU 34 Cb -0.29 -0.91 -0.12 0.00 0.03 0.00 0.00 46.19 44.90 3ckf s LEU 34 CO 0.37 -0.02 0.80 -2.65 0.23 0.00 0.00 176.35 175.08 3ckf n PRO 35 N -0.08 0.97 -1.61 1.29 -0.02 -1.26 -2.46 135.00 131.83 3ckf n PRO 35 Ca -0.10 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3ckf n PRO 35 Cb 0.58 -1.78 -0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3ckf n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ckf n GLY 36 N 1.46 0.37 3.06 -1.23 0.00 -1.26 -3.76 105.19 103.83 3ckf n GLY 36 Ca 0.11 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 3ckf n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ckf n SER 37 N 1.97 -5.95 -4.87 1.61 7.64 -1.15 -5.00 113.62 107.88 3ckf n SER 37 Ca -0.00 -0.32 -0.23 0.00 1.01 0.00 0.00 58.87 59.32 3ckf n SER 37 Cb 0.30 -4.72 -0.03 0.00 -1.01 0.00 0.00 64.21 58.76 3ckf n SER 37 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3ckf s MET 38 N -5.77 2.38 0.02 1.43 -1.94 -1.03 -4.96 119.30 109.43 3ckf s MET 38 Ca 0.35 -1.76 -0.07 0.00 -1.71 0.00 0.00 55.69 52.50 3ckf s MET 38 Cb -0.15 -2.23 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 3ckf s MET 38 CO 0.43 -0.35 0.13 0.15 -0.01 0.00 0.00 175.02 175.37 3ckf s LYS 39 N -4.17 0.53 0.01 2.03 1.02 -1.26 -0.04 119.74 117.86 3ckf s LYS 39 Ca 0.43 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.94 3ckf s LYS 39 Cb -0.02 0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 37.50 3ckf s LYS 39 CO 0.25 -0.13 -0.13 0.54 -0.92 0.00 0.00 175.35 174.96 3ckf s VAL 40 N -1.84 1.02 -0.22 3.17 0.11 -0.26 -4.54 120.40 117.85 3ckf s VAL 40 Ca -0.11 -0.69 -0.13 0.00 -2.93 0.00 0.00 61.98 58.12 3ckf s VAL 40 Cb -0.05 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3ckf s VAL 40 CO -0.01 0.18 0.27 -0.76 -3.33 0.00 0.00 175.10 171.46 3ckf s LEU 41 N -0.58 4.14 -0.09 2.54 1.43 0.54 -0.31 118.68 126.35 3ckf s LEU 41 Ca 0.04 0.31 0.02 0.00 -1.03 0.00 0.00 54.13 53.46 3ckf s LEU 41 Cb -0.06 -2.30 -0.02 0.00 0.03 0.00 0.00 46.19 43.84 3ckf s LEU 41 CO 0.00 -0.00 -0.13 -0.69 0.23 0.00 0.00 176.35 175.76 3ckf s VAL 42 N 1.16 3.07 0.49 -1.59 1.01 0.34 -1.28 120.40 123.61 3ckf s VAL 42 Ca 0.13 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.19 3ckf s VAL 42 Cb -0.14 -2.25 -0.07 0.00 0.00 0.00 0.00 36.38 33.92 3ckf s VAL 42 CO 0.06 0.56 1.39 -1.54 0.00 0.00 0.00 175.10 175.56 3ckf n SER 43 N 2.95 2.99 -0.10 3.32 3.41 -0.43 0.10 113.62 125.85 3ckf n SER 43 Ca -0.18 1.06 -0.04 0.00 -0.26 0.00 0.00 58.87 59.45 3ckf n SER 43 Cb 0.52 -1.58 0.17 0.00 -0.26 0.00 0.00 64.21 63.07 3ckf n SER 43 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ckf h LYS 44 N 1.91 0.77 -5.51 4.33 1.63 -1.01 -3.44 116.57 115.25 3ckf h LYS 44 Ca -0.51 -0.20 -0.52 0.00 -0.85 0.00 0.00 60.65 58.57 3ckf h LYS 44 Cb 1.29 -0.09 -0.14 0.00 -0.60 0.00 0.00 32.23 32.69 3ckf h LYS 44 CO 0.59 0.77 -0.65 -1.12 -3.45 0.00 0.00 179.45 175.60 3ckf s SER 45 N -6.65 2.96 0.49 4.20 0.01 -1.26 -5.06 113.70 108.38 3ckf s SER 45 Ca -0.09 -1.27 -0.04 0.00 1.31 0.00 0.00 55.95 55.86 3ckf s SER 45 Cb 0.15 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.15 3ckf s SER 45 CO 0.81 -0.41 0.76 -0.94 0.41 0.00 0.00 173.24 173.87 3ckf s SER 46 N -3.52 6.03 0.84 2.44 1.04 -1.26 -4.71 113.70 114.56 3ckf s SER 46 Ca 0.32 0.71 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 3ckf s SER 46 Cb 0.06 -1.97 0.10 0.00 0.10 0.00 0.00 66.02 64.31 3ckf s SER 46 CO 0.14 -0.68 0.65 0.59 0.98 0.00 0.00 173.24 174.92 3ckf n ASN 47 N -2.25 0.30 0.28 7.02 3.02 0.46 -4.86 115.26 119.23 3ckf n ASN 47 Ca 0.01 -1.39 0.13 0.00 -0.03 0.00 0.00 54.58 53.30 3ckf n ASN 47 Cb 0.56 -0.47 0.80 0.00 -0.61 0.00 0.00 39.78 40.06 3ckf n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ckf h ALA 48 N -1.39 1.38 -0.13 5.41 0.00 -1.99 -0.22 119.26 122.32 3ckf h ALA 48 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ckf h ALA 48 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ckf h ALA 48 CO 0.17 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 3ckf n ASP 49 N -3.73 1.33 0.00 0.00 10.43 -1.26 -4.90 116.55 118.42 3ckf n ASP 49 Ca -0.02 -1.64 0.00 0.00 2.57 0.00 0.00 54.79 55.70 3ckf n ASP 49 Cb 0.18 -0.08 0.00 0.00 1.84 0.00 0.00 41.12 43.06 3ckf n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ckf n GLY 50 N 1.07 0.80 3.91 0.44 0.00 -0.10 -5.03 105.19 106.28 3ckf n GLY 50 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3ckf n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ckf s LYS 51 N -0.20 3.62 -0.09 1.61 -0.14 -1.26 -4.67 119.74 118.61 3ckf s LYS 51 Ca 0.00 -0.06 -0.03 0.00 -1.36 0.00 0.00 55.97 54.52 3ckf s LYS 51 Cb 0.00 -2.72 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 3ckf s LYS 51 CO 0.00 0.30 0.04 0.71 -0.76 0.00 0.00 175.35 175.64 3ckf s TYR 52 N -1.96 3.28 0.29 3.18 1.51 0.60 -0.40 117.35 123.85 3ckf s TYR 52 Ca 0.43 0.28 -0.27 0.00 -1.01 0.00 0.00 57.07 56.50 3ckf s TYR 52 Cb -0.11 -1.82 -0.09 0.00 -0.11 0.00 0.00 41.96 39.82 3ckf s TYR 52 CO 0.28 0.54 0.93 -0.51 -1.11 0.00 0.00 175.55 175.69 3ckf s ASP 53 N -0.98 7.42 -0.04 2.29 1.01 -1.26 -0.82 116.67 124.30 3ckf s ASP 53 Ca 0.14 1.85 0.04 0.00 0.71 0.00 0.00 52.55 55.30 3ckf s ASP 53 Cb -0.12 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.23 3ckf s ASP 53 CO 0.03 0.01 -0.17 -0.76 0.21 0.00 0.00 175.17 174.50 3ckf s LEU 54 N -1.76 1.93 -0.00 1.23 1.43 0.22 -1.32 118.68 120.41 3ckf s LEU 54 Ca 0.47 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3ckf s LEU 54 Cb -0.21 -0.96 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 3ckf s LEU 54 CO 0.26 0.16 -0.02 -0.63 0.23 0.00 0.00 176.35 176.35 3ckf s ILE 55 N -0.04 0.20 0.01 -0.59 -1.09 -0.40 -1.20 121.20 118.08 3ckf s ILE 55 Ca -0.02 -0.10 -0.17 0.00 -2.23 0.00 0.00 60.65 58.13 3ckf s ILE 55 Cb -0.11 -0.18 0.03 0.00 -1.58 0.00 0.00 42.46 40.63 3ckf s ILE 55 CO 0.02 0.06 0.37 0.00 -1.23 0.00 0.00 174.94 174.16 3ckf s ALA 56 N -0.01 -0.92 -0.19 9.38 0.00 -0.63 -0.34 121.76 129.05 3ckf s ALA 56 Ca 0.00 0.36 -0.02 0.00 0.00 0.00 0.00 51.96 52.31 3ckf s ALA 56 Cb -0.02 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 3ckf s ALA 56 CO -0.00 -0.34 -0.10 0.99 0.00 0.00 0.00 175.76 176.31 3ckf s THR 57 N -1.81 3.00 -0.08 0.00 2.01 -1.26 0.35 115.64 117.85 3ckf s THR 57 Ca -0.10 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.28 3ckf s THR 57 Cb -0.03 -2.33 0.02 0.00 0.01 0.00 0.00 72.50 70.18 3ckf s THR 57 CO 0.02 0.47 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 3ckf s VAL 58 N 1.19 1.01 -1.46 3.82 1.01 -0.45 -4.71 120.40 120.81 3ckf s VAL 58 Ca 0.02 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 3ckf s VAL 58 Cb -0.14 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.31 3ckf s VAL 58 CO -0.03 0.35 0.84 0.47 0.00 0.00 0.00 175.10 176.72 3ckf n ASP 59 N 4.35 -3.24 0.00 3.32 9.92 -1.26 -1.21 116.55 128.43 3ckf n ASP 59 Ca -0.18 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.26 3ckf n ASP 59 Cb 0.51 -3.82 0.00 0.00 -0.64 0.00 0.00 41.12 37.17 3ckf n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ckf n ALA 60 N -4.52 0.00 -2.89 2.24 0.00 -1.26 -4.99 120.51 109.08 3ckf n ALA 60 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 3ckf n ALA 60 Cb 0.58 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 3ckf n ALA 60 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ckf s LEU 61 N 0.00 3.53 -0.10 0.00 2.96 -0.35 -5.07 118.68 119.65 3ckf s LEU 61 Ca 0.00 -0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 3ckf s LEU 61 Cb 0.00 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3ckf s LEU 61 CO 0.00 0.16 0.97 -0.70 -1.32 0.00 0.00 176.35 175.47 3ckf s GLU 62 N 0.41 4.42 0.13 1.98 2.12 -1.26 -1.34 118.70 125.16 3ckf s GLU 62 Ca -0.00 1.33 0.08 0.00 0.36 0.00 0.00 54.97 56.74 3ckf s GLU 62 Cb -0.13 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 3ckf s GLU 62 CO 0.02 -0.29 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.80 3ckf s LEU 63 N 1.92 2.86 0.04 2.70 1.43 0.16 -4.62 118.68 123.17 3ckf s LEU 63 Ca 0.47 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3ckf s LEU 63 Cb -0.18 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.37 3ckf s LEU 63 CO 0.18 0.16 0.06 -0.94 0.23 0.00 0.00 176.35 176.04 3ckf s SER 64 N -2.34 0.25 0.03 2.29 1.04 -0.46 -1.61 113.70 112.90 3ckf s SER 64 Ca 0.21 -0.64 -0.05 0.00 0.48 0.00 0.00 55.95 55.95 3ckf s SER 64 Cb -0.10 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.25 3ckf s SER 64 CO 0.12 -0.52 0.21 0.61 0.98 0.00 0.00 173.24 174.64 3ckf n GLY 65 N 0.65 1.09 3.18 7.32 0.00 -0.34 -0.66 105.19 116.42 3ckf n GLY 65 Ca -0.18 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 3ckf n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ckf s THR 66 N -2.43 0.81 0.02 2.61 -4.23 -1.25 -0.61 115.64 110.56 3ckf s THR 66 Ca 0.05 -1.84 -0.07 0.00 -1.18 0.00 0.00 61.69 58.64 3ckf s THR 66 Cb -0.01 -1.57 -0.00 0.00 1.34 0.00 0.00 72.50 72.26 3ckf s THR 66 CO 0.01 -0.76 0.14 -0.55 -0.54 0.00 0.00 174.62 172.92 3ckf s SER 67 N -2.85 0.05 0.00 3.99 0.15 -0.00 -4.41 113.70 110.63 3ckf s SER 67 Ca 0.10 -0.30 0.19 0.00 0.70 0.00 0.00 55.95 56.64 3ckf s SER 67 Cb 0.02 0.23 0.61 0.00 -1.71 0.00 0.00 66.02 65.16 3ckf s SER 67 CO -0.03 -0.43 1.46 -0.90 1.20 0.00 0.00 173.24 174.55 3ckf n ASP 68 N 1.17 2.03 -4.67 5.45 5.68 -1.26 -0.29 116.55 124.66 3ckf n ASP 68 Ca -0.21 -1.82 -0.23 0.00 -0.50 0.00 0.00 54.79 52.02 3ckf n ASP 68 Cb 0.57 -0.17 -0.07 0.00 -1.14 0.00 0.00 41.12 40.31 3ckf n ASP 68 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3ckf s LYS 69 N -1.67 2.39 0.00 0.11 1.02 -1.26 -4.94 119.74 115.39 3ckf s LYS 69 Ca 0.32 -1.33 0.18 0.00 0.02 0.00 0.00 55.97 55.16 3ckf s LYS 69 Cb 0.17 -2.24 0.38 0.00 -0.52 0.00 0.00 37.83 35.62 3ckf s LYS 69 CO 0.25 0.38 1.30 0.27 -0.92 0.00 0.00 175.35 176.63 3ckf n ASN 70 N -0.82 3.18 -0.76 2.83 6.94 -1.26 -4.56 115.26 120.82 3ckf n ASN 70 Ca -0.07 -1.92 0.11 0.00 -0.02 0.00 0.00 54.58 52.68 3ckf n ASN 70 Cb 0.58 -0.25 0.06 0.00 -2.36 0.00 0.00 39.78 37.81 3ckf n ASN 70 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3ckf n ASN 71 N 1.12 2.56 0.00 0.53 6.94 -1.26 -4.94 115.26 120.21 3ckf n ASN 71 Ca 0.16 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.94 3ckf n ASN 71 Cb 0.51 0.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.09 3ckf n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ckf n GLY 72 N 1.30 1.10 3.82 4.83 0.00 -1.26 -4.96 105.19 110.01 3ckf n GLY 72 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3ckf n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ckf s SER 73 N -1.88 5.93 0.00 1.61 1.04 -1.26 -4.87 113.70 114.27 3ckf s SER 73 Ca 0.00 1.72 0.00 0.00 0.48 0.00 0.00 55.95 58.15 3ckf s SER 73 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3ckf s SER 73 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3ckf n GLY 74 N -1.34 0.80 3.29 7.32 0.00 -0.59 -4.70 105.19 109.97 3ckf n GLY 74 Ca 0.08 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 3ckf n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ckf s VAL 75 N -1.75 2.24 0.07 1.61 1.01 -1.26 -0.24 120.40 122.08 3ckf s VAL 75 Ca 0.00 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.05 3ckf s VAL 75 Cb 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3ckf s VAL 75 CO 0.00 0.57 -0.17 -0.76 0.00 0.00 0.00 175.10 174.73 3ckf s LEU 76 N -0.10 2.25 0.07 3.92 1.02 0.33 -3.92 118.68 122.26 3ckf s LEU 76 Ca -0.05 -0.60 0.02 0.00 0.02 0.00 0.00 54.13 53.52 3ckf s LEU 76 Cb -0.14 -0.72 -0.03 0.00 0.02 0.00 0.00 46.19 45.31 3ckf s LEU 76 CO 0.04 0.02 -0.07 -1.61 0.02 0.00 0.00 176.35 174.75 3ckf s GLU 77 N -1.61 0.70 0.37 1.70 2.02 0.17 -0.56 118.70 121.49 3ckf s GLU 77 Ca 0.03 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.79 3ckf s GLU 77 Cb -0.09 -0.26 0.05 0.00 0.10 0.00 0.00 34.13 33.93 3ckf s GLU 77 CO 0.03 0.02 0.77 0.20 0.02 0.00 0.00 175.26 176.29 3ckf s GLY 78 N -2.37 0.37 -0.04 -1.39 0.00 -0.41 -1.36 107.32 102.12 3ckf s GLY 78 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.00 3ckf s GLY 78 CO -0.02 -0.32 -0.02 0.14 0.00 0.00 0.00 173.10 172.88 3ckf s VAL 79 N -2.49 0.38 0.89 1.40 1.01 -1.26 -0.92 120.40 119.42 3ckf s VAL 79 Ca 0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 3ckf s VAL 79 Cb -0.05 -0.46 0.12 0.00 0.00 0.00 0.00 36.38 36.00 3ckf s VAL 79 CO 0.11 0.20 1.11 -0.54 0.00 0.00 0.00 175.10 175.99 3ckf s LYS 80 N 1.12 1.33 0.42 2.72 1.02 0.01 -4.90 119.74 121.46 3ckf s LYS 80 Ca -0.08 0.53 0.11 0.00 0.02 0.00 0.00 55.97 56.54 3ckf s LYS 80 Cb -0.14 -1.84 0.94 0.00 -0.52 0.00 0.00 37.83 36.27 3ckf s LYS 80 CO -0.01 -2.12 2.00 0.00 -0.92 0.00 0.00 175.35 174.30 3ckf h ALA 81 N -1.45 1.88 -0.11 5.17 0.00 -2.01 -0.32 119.26 122.42 3ckf h ALA 81 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3ckf h ALA 81 Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ckf h ALA 81 CO 0.59 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 3ckf n ASP 82 N -4.47 0.59 0.00 0.00 5.68 -1.26 -4.89 116.55 112.20 3ckf n ASP 82 Ca 0.08 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.39 3ckf n ASP 82 Cb 0.26 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 3ckf n ASP 82 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ckf n ALA 83 N -0.19 0.00 -1.77 2.12 0.00 -0.13 -4.91 120.51 115.63 3ckf n ALA 83 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 3ckf n ALA 83 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.56 3ckf n ALA 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ckf s SER 84 N -3.27 5.92 -0.01 0.00 0.01 -1.26 -4.08 113.70 111.01 3ckf s SER 84 Ca 0.00 2.95 -0.14 0.00 1.31 0.00 0.00 55.95 60.07 3ckf s SER 84 Cb 0.00 -2.66 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 3ckf s SER 84 CO 0.00 -1.15 0.38 -0.54 0.41 0.00 0.00 173.24 172.35 3ckf s LYS 85 N -2.41 3.87 -0.06 12.44 1.02 -0.61 -0.81 119.74 133.18 3ckf s LYS 85 Ca 0.60 0.35 0.04 0.00 0.02 0.00 0.00 55.97 56.98 3ckf s LYS 85 Cb -0.44 -3.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3ckf s LYS 85 CO 0.57 0.70 -0.17 0.08 -0.92 0.00 0.00 175.35 175.61 3ckf s VAL 86 N -1.09 1.49 -0.06 3.17 1.01 -0.09 -0.06 120.40 124.76 3ckf s VAL 86 Ca 0.23 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3ckf s VAL 86 Cb -0.16 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3ckf s VAL 86 CO 0.13 0.43 -0.06 -0.75 0.00 0.00 0.00 175.10 174.85 3ckf s LYS 87 N 0.23 1.07 -0.20 2.72 2.20 -0.05 -1.29 119.74 124.42 3ckf s LYS 87 Ca -0.09 -0.15 -0.06 0.00 -0.36 0.00 0.00 55.97 55.31 3ckf s LYS 87 Cb -0.14 -1.09 -0.03 0.00 -1.51 0.00 0.00 37.83 35.06 3ckf s LYS 87 CO 0.04 -0.13 0.04 -1.17 -0.36 0.00 0.00 175.35 173.76 3ckf s LEU 88 N 1.19 3.50 -0.16 5.43 2.96 0.28 -0.50 118.68 131.38 3ckf s LEU 88 Ca -0.06 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3ckf s LEU 88 Cb -0.14 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.67 3ckf s LEU 88 CO -0.02 0.09 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.03 3ckf s THR 89 N 0.84 2.30 -0.22 3.68 2.01 0.27 -0.51 115.64 124.01 3ckf s THR 89 Ca 0.02 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 3ckf s THR 89 Cb -0.14 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 3ckf s THR 89 CO 0.02 0.53 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.83 3ckf s ILE 90 N 1.01 3.59 0.80 1.82 1.01 0.67 -0.82 121.20 129.26 3ckf s ILE 90 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3ckf s ILE 90 Cb -0.15 -2.64 0.08 0.00 0.01 0.00 0.00 42.46 39.76 3ckf s ILE 90 CO -0.05 0.41 1.14 -0.94 0.00 0.00 0.00 174.94 175.51 3ckf s SER 91 N 1.39 3.93 0.34 3.58 1.04 -0.27 -1.54 113.70 122.18 3ckf s SER 91 Ca 0.05 2.11 0.06 0.00 0.48 0.00 0.00 55.95 58.65 3ckf s SER 91 Cb -0.14 -2.56 0.73 0.00 0.10 0.00 0.00 66.02 64.15 3ckf s SER 91 CO -0.01 -2.43 1.87 0.44 0.98 0.00 0.00 173.24 174.10 3ckf h ASP 92 N -1.04 0.73 -0.65 7.02 3.45 -1.95 0.31 116.42 124.29 3ckf h ASP 92 Ca -0.45 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.05 3ckf h ASP 92 Cb 1.26 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 3ckf h ASP 92 CO 0.48 0.39 0.00 -0.90 -1.57 0.00 0.00 179.24 177.64 3ckf n ASP 93 N -4.56 3.70 -0.51 6.45 5.68 -1.26 -4.77 116.55 121.29 3ckf n ASP 93 Ca 0.17 -2.08 -0.07 0.00 -0.50 0.00 0.00 54.79 52.31 3ckf n ASP 93 Cb 0.40 -0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 39.89 3ckf n ASP 93 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3ckf n LEU 94 N 1.35 -0.15 0.10 -2.12 4.77 0.10 -4.87 117.00 116.18 3ckf n LEU 94 Ca 0.22 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 3ckf n LEU 94 Cb 0.61 -1.92 0.35 0.00 -2.33 0.00 0.00 43.42 40.13 3ckf n LEU 94 CO 0.16 -0.68 0.76 0.61 -1.33 0.00 0.00 177.39 176.92 3ckf n GLY 95 N -0.84 -1.64 3.28 -0.72 0.00 -1.26 -4.50 105.19 99.51 3ckf n GLY 95 Ca -0.07 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 3ckf n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3ckf s GLN 96 N -3.12 0.63 0.09 1.61 0.74 -1.26 -0.38 119.66 117.97 3ckf s GLN 96 Ca 0.10 0.11 0.07 0.00 0.05 0.00 0.00 55.36 55.68 3ckf s GLN 96 Cb 0.12 0.29 -0.03 0.00 1.10 0.00 0.00 33.01 34.49 3ckf s GLN 96 CO 0.63 -0.15 -0.18 0.95 -0.55 0.00 0.00 175.29 175.98 3ckf s THR 97 N -0.77 1.49 -0.06 -0.34 -4.23 -0.47 -1.11 115.64 110.15 3ckf s THR 97 Ca -0.09 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3ckf s THR 97 Cb -0.04 -1.40 0.01 0.00 1.34 0.00 0.00 72.50 72.41 3ckf s THR 97 CO 0.03 -0.14 -0.12 0.42 -0.54 0.00 0.00 174.62 174.27 3ckf s THR 98 N -1.28 1.12 -0.28 3.99 -4.23 -0.01 -0.55 115.64 114.40 3ckf s THR 98 Ca 0.04 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.05 3ckf s THR 98 Cb -0.10 -1.01 0.04 0.00 1.34 0.00 0.00 72.50 72.78 3ckf s THR 98 CO 0.04 0.35 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.21 3ckf s LEU 99 N 0.53 3.63 -0.06 4.79 0.20 0.22 -0.56 118.68 127.43 3ckf s LEU 99 Ca -0.12 -1.16 0.02 0.00 0.69 0.00 0.00 54.13 53.56 3ckf s LEU 99 Cb -0.14 -1.68 -0.03 0.00 -0.43 0.00 0.00 46.19 43.91 3ckf s LEU 99 CO 0.03 -0.21 -0.10 -1.61 -0.29 0.00 0.00 176.35 174.17 3ckf s GLU 100 N 1.26 2.68 -0.08 1.98 2.02 0.34 -0.81 118.70 126.09 3ckf s GLU 100 Ca -0.04 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.39 3ckf s GLU 100 Cb -0.19 -2.51 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 3ckf s GLU 100 CO -0.02 0.63 -0.24 0.08 0.02 0.00 0.00 175.26 175.72 3ckf s VAL 101 N -0.73 2.08 0.27 2.63 1.01 -0.43 -0.87 120.40 124.35 3ckf s VAL 101 Ca 0.11 -1.03 0.12 0.00 0.00 0.00 0.00 61.98 61.18 3ckf s VAL 101 Cb -0.11 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3ckf s VAL 101 CO 0.01 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.11 3ckf s PHE 102 N 0.14 2.28 1.14 5.22 0.40 0.91 0.03 117.98 128.10 3ckf s PHE 102 Ca -0.13 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.74 3ckf s PHE 102 Cb -0.16 -1.00 0.27 0.00 0.51 0.00 0.00 43.02 42.63 3ckf s PHE 102 CO 0.07 0.69 1.04 0.15 0.70 0.00 0.00 175.22 177.87 3ckf s LYS 103 N -3.43 -0.72 0.58 0.44 1.02 -0.07 -1.58 119.74 115.99 3ckf s LYS 103 Ca 0.29 0.95 0.35 0.00 0.02 0.00 0.00 55.97 57.59 3ckf s LYS 103 Cb -0.05 -1.57 1.79 0.00 -0.52 0.00 0.00 37.83 37.48 3ckf s LYS 103 CO 0.14 -3.62 2.16 0.66 -0.92 0.00 0.00 175.35 173.78 3ckf h SER 104 N -2.56 0.00 0.16 2.83 4.64 -1.92 0.90 113.55 117.61 3ckf h SER 104 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 3ckf h SER 104 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3ckf h SER 104 CO 0.49 0.04 -0.09 -0.90 -0.87 0.00 0.00 176.83 175.50 3ckf n ASP 105 N -3.31 0.86 0.00 4.97 5.68 -1.26 -4.78 116.55 118.71 3ckf n ASP 105 Ca -0.02 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 3ckf n ASP 105 Cb 0.19 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3ckf n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ckf n GLY 106 N 1.22 0.72 0.05 6.12 0.00 0.31 -4.88 105.19 108.74 3ckf n GLY 106 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 3ckf n GLY 106 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ckf n SER 107 N -0.04 0.59 -3.99 1.61 7.64 -1.26 -4.82 113.62 113.34 3ckf n SER 107 Ca 0.00 -0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 3ckf n SER 107 Cb 0.02 0.85 -0.17 0.00 -1.01 0.00 0.00 64.21 63.91 3ckf n SER 107 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3ckf s THR 108 N -3.30 1.41 0.04 0.44 2.01 -1.26 -5.03 115.64 109.96 3ckf s THR 108 Ca 0.01 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 3ckf s THR 108 Cb 0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 3ckf s THR 108 CO 0.81 0.43 1.05 -0.22 -0.69 0.00 0.00 174.62 176.00 3ckf s LEU 109 N 1.52 4.39 -0.21 4.42 2.96 -1.26 -0.89 118.68 129.61 3ckf s LEU 109 Ca 0.04 1.79 -0.00 0.00 -0.22 0.00 0.00 54.13 55.74 3ckf s LEU 109 Cb -0.13 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 3ckf s LEU 109 CO -0.10 -0.30 -0.20 0.52 -1.32 0.00 0.00 176.35 174.96 3ckf n VAL 110 N 3.74 1.18 -3.76 1.68 0.31 0.10 -4.67 118.33 116.91 3ckf n VAL 110 Ca 0.06 -0.43 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 3ckf n VAL 110 Cb 0.49 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 32.02 3ckf n VAL 110 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ckf s SER 111 N -6.15 -0.18 -0.12 4.52 0.01 -1.03 -3.24 113.70 107.52 3ckf s SER 111 Ca -0.28 0.03 -0.05 0.00 1.31 0.00 0.00 55.95 56.96 3ckf s SER 111 Cb 0.08 0.32 0.06 0.00 0.21 0.00 0.00 66.02 66.68 3ckf s SER 111 CO 0.46 -0.48 0.25 -0.75 0.41 0.00 0.00 173.24 173.13 3ckf s LYS 112 N -1.55 0.15 -0.21 12.44 2.20 -0.13 -1.32 119.74 131.33 3ckf s LYS 112 Ca -0.12 0.67 -0.02 0.00 -0.36 0.00 0.00 55.97 56.14 3ckf s LYS 112 Cb -0.04 -0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 3ckf s LYS 112 CO 0.03 -0.25 -0.10 0.21 -0.36 0.00 0.00 175.35 174.88 3ckf s LYS 113 N 2.08 3.19 -0.23 4.03 2.20 0.01 -0.50 119.74 130.53 3ckf s LYS 113 Ca -0.02 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 54.81 3ckf s LYS 113 Cb -0.12 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 3ckf s LYS 113 CO -0.08 -0.22 0.00 0.08 -0.36 0.00 0.00 175.35 174.77 3ckf s VAL 114 N 1.40 3.77 -0.21 4.02 1.01 0.64 -0.61 120.40 130.41 3ckf s VAL 114 Ca 0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3ckf s VAL 114 Cb -0.14 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 3ckf s VAL 114 CO -0.07 0.40 0.00 -0.89 0.00 0.00 0.00 175.10 174.54 3ckf s THR 115 N 1.46 3.92 0.64 3.92 2.01 0.29 -0.64 115.64 127.23 3ckf s THR 115 Ca 0.05 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 3ckf s THR 115 Cb -0.15 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.62 3ckf s THR 115 CO -0.00 0.42 0.95 -0.13 -0.69 0.00 0.00 174.62 175.16 3ckf s ARG 116 N 1.14 2.57 0.47 4.92 3.00 -0.28 -1.37 118.95 129.41 3ckf s ARG 116 Ca 0.03 -0.16 0.17 0.00 0.00 0.00 0.00 55.73 55.77 3ckf s ARG 116 Cb -0.14 -2.23 1.15 0.00 0.00 0.00 0.00 34.95 33.72 3ckf s ARG 116 CO 0.01 -0.95 2.01 0.00 0.00 0.00 0.00 175.30 176.37 3ckf h ALA 117 N -0.36 2.13 0.00 2.13 0.00 -1.03 0.17 119.26 122.30 3ckf h ALA 117 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ckf h ALA 117 Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ckf h ALA 117 CO 0.60 -0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.20 3ckf n ASP 118 N -4.46 0.00 0.00 0.00 5.68 -1.26 -4.83 116.55 111.69 3ckf n ASP 118 Ca 0.08 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.59 3ckf n ASP 118 Cb 0.39 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3ckf n ASP 118 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ckf n GLY 119 N 0.85 1.86 3.79 6.12 0.00 0.59 -4.87 105.19 113.53 3ckf n GLY 119 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3ckf n GLY 119 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ckf s THR 120 N -2.40 3.50 0.04 2.61 -4.23 -1.26 -4.34 115.64 109.56 3ckf s THR 120 Ca 0.00 0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.98 3ckf s THR 120 Cb 0.00 -3.11 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 3ckf s THR 120 CO 0.00 -0.64 -0.01 0.00 -0.54 0.00 0.00 174.62 173.43 3ckf s ARG 121 N -5.00 0.50 -0.19 3.99 1.70 -0.99 -1.12 118.95 117.84 3ckf s ARG 121 Ca 0.60 -0.92 -0.05 0.00 -0.47 0.00 0.00 55.73 54.89 3ckf s ARG 121 Cb -0.16 0.18 -0.02 0.00 -0.57 0.00 0.00 34.95 34.38 3ckf s ARG 121 CO 0.55 -0.09 -0.01 -0.51 -1.08 0.00 0.00 175.30 174.16 3ckf s LEU 122 N -2.26 3.25 -0.24 -1.89 1.43 0.19 -0.36 118.68 118.79 3ckf s LEU 122 Ca -0.03 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 52.84 3ckf s LEU 122 Cb -0.00 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3ckf s LEU 122 CO -0.06 0.09 -0.01 -1.61 0.23 0.00 0.00 176.35 174.99 3ckf s GLU 123 N 0.85 3.20 -0.21 1.70 2.02 0.73 -0.26 118.70 126.72 3ckf s GLU 123 Ca 0.00 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.17 3ckf s GLU 123 Cb -0.14 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 3ckf s GLU 123 CO 0.02 -0.30 0.05 0.71 0.02 0.00 0.00 175.26 175.76 3ckf s TYR 124 N 1.45 3.15 0.16 1.61 2.02 0.34 -1.30 117.35 124.79 3ckf s TYR 124 Ca 0.04 -0.16 -0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3ckf s TYR 124 Cb -0.15 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3ckf s TYR 124 CO -0.02 -0.07 0.07 0.95 -1.57 0.00 0.00 175.55 174.91 3ckf s THR 125 N 0.87 0.18 -1.45 -0.71 -4.23 -0.53 -0.96 115.64 108.82 3ckf s THR 125 Ca 0.03 -1.95 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 3ckf s THR 125 Cb -0.14 -2.21 0.04 0.00 1.34 0.00 0.00 72.50 71.53 3ckf s THR 125 CO 0.02 -0.31 1.04 0.61 -0.54 0.00 0.00 174.62 175.44 3ckf n GLY 126 N -0.18 -0.53 3.70 3.99 0.00 -1.22 -0.68 105.19 110.28 3ckf n GLY 126 Ca -0.03 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ckf n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ckf s ILE 127 N -3.29 3.87 0.48 -0.61 1.01 -1.20 -4.36 121.20 117.11 3ckf s ILE 127 Ca 0.59 1.29 0.08 0.00 0.00 0.00 0.00 60.65 62.61 3ckf s ILE 127 Cb -0.28 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3ckf s ILE 127 CO 0.73 0.04 0.51 -0.54 0.00 0.00 0.00 174.94 175.68 3ckf s LYS 128 N 1.81 2.46 0.41 2.79 -0.14 0.22 -4.81 119.74 122.49 3ckf s LYS 128 Ca 0.61 -1.63 0.29 0.00 -1.36 0.00 0.00 55.97 53.88 3ckf s LYS 128 Cb -0.30 -2.43 1.15 0.00 -1.68 0.00 0.00 37.83 34.57 3ckf s LYS 128 CO 0.27 -0.46 1.85 0.66 -0.76 0.00 0.00 175.35 176.91 3ckf h SER 129 N 0.70 0.00 -0.34 2.83 4.64 -1.95 -0.31 113.55 119.13 3ckf h SER 129 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3ckf h SER 129 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ckf h SER 129 CO 0.51 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.57 3ckf n ASP 130 N -2.70 1.96 -0.01 4.97 5.75 -1.26 -4.90 116.55 120.36 3ckf n ASP 130 Ca 0.02 -2.04 -0.00 0.00 -0.01 0.00 0.00 54.79 52.75 3ckf n ASP 130 Cb 0.29 -0.26 -0.00 0.00 -1.03 0.00 0.00 41.12 40.11 3ckf n ASP 130 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ckf n GLY 131 N 0.97 0.47 3.95 6.12 0.00 -0.13 -4.09 105.19 112.49 3ckf n GLY 131 Ca 0.12 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3ckf n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ckf s SER 132 N -2.06 5.67 0.00 1.61 1.04 -1.25 -3.49 113.70 115.21 3ckf s SER 132 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 3ckf s SER 132 Cb 0.00 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.68 3ckf s SER 132 CO 0.00 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3ckf n GLY 133 N -2.24 -1.31 3.87 7.32 0.00 -0.34 -0.61 105.19 111.88 3ckf n GLY 133 Ca 0.03 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 3ckf n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ckf s LYS 134 N -0.70 3.76 -0.02 1.61 -0.14 0.15 -0.77 119.74 123.63 3ckf s LYS 134 Ca 0.00 0.17 0.04 0.00 -1.36 0.00 0.00 55.97 54.82 3ckf s LYS 134 Cb 0.00 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.16 3ckf s LYS 134 CO 0.00 0.55 -0.13 0.00 -0.76 0.00 0.00 175.35 175.01 3ckf s ALA 135 N -1.42 1.11 -0.05 5.17 0.00 -0.61 -1.45 121.76 124.52 3ckf s ALA 135 Ca 0.34 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3ckf s ALA 135 Cb -0.14 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3ckf s ALA 135 CO 0.18 0.23 -0.07 0.21 0.00 0.00 0.00 175.76 176.32 3ckf s LYS 136 N -0.10 1.08 -0.21 0.00 2.20 -0.42 -0.66 119.74 121.63 3ckf s LYS 136 Ca 0.01 -0.19 -0.06 0.00 -0.36 0.00 0.00 55.97 55.36 3ckf s LYS 136 Cb -0.07 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.21 3ckf s LYS 136 CO 0.00 -0.06 0.04 -2.00 -0.36 0.00 0.00 175.35 172.98 3ckf s GLU 137 N 0.86 3.73 -0.45 4.03 2.12 0.49 -0.19 118.70 129.29 3ckf s GLU 137 Ca -0.12 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 3ckf s GLU 137 Cb -0.15 -3.20 0.08 0.00 0.26 0.00 0.00 34.13 31.13 3ckf s GLU 137 CO 0.01 0.02 0.33 0.08 -0.54 0.00 0.00 175.26 175.16 3ckf s VAL 138 N 1.03 4.65 0.53 3.70 1.01 0.51 -0.76 120.40 131.07 3ckf s VAL 138 Ca 0.03 -1.33 0.09 0.00 0.00 0.00 0.00 61.98 60.77 3ckf s VAL 138 Cb -0.14 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.46 3ckf s VAL 138 CO 0.03 -0.58 0.73 -0.76 0.00 0.00 0.00 175.10 174.51 3ckf s LEU 139 N 1.51 3.27 -0.61 3.92 2.01 -0.14 -2.33 118.68 126.31 3ckf s LEU 139 Ca 0.04 -0.70 -0.28 0.00 0.01 0.00 0.00 54.13 53.20 3ckf s LEU 139 Cb -0.24 -1.96 0.03 0.00 0.01 0.00 0.00 46.19 44.02 3ckf s LEU 139 CO 0.03 -1.18 1.26 -0.54 1.01 0.00 0.00 176.35 176.94 3ckf s LYS 140 N -4.59 3.40 0.00 1.70 -0.14 -1.26 -3.49 119.74 115.36 3ckf s LYS 140 Ca 0.60 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 55.41 3ckf s LYS 140 Cb -0.07 -4.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.01 3ckf s LYS 140 CO 0.37 -1.84 0.00 0.41 -0.76 0.00 0.00 175.35 173.54 3ckf n GLY 141 N 5.17 1.79 3.62 -3.33 0.00 -1.26 -4.82 105.19 106.36 3ckf n GLY 141 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 3ckf n GLY 141 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ckf s TYR 142 N -2.34 -0.30 0.01 1.61 1.13 -1.23 -4.46 117.35 111.78 3ckf s TYR 142 Ca 0.00 0.04 0.08 0.00 -1.41 0.00 0.00 57.07 55.78 3ckf s TYR 142 Cb 0.00 0.60 -0.02 0.00 -1.10 0.00 0.00 41.96 41.44 3ckf s TYR 142 CO 0.00 -0.82 -0.25 0.08 -2.51 0.00 0.00 175.55 172.05 3ckf s VAL 143 N -3.45 2.21 -0.08 -3.49 1.01 -1.26 -0.96 120.40 114.37 3ckf s VAL 143 Ca 0.07 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.87 3ckf s VAL 143 Cb -0.02 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3ckf s VAL 143 CO -0.04 0.49 -0.07 -0.76 0.00 0.00 0.00 175.10 174.72 3ckf s LEU 144 N -0.90 3.15 0.06 3.92 1.43 0.06 -4.97 118.68 121.43 3ckf s LEU 144 Ca 0.11 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 3ckf s LEU 144 Cb -0.10 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3ckf s LEU 144 CO 0.01 0.32 -0.06 -1.61 0.23 0.00 0.00 176.35 175.23 3ckf s GLU 145 N -0.56 2.39 0.00 1.70 0.41 -1.26 -0.38 118.70 121.00 3ckf s GLU 145 Ca 0.08 -0.86 0.00 0.00 -0.41 0.00 0.00 54.97 53.78 3ckf s GLU 145 Cb -0.12 -2.44 0.00 0.00 -1.78 0.00 0.00 34.13 29.80 3ckf s GLU 145 CO 0.02 0.55 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 3ckf n GLY 146 N 1.02 1.50 3.12 -1.39 0.00 0.16 -1.18 105.19 108.42 3ckf n GLY 146 Ca -0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 3ckf n GLY 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ckf s THR 147 N -0.05 0.53 -0.07 2.61 -4.23 -0.26 -1.57 115.64 112.61 3ckf s THR 147 Ca 0.00 -1.66 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 3ckf s THR 147 Cb 0.00 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 3ckf s THR 147 CO 0.00 -0.77 -0.13 -0.22 -0.54 0.00 0.00 174.62 172.96 3ckf s LEU 148 N -2.60 2.77 0.35 4.79 2.96 0.05 -0.47 118.68 126.53 3ckf s LEU 148 Ca 0.04 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3ckf s LEU 148 Cb 0.02 -1.58 -0.06 0.00 0.50 0.00 0.00 46.19 45.07 3ckf s LEU 148 CO -0.04 0.30 0.06 0.42 -1.32 0.00 0.00 176.35 175.77 3ckf s THR 149 N -0.47 1.17 0.49 3.68 -4.23 0.61 -1.20 115.64 115.69 3ckf s THR 149 Ca 0.06 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.72 3ckf s THR 149 Cb -0.12 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 71.29 3ckf s THR 149 CO 0.02 0.00 2.09 0.00 -0.54 0.00 0.00 174.62 176.19 3ckf h ALA 150 N 2.01 2.01 0.02 3.99 0.00 -1.70 -2.03 119.26 123.55 3ckf h ALA 150 Ca -0.40 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ckf h ALA 150 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ckf h ALA 150 CO 0.69 -0.05 -0.01 1.49 0.00 0.00 0.00 179.25 181.38 3ckf h GLU 151 N 0.16 -0.02 -3.16 0.00 4.81 -1.92 -3.47 114.58 110.98 3ckf h GLU 151 Ca 0.09 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3ckf h GLU 151 Cb 0.18 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.45 3ckf h GLU 151 CO -0.02 0.71 0.10 -1.59 -0.73 0.00 0.00 179.01 177.49 3ckf s LYS 152 N -2.43 1.25 -0.10 1.92 -2.85 -0.76 -3.97 119.74 112.79 3ckf s LYS 152 Ca -0.15 -0.62 -0.11 0.00 -1.00 0.00 0.00 55.97 54.10 3ckf s LYS 152 Cb -0.02 0.55 -0.05 0.00 -2.06 0.00 0.00 37.83 36.25 3ckf s LYS 152 CO 0.56 -0.53 0.24 0.99 0.10 0.00 0.00 175.35 176.71 3ckf s THR 153 N -3.79 5.33 -0.16 3.79 2.01 0.06 -0.28 115.64 122.60 3ckf s THR 153 Ca 0.03 0.44 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 3ckf s THR 153 Cb -0.00 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 69.01 3ckf s THR 153 CO -0.10 0.55 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.43 3ckf s THR 154 N -0.61 1.08 -0.11 -0.82 2.01 0.38 -0.48 115.64 117.08 3ckf s THR 154 Ca 0.17 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.55 3ckf s THR 154 Cb -0.13 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 3ckf s THR 154 CO 0.06 0.16 0.10 -0.76 -0.69 0.00 0.00 174.62 173.49 3ckf s LEU 155 N 1.65 4.14 -0.02 4.42 1.43 0.44 -1.10 118.68 129.64 3ckf s LEU 155 Ca 0.01 0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 3ckf s LEU 155 Cb -0.15 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3ckf s LEU 155 CO -0.08 0.39 -0.15 -0.69 0.23 0.00 0.00 176.35 176.05 3ckf s VAL 156 N -0.94 1.25 -0.08 -1.59 1.01 -0.33 -0.42 120.40 119.29 3ckf s VAL 156 Ca 0.14 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3ckf s VAL 156 Cb -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3ckf s VAL 156 CO 0.03 0.36 -0.12 -0.69 0.00 0.00 0.00 175.10 174.69 3ckf s VAL 157 N -0.17 1.16 -0.02 2.92 1.01 -0.24 -4.44 120.40 120.63 3ckf s VAL 157 Ca 0.02 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.59 3ckf s VAL 157 Cb -0.08 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3ckf s VAL 157 CO 0.00 0.37 -0.15 -0.54 0.00 0.00 0.00 175.10 174.79 3ckf s LYS 158 N 0.97 2.37 -0.22 2.72 1.02 -1.26 -0.35 119.74 124.98 3ckf s LYS 158 Ca -0.09 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.08 3ckf s LYS 158 Cb -0.15 -2.33 0.12 0.00 -0.52 0.00 0.00 37.83 34.95 3ckf s LYS 158 CO -0.00 0.60 0.39 -2.00 -0.92 0.00 0.00 175.35 173.42 3ckf s GLU 159 N -1.00 0.33 7.05 1.68 2.56 -0.33 -4.99 118.70 124.00 3ckf s GLU 159 Ca 0.13 0.73 0.00 0.00 0.00 0.00 0.00 54.97 55.83 3ckf s GLU 159 Cb -0.11 -0.15 0.00 0.00 2.00 0.00 0.00 34.13 35.87 3ckf s GLU 159 CO 0.03 -0.49 0.00 0.41 -0.56 0.00 0.00 175.26 174.65 3ckf n GLY 160 N 5.37 2.82 0.58 -1.50 0.00 -1.26 -1.23 105.19 109.97 3ckf n GLY 160 Ca -0.05 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.78 3ckf n GLY 160 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ckf n THR 161 N 0.00 0.21 -3.56 2.61 -2.24 -1.26 -4.89 114.28 105.15 3ckf n THR 161 Ca 0.00 -0.36 -0.37 0.00 -2.27 0.00 0.00 64.05 61.05 3ckf n THR 161 Cb 0.00 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 3ckf n THR 161 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ckf s VAL 162 N -1.79 5.22 -0.18 2.28 1.01 -0.37 -1.78 120.40 124.79 3ckf s VAL 162 Ca 0.33 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.97 3ckf s VAL 162 Cb 0.18 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3ckf s VAL 162 CO 0.27 0.49 -0.18 -0.89 0.00 0.00 0.00 175.10 174.79 3ckf s THR 163 N -0.36 1.94 -0.21 3.92 2.01 0.76 -1.19 115.64 122.51 3ckf s THR 163 Ca 0.20 -0.90 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 3ckf s THR 163 Cb -0.14 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 3ckf s THR 163 CO 0.08 0.49 0.22 -0.22 -0.69 0.00 0.00 174.62 174.50 3ckf s LEU 164 N 1.33 4.17 -0.18 4.42 2.96 0.52 -1.20 118.68 130.71 3ckf s LEU 164 Ca 0.04 0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3ckf s LEU 164 Cb -0.13 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.35 3ckf s LEU 164 CO -0.12 0.07 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.37 3ckf s SER 165 N 0.78 3.08 -0.38 3.68 0.01 0.19 -1.08 113.70 119.98 3ckf s SER 165 Ca 0.12 -0.65 -0.15 0.00 1.31 0.00 0.00 55.95 56.57 3ckf s SER 165 Cb -0.13 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.72 3ckf s SER 165 CO 0.03 -0.03 0.35 -0.75 0.41 0.00 0.00 173.24 173.25 3ckf s LYS 166 N 1.34 3.31 -0.15 12.44 2.20 0.43 -0.98 119.74 138.34 3ckf s LYS 166 Ca 0.04 -0.67 -0.08 0.00 -0.36 0.00 0.00 55.97 54.90 3ckf s LYS 166 Cb -0.13 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 3ckf s LYS 166 CO -0.12 -0.64 0.13 -0.80 -0.36 0.00 0.00 175.35 173.56 3ckf s ASN 167 N 1.74 6.28 -0.10 1.43 0.01 0.99 -0.42 114.94 124.88 3ckf s ASN 167 Ca 0.09 0.36 0.01 0.00 -0.71 0.00 0.00 52.86 52.62 3ckf s ASN 167 Cb -0.17 -2.06 0.02 0.00 0.41 0.00 0.00 41.25 39.44 3ckf s ASN 167 CO 0.12 0.31 -0.10 -0.63 -1.51 0.00 0.00 177.10 175.29 3ckf s ILE 168 N -0.46 1.14 0.91 0.60 1.01 0.37 -0.74 121.20 124.02 3ckf s ILE 168 Ca 0.12 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 3ckf s ILE 168 Cb -0.12 -1.09 0.14 0.00 0.01 0.00 0.00 42.46 41.40 3ckf s ILE 168 CO 0.02 0.37 1.15 -0.94 0.00 0.00 0.00 174.94 175.54 3ckf s SER 169 N 1.23 3.55 0.43 3.58 1.04 0.10 -0.76 113.70 122.87 3ckf s SER 169 Ca -0.03 0.89 0.16 0.00 0.48 0.00 0.00 55.95 57.44 3ckf s SER 169 Cb -0.14 -1.42 1.05 0.00 0.10 0.00 0.00 66.02 65.62 3ckf s SER 169 CO -0.03 -2.52 1.92 0.50 0.98 0.00 0.00 173.24 174.09 3ckf h LYS 170 N -1.48 0.40 -0.08 4.02 3.64 -1.91 0.57 116.57 121.74 3ckf h LYS 170 Ca -0.49 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3ckf h LYS 170 Cb 1.33 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3ckf h LYS 170 CO 0.60 0.27 0.00 -1.13 -2.27 0.00 0.00 179.45 176.92 3ckf n SER 171 N -4.48 1.47 0.00 4.20 3.41 -1.26 -4.92 113.62 112.05 3ckf n SER 171 Ca 0.14 -1.57 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 3ckf n SER 171 Cb 0.52 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3ckf n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ckf n GLY 172 N 1.14 0.69 3.71 5.00 0.00 0.19 -5.05 105.19 110.87 3ckf n GLY 172 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ckf n GLY 172 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ckf s GLU 173 N -0.97 4.41 -0.14 1.61 2.12 -1.26 -4.69 118.70 119.78 3ckf s GLU 173 Ca 0.00 1.78 -0.13 0.00 0.36 0.00 0.00 54.97 56.99 3ckf s GLU 173 Cb 0.00 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 3ckf s GLU 173 CO 0.00 -0.31 0.27 0.08 -0.54 0.00 0.00 175.26 174.76 3ckf s VAL 174 N 1.31 5.31 0.08 3.70 1.01 -1.26 -0.72 120.40 129.82 3ckf s VAL 174 Ca 0.59 0.51 0.02 0.00 0.00 0.00 0.00 61.98 63.09 3ckf s VAL 174 Cb -0.29 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3ckf s VAL 174 CO 0.28 0.45 -0.07 -0.94 0.00 0.00 0.00 175.10 174.82 3ckf s SER 175 N 0.07 1.02 0.02 3.32 1.04 0.08 -5.00 113.70 114.24 3ckf s SER 175 Ca 0.16 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.74 3ckf s SER 175 Cb -0.13 0.08 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 3ckf s SER 175 CO 0.04 -0.40 -0.07 -0.69 0.98 0.00 0.00 173.24 173.11 3ckf s VAL 176 N -2.99 0.50 0.10 5.02 1.01 -1.26 -0.01 120.40 122.77 3ckf s VAL 176 Ca 0.05 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.41 3ckf s VAL 176 Cb 0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 3ckf s VAL 176 CO -0.04 -0.11 -0.03 -1.83 0.00 0.00 0.00 175.10 173.10 3ckf s GLU 177 N -0.81 0.84 -0.01 2.72 -1.05 -0.15 -4.57 118.70 115.68 3ckf s GLU 177 Ca -0.03 -1.36 0.01 0.00 -0.15 0.00 0.00 54.97 53.44 3ckf s GLU 177 Cb -0.06 -0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 3ckf s GLU 177 CO 0.00 -0.09 -0.03 -1.17 0.95 0.00 0.00 175.26 174.92 3ckf s LEU 178 N -3.04 1.87 -0.02 1.83 0.20 -1.26 -0.64 118.68 117.62 3ckf s LEU 178 Ca 0.14 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.92 3ckf s LEU 178 Cb 0.06 -0.18 0.01 0.00 -0.43 0.00 0.00 46.19 45.65 3ckf s LEU 178 CO -0.04 0.02 -0.05 0.20 -0.29 0.00 0.00 176.35 176.20 3ckf s ASN 179 N 0.10 0.76 -0.09 3.68 -0.87 -0.34 -4.51 114.94 113.67 3ckf s ASN 179 Ca -0.01 -0.11 0.02 0.00 -1.57 0.00 0.00 52.86 51.20 3ckf s ASN 179 Cb -0.03 -0.25 0.01 0.00 -0.02 0.00 0.00 41.25 40.96 3ckf s ASN 179 CO -0.00 0.00 -0.15 -0.62 -2.57 0.00 0.00 177.10 173.76 3ckf s ASP 180 N 0.42 2.22 0.00 -1.22 -1.08 -1.26 -0.17 116.67 115.58 3ckf s ASP 180 Ca -0.05 -0.38 0.27 0.00 -0.52 0.00 0.00 52.55 51.87 3ckf s ASP 180 Cb -0.09 -1.01 0.94 0.00 -1.46 0.00 0.00 42.92 41.31 3ckf s ASP 180 CO -0.00 0.04 1.68 0.35 0.52 0.00 0.00 175.17 177.76 3ckf n THR 181 N 3.95 0.00 -1.64 1.71 -2.24 -0.73 -4.90 114.28 110.44 3ckf n THR 181 Ca -0.21 -0.19 -0.53 0.00 -2.27 0.00 0.00 64.05 60.85 3ckf n THR 181 Cb 0.52 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 3ckf n THR 181 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ckf n ASP 182 N -0.19 2.06 -3.48 3.42 -0.08 -1.26 -4.90 116.55 112.13 3ckf n ASP 182 Ca 0.16 1.10 -0.36 0.00 -1.51 0.00 0.00 54.79 54.18 3ckf n ASP 182 Cb 0.35 -1.20 -0.01 0.00 2.34 0.00 0.00 41.12 42.60 3ckf n ASP 182 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3ckf n SER 183 N 3.61 6.02 -3.45 1.67 3.41 -1.26 -4.72 113.62 118.89 3ckf n SER 183 Ca 0.21 -3.62 -0.05 0.00 -0.26 0.00 0.00 58.87 55.15 3ckf n SER 183 Cb 0.19 -0.96 -0.06 0.00 -0.26 0.00 0.00 64.21 63.11 3ckf n SER 183 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3ckf s SER 184 N -2.15 -0.46 0.48 4.04 0.15 -1.26 -5.04 113.70 109.46 3ckf s SER 184 Ca 0.41 0.81 0.13 0.00 0.70 0.00 0.00 55.95 58.00 3ckf s SER 184 Cb 0.19 1.59 1.14 0.00 -1.71 0.00 0.00 66.02 67.22 3ckf s SER 184 CO -0.08 -0.26 2.11 0.00 1.20 0.00 0.00 173.24 176.21 3ckf h ALA 185 N 8.11 1.92 -0.67 5.45 0.00 -1.93 0.38 119.26 132.53 3ckf h ALA 185 Ca -0.19 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.79 3ckf h ALA 185 Cb 1.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3ckf h ALA 185 CO 0.20 0.06 0.44 0.00 0.00 0.00 0.00 179.25 179.95 3ckf h ALA 186 N 1.90 1.82 0.00 0.00 0.00 -1.97 -3.21 119.26 117.80 3ckf h ALA 186 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ckf h ALA 186 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ckf h ALA 186 CO -0.01 0.06 -0.30 0.25 0.00 0.00 0.00 179.25 179.25 3ckf n THR 187 N -4.48 0.00 -1.91 0.00 -2.24 -0.65 -4.51 114.28 100.50 3ckf n THR 187 Ca 0.10 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 3ckf n THR 187 Cb 0.28 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 3ckf n THR 187 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ckf s LYS 188 N -1.02 4.21 0.06 -0.78 2.20 0.12 -4.93 119.74 119.60 3ckf s LYS 188 Ca 0.00 2.40 -0.20 0.00 -0.36 0.00 0.00 55.97 57.81 3ckf s LYS 188 Cb 0.00 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.13 3ckf s LYS 188 CO 0.00 -0.60 0.59 0.15 -0.36 0.00 0.00 175.35 175.13 3ckf s LYS 189 N 0.79 4.25 0.25 4.03 3.01 -1.26 -4.17 119.74 126.64 3ckf s LYS 189 Ca 0.68 0.76 0.05 0.00 -1.01 0.00 0.00 55.97 56.45 3ckf s LYS 189 Cb -0.44 -3.27 -0.05 0.00 -1.01 0.00 0.00 37.83 33.06 3ckf s LYS 189 CO 0.34 0.57 -0.03 0.95 0.51 0.00 0.00 175.35 177.69 3ckf s THR 190 N -0.88 1.35 0.00 2.17 -4.23 -0.20 -4.16 115.64 109.69 3ckf s THR 190 Ca 0.30 -2.08 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 3ckf s THR 190 Cb -0.19 -2.38 0.03 0.00 1.34 0.00 0.00 72.50 71.29 3ckf s THR 190 CO 0.19 -0.32 0.38 0.00 -0.54 0.00 0.00 174.62 174.33 3ckf s ALA 191 N -3.21 -0.95 -0.03 3.99 0.00 -1.26 -0.31 121.76 119.99 3ckf s ALA 191 Ca 0.29 0.40 0.06 0.00 0.00 0.00 0.00 51.96 52.71 3ckf s ALA 191 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3ckf s ALA 191 CO 0.10 -0.34 -0.21 0.00 0.00 0.00 0.00 175.76 175.30 3ckf s ALA 192 N -1.77 1.83 -0.21 0.00 0.00 -0.44 -4.75 121.76 116.42 3ckf s ALA 192 Ca -0.10 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 3ckf s ALA 192 Cb -0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.52 3ckf s ALA 192 CO 0.02 0.40 0.18 -0.46 0.00 0.00 0.00 175.76 175.90 3ckf s TRP 193 N -0.30 3.39 -0.39 0.00 -0.11 -1.26 -1.06 118.94 119.21 3ckf s TRP 193 Ca 0.03 0.35 -0.07 0.00 1.22 0.00 0.00 56.10 57.63 3ckf s TRP 193 Cb -0.10 -2.24 0.07 0.00 -1.50 0.00 0.00 33.47 29.70 3ckf s TRP 193 CO 0.01 0.20 0.19 1.21 -4.62 0.00 0.00 176.95 173.95 3ckf s ASN 194 N 0.60 5.45 0.48 5.86 3.84 0.14 -4.96 114.94 126.36 3ckf s ASN 194 Ca 0.10 -1.47 0.27 0.00 0.21 0.00 0.00 52.86 51.97 3ckf s ASN 194 Cb -0.12 -1.92 0.93 0.00 -0.55 0.00 0.00 41.25 39.60 3ckf s ASN 194 CO 0.01 -0.47 1.82 0.77 -2.79 0.00 0.00 177.10 176.45 3ckf h SER 195 N 8.28 0.00 -0.03 -4.21 4.64 -1.96 0.76 113.55 121.03 3ckf h SER 195 Ca -0.21 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.99 3ckf h SER 195 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3ckf h SER 195 CO 0.69 0.09 -0.34 1.23 -0.87 0.00 0.00 176.83 177.63 3ckf h GLY 196 N 2.58 0.56 -0.76 -0.77 0.00 -1.96 -3.27 103.07 99.44 3ckf h GLY 196 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3ckf h GLY 196 CO 0.01 0.47 0.00 -1.30 0.00 0.00 0.00 176.54 175.72 3ckf n THR 197 N -4.06 0.59 -4.03 4.70 -2.24 -1.14 -4.99 114.28 103.11 3ckf n THR 197 Ca -0.01 -0.79 -0.29 0.00 -2.27 0.00 0.00 64.05 60.68 3ckf n THR 197 Cb 0.47 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 3ckf n THR 197 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3ckf n SER 198 N 0.29 -1.94 -4.13 3.42 2.88 0.20 -4.79 113.62 109.55 3ckf n SER 198 Ca 0.06 -0.97 -0.28 0.00 -1.33 0.00 0.00 58.87 56.36 3ckf n SER 198 Cb 0.30 -3.12 -0.17 0.00 -0.75 0.00 0.00 64.21 60.47 3ckf n SER 198 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3ckf s THR 199 N -3.64 1.54 -0.34 2.46 2.01 -0.83 -0.78 115.64 116.06 3ckf s THR 199 Ca 0.33 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.46 3ckf s THR 199 Cb -0.18 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 3ckf s THR 199 CO 0.89 0.44 0.28 -0.22 -0.69 0.00 0.00 174.62 175.32 3ckf s LEU 200 N 0.35 4.49 -0.28 4.42 2.96 0.46 -0.69 118.68 130.39 3ckf s LEU 200 Ca -0.12 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 3ckf s LEU 200 Cb -0.15 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 3ckf s LEU 200 CO 0.05 -0.27 0.19 -0.89 -1.32 0.00 0.00 176.35 174.11 3ckf s THR 201 N 1.82 5.31 0.01 3.68 2.01 -0.22 -0.55 115.64 127.70 3ckf s THR 201 Ca 0.08 0.18 -0.15 0.00 0.31 0.00 0.00 61.69 62.11 3ckf s THR 201 Cb -0.17 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.75 3ckf s THR 201 CO 0.11 0.26 0.44 -0.63 -0.69 0.00 0.00 174.62 174.10 3ckf s ILE 202 N 1.70 4.98 0.01 1.82 1.01 0.14 -1.33 121.20 129.52 3ckf s ILE 202 Ca 0.07 0.90 0.07 0.00 0.00 0.00 0.00 60.65 61.69 3ckf s ILE 202 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3ckf s ILE 202 CO 0.10 0.57 -0.20 -0.89 0.00 0.00 0.00 174.94 174.53 3ckf s THR 203 N -1.09 1.58 -0.04 2.92 2.01 0.58 -0.24 115.64 121.35 3ckf s THR 203 Ca 0.25 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.25 3ckf s THR 203 Cb -0.17 -1.34 0.02 0.00 0.01 0.00 0.00 72.50 71.02 3ckf s THR 203 CO 0.14 0.32 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.69 3ckf s VAL 204 N -0.62 0.35 -1.35 3.82 1.01 -0.10 -1.03 120.40 122.48 3ckf s VAL 204 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3ckf s VAL 204 Cb -0.08 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 3ckf s VAL 204 CO 0.00 0.20 0.52 -3.20 0.00 0.00 0.00 175.10 172.62 3ckf n ASN 205 N 4.29 -1.07 -0.60 3.32 5.15 -1.21 -1.66 115.26 123.47 3ckf n ASN 205 Ca -0.22 -0.97 -0.08 0.00 -0.60 0.00 0.00 54.58 52.71 3ckf n ASN 205 Cb 0.50 -3.29 -0.03 0.00 -0.53 0.00 0.00 39.78 36.43 3ckf n ASN 205 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3ckf n SER 206 N -2.96 -4.57 -4.02 1.20 7.64 -1.26 -4.99 113.62 104.66 3ckf n SER 206 Ca -0.28 0.19 -0.26 0.00 1.01 0.00 0.00 58.87 59.53 3ckf n SER 206 Cb 0.67 -2.75 -0.17 0.00 -1.01 0.00 0.00 64.21 60.95 3ckf n SER 206 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3ckf s LYS 207 N -2.36 1.82 0.28 1.43 1.02 -0.67 -4.99 119.74 116.27 3ckf s LYS 207 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.25 3ckf s LYS 207 Cb 0.00 -1.54 -0.12 0.00 -0.52 0.00 0.00 37.83 35.65 3ckf s LYS 207 CO 0.00 -0.02 1.57 1.63 -0.92 0.00 0.00 175.35 177.61 3ckf n LYS 208 N 4.00 2.57 -0.07 1.68 5.02 -1.26 -0.92 118.16 129.18 3ckf n LYS 208 Ca -0.21 0.92 -0.09 0.00 -2.02 0.00 0.00 58.31 56.90 3ckf n LYS 208 Cb 0.51 -2.68 -0.06 0.00 -0.02 0.00 0.00 35.03 32.78 3ckf n LYS 208 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3ckf n THR 209 N 2.23 0.77 -3.46 -0.18 -2.24 0.66 -4.05 114.28 108.01 3ckf n THR 209 Ca 0.10 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 3ckf n THR 209 Cb 0.35 -0.97 -0.04 0.00 -2.10 0.00 0.00 70.33 67.58 3ckf n THR 209 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3ckf s LYS 210 N -2.27 1.17 -0.22 -0.78 -2.85 -1.21 -1.01 119.74 112.57 3ckf s LYS 210 Ca -0.18 -0.18 -0.07 0.00 -1.00 0.00 0.00 55.97 54.54 3ckf s LYS 210 Cb 0.05 0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 36.33 3ckf s LYS 210 CO 0.32 -0.46 0.06 -0.51 0.10 0.00 0.00 175.35 174.85 3ckf s ASP 211 N -2.13 5.22 -0.38 0.03 1.01 0.11 -0.69 116.67 119.83 3ckf s ASP 211 Ca -0.03 -0.13 -0.14 0.00 0.71 0.00 0.00 52.55 52.96 3ckf s ASP 211 Cb -0.01 -1.92 0.01 0.00 1.01 0.00 0.00 42.92 42.01 3ckf s ASP 211 CO -0.04 0.04 0.27 -0.76 0.21 0.00 0.00 175.17 174.89 3ckf s LEU 212 N 1.18 4.89 -0.23 1.23 1.02 0.29 -1.50 118.68 125.56 3ckf s LEU 212 Ca 0.04 -0.75 -0.11 0.00 0.02 0.00 0.00 54.13 53.33 3ckf s LEU 212 Cb -0.14 -2.14 -0.05 0.00 0.02 0.00 0.00 46.19 43.87 3ckf s LEU 212 CO 0.03 -0.37 0.20 -0.69 0.02 0.00 0.00 176.35 175.53 3ckf s VAL 213 N 1.69 5.33 -0.63 -1.59 1.01 -0.06 -0.41 120.40 125.75 3ckf s VAL 213 Ca 0.05 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 3ckf s VAL 213 Cb -0.18 -3.54 0.15 0.00 0.00 0.00 0.00 36.38 32.81 3ckf s VAL 213 CO 0.10 0.33 0.60 -0.36 0.00 0.00 0.00 175.10 175.77 3ckf s PHE 214 N 1.08 3.38 0.76 5.22 0.40 0.04 -1.15 117.98 127.71 3ckf s PHE 214 Ca 0.09 -1.47 -0.11 0.00 -0.60 0.00 0.00 56.93 54.84 3ckf s PHE 214 Cb -0.14 -3.83 0.05 0.00 0.51 0.00 0.00 43.02 39.61 3ckf s PHE 214 CO 0.05 -1.04 1.09 0.95 0.70 0.00 0.00 175.22 176.98 3ckf s THR 215 N 1.27 3.30 -0.97 0.64 -4.23 -0.04 -4.80 115.64 110.80 3ckf s THR 215 Ca 0.08 0.42 0.20 0.00 -1.18 0.00 0.00 61.69 61.22 3ckf s THR 215 Cb -0.24 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.54 3ckf s THR 215 CO -0.00 -0.55 1.65 -1.54 -0.54 0.00 0.00 174.62 173.63 3ckf n SER 216 N -3.27 0.06 0.00 3.99 3.41 -1.26 -0.87 113.62 115.67 3ckf n SER 216 Ca 0.07 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 3ckf n SER 216 Cb 0.56 -0.52 0.58 0.00 -0.26 0.00 0.00 64.21 64.57 3ckf n SER 216 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ckf n SER 217 N -1.56 0.00 -3.68 4.04 7.64 -1.26 -4.88 113.62 113.92 3ckf n SER 217 Ca 0.05 -0.22 -0.25 0.00 1.01 0.00 0.00 58.87 59.46 3ckf n SER 217 Cb 0.24 -0.20 0.06 0.00 -1.01 0.00 0.00 64.21 63.30 3ckf n SER 217 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3ckf n ASN 218 N -1.20 -4.72 -4.71 6.43 5.15 -0.05 -4.85 115.26 111.32 3ckf n ASN 218 Ca 0.12 -0.66 -0.25 0.00 -0.60 0.00 0.00 54.58 53.20 3ckf n ASN 218 Cb 0.14 -4.59 -0.08 0.00 -0.53 0.00 0.00 39.78 34.73 3ckf n ASN 218 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3ckf s THR 219 N -3.36 2.46 -0.06 -0.44 -4.23 -1.26 -4.78 115.64 103.98 3ckf s THR 219 Ca 0.46 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.26 3ckf s THR 219 Cb -0.22 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 3ckf s THR 219 CO 0.77 -0.07 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.92 3ckf s ILE 220 N -2.56 1.93 0.20 2.99 1.01 -1.26 -0.86 121.20 122.64 3ckf s ILE 220 Ca 0.39 -0.99 0.11 0.00 0.00 0.00 0.00 60.65 60.16 3ckf s ILE 220 Cb 0.02 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 3ckf s ILE 220 CO 0.22 0.54 -0.23 0.42 0.00 0.00 0.00 174.94 175.88 3ckf s THR 221 N -0.05 2.40 -0.03 2.92 -4.23 -0.30 -0.37 115.64 115.97 3ckf s THR 221 Ca -0.06 -2.03 0.04 0.00 -1.18 0.00 0.00 61.69 58.46 3ckf s THR 221 Cb -0.14 -2.15 -0.00 0.00 1.34 0.00 0.00 72.50 71.54 3ckf s THR 221 CO 0.04 -0.13 -0.15 0.54 -0.54 0.00 0.00 174.62 174.38 3ckf s VAL 222 N -1.71 1.25 -0.02 2.29 0.11 0.25 -0.88 120.40 121.69 3ckf s VAL 222 Ca 0.21 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 3ckf s VAL 222 Cb -0.08 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 3ckf s VAL 222 CO 0.10 0.36 0.05 -1.58 -3.33 0.00 0.00 175.10 170.71 3ckf s GLN 223 N -0.03 0.02 0.34 1.54 0.74 -0.56 -0.88 119.66 120.82 3ckf s GLN 223 Ca -0.01 0.15 -0.10 0.00 0.05 0.00 0.00 55.36 55.45 3ckf s GLN 223 Cb -0.10 -0.11 -0.07 0.00 1.10 0.00 0.00 33.01 33.84 3ckf s GLN 223 CO 0.01 -0.09 0.69 -0.65 -0.55 0.00 0.00 175.29 174.70 3ckf s GLN 224 N 0.59 3.80 0.48 1.67 -1.52 -1.26 -0.71 119.66 122.70 3ckf s GLN 224 Ca -0.05 0.39 -0.04 0.00 -1.95 0.00 0.00 55.36 53.72 3ckf s GLN 224 Cb -0.07 -2.49 -0.02 0.00 -0.22 0.00 0.00 33.01 30.21 3ckf s GLN 224 CO -0.02 0.11 0.75 0.71 -0.25 0.00 0.00 175.29 176.59 3ckf s TYR 225 N -2.15 3.45 1.19 0.91 1.51 -0.18 -0.66 117.35 121.43 3ckf s TYR 225 Ca 0.50 0.63 -0.16 0.00 -1.01 0.00 0.00 57.07 57.03 3ckf s TYR 225 Cb -0.10 -2.32 0.29 0.00 -0.11 0.00 0.00 41.96 39.71 3ckf s TYR 225 CO 0.26 -0.33 1.03 0.16 -1.11 0.00 0.00 175.55 175.57 3ckf s ASP 226 N -4.15 0.84 0.41 2.29 1.47 0.32 -4.71 116.67 113.15 3ckf s ASP 226 Ca 0.48 1.16 0.29 0.00 1.18 0.00 0.00 52.55 55.65 3ckf s ASP 226 Cb -0.10 -1.77 1.41 0.00 -0.34 0.00 0.00 42.92 42.12 3ckf s ASP 226 CO 0.43 -4.23 1.88 0.77 0.68 0.00 0.00 175.17 174.69 3ckf h SER 227 N -2.65 0.00 0.66 2.11 4.64 -1.93 -1.04 113.55 115.34 3ckf h SER 227 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3ckf h SER 227 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3ckf h SER 227 CO 0.46 0.00 -0.51 0.59 -0.87 0.00 0.00 176.83 176.50 3ckf n ASN 228 N -2.56 0.53 -0.49 4.97 4.13 -1.26 -4.96 115.26 115.61 3ckf n ASN 228 Ca -0.00 -0.06 -0.06 0.00 1.68 0.00 0.00 54.58 56.13 3ckf n ASN 228 Cb 0.14 0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.53 3ckf n ASN 228 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ckf n GLY 229 N 1.44 0.87 0.00 7.41 0.00 -0.40 -4.72 105.19 109.79 3ckf n GLY 229 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3ckf n GLY 229 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ckf n THR 230 N -2.78 0.00 -3.82 2.61 -2.24 -1.26 -4.11 114.28 102.68 3ckf n THR 230 Ca -0.06 -0.44 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 3ckf n THR 230 Cb 0.23 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 69.43 3ckf n THR 230 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ckf s SER 231 N -0.26 -0.13 0.54 3.42 0.01 -1.26 -5.04 113.70 110.98 3ckf s SER 231 Ca 0.00 0.18 -0.20 0.00 1.31 0.00 0.00 55.95 57.25 3ckf s SER 231 Cb 0.00 0.34 -0.06 0.00 0.21 0.00 0.00 66.02 66.52 3ckf s SER 231 CO 0.00 -0.21 1.14 -0.76 0.41 0.00 0.00 173.24 173.83 3ckf s LEU 232 N -0.51 3.76 0.28 2.44 1.43 -1.26 -0.52 118.68 124.29 3ckf s LEU 232 Ca -0.06 2.22 0.06 0.00 -1.03 0.00 0.00 54.13 55.32 3ckf s LEU 232 Cb -0.04 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.56 3ckf s LEU 232 CO 0.01 -1.25 -0.03 -1.83 0.23 0.00 0.00 176.35 173.47 3ckf s GLU 233 N -3.25 1.55 3.90 1.70 -1.05 0.17 -4.68 118.70 117.05 3ckf s GLU 233 Ca 0.73 -1.80 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 3ckf s GLU 233 Cb -0.25 -1.07 0.00 0.00 -0.44 0.00 0.00 34.13 32.37 3ckf s GLU 233 CO 0.28 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.89 3ckf n GLY 234 N -0.59 0.93 3.08 -3.83 0.00 -1.26 -4.29 105.19 99.22 3ckf n GLY 234 Ca -0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 3ckf n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ckf s SER 235 N -4.00 1.02 0.34 1.61 1.04 -1.26 -5.05 113.70 107.40 3ckf s SER 235 Ca 0.00 -0.52 -0.29 0.00 0.48 0.00 0.00 55.95 55.62 3ckf s SER 235 Cb 0.00 0.01 -0.11 0.00 0.10 0.00 0.00 66.02 66.02 3ckf s SER 235 CO 0.00 -0.15 1.48 0.00 0.98 0.00 0.00 173.24 175.55 3ckf s ALA 236 N -1.24 3.60 -0.13 5.32 0.00 -1.26 -4.82 121.76 123.24 3ckf s ALA 236 Ca -0.07 1.52 0.02 0.00 0.00 0.00 0.00 51.96 53.42 3ckf s ALA 236 Cb -0.09 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 3ckf s ALA 236 CO 0.01 -0.97 -0.19 0.08 0.00 0.00 0.00 175.76 174.69 3ckf s VAL 237 N -0.82 2.44 0.07 0.00 1.01 -0.06 -4.90 120.40 118.14 3ckf s VAL 237 Ca 0.55 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 3ckf s VAL 237 Cb -0.46 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 3ckf s VAL 237 CO 0.57 0.54 1.19 -0.70 0.00 0.00 0.00 175.10 176.70 3ckf s GLU 238 N 0.55 4.44 0.16 2.72 2.12 -1.26 -0.58 118.70 126.86 3ckf s GLU 238 Ca -0.11 1.76 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 3ckf s GLU 238 Cb -0.16 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.81 3ckf s GLU 238 CO 0.04 -0.23 1.12 0.42 -0.54 0.00 0.00 175.26 176.07 3ckf s ILE 239 N 0.98 3.87 0.00 -3.70 1.01 0.50 -4.94 121.20 118.92 3ckf s ILE 239 Ca 0.58 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.80 3ckf s ILE 239 Cb -0.29 -4.00 0.00 0.00 0.01 0.00 0.00 42.46 38.17 3ckf s ILE 239 CO 0.30 0.25 0.20 0.35 0.00 0.00 0.00 174.94 176.03 3ckf n THR 240 N 2.58 0.00 -3.55 2.92 -2.24 -1.26 -4.65 114.28 108.08 3ckf n THR 240 Ca 0.04 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 3ckf n THR 240 Cb 0.46 1.04 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 3ckf n THR 240 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3ckf s LYS 241 N -0.52 1.14 0.35 -0.78 -2.85 -1.26 -4.36 119.74 111.46 3ckf s LYS 241 Ca 0.00 -0.58 0.04 0.00 -1.00 0.00 0.00 55.97 54.43 3ckf s LYS 241 Cb 0.00 0.51 0.67 0.00 -2.06 0.00 0.00 37.83 36.95 3ckf s LYS 241 CO 0.00 -0.46 1.98 1.25 0.10 0.00 0.00 175.35 178.22 3ckf h LEU 242 N 2.28 0.72 -2.05 2.77 5.85 -1.93 -1.77 115.31 121.18 3ckf h LEU 242 Ca -0.34 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3ckf h LEU 242 Cb 1.27 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3ckf h LEU 242 CO 0.43 0.49 -0.08 -2.24 -0.34 0.00 0.00 178.44 176.70 3ckf h ASP 243 N 0.83 0.00 0.62 1.25 -0.00 -1.98 -0.62 116.42 116.53 3ckf h ASP 243 Ca 0.29 0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 57.13 3ckf h ASP 243 Cb 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.41 3ckf h ASP 243 CO -0.08 0.08 -0.83 -0.33 -0.00 0.00 0.00 179.24 178.08 3ckf h GLU 244 N 0.00 0.15 -0.21 4.15 5.08 -1.74 0.99 114.58 122.99 3ckf h GLU 244 Ca -0.00 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3ckf h GLU 244 Cb 0.20 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3ckf h GLU 244 CO 0.01 0.89 -0.01 0.82 -1.00 0.00 0.00 179.01 179.72 3ckf h ILE 245 N 0.08 1.26 -0.83 3.13 2.04 -1.10 -2.17 117.51 119.92 3ckf h ILE 245 Ca -0.03 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3ckf h ILE 245 Cb 1.44 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.92 3ckf h ILE 245 CO 0.12 0.28 0.48 0.11 0.00 0.00 0.00 178.15 179.14 3ckf h LYS 246 N 0.14 1.15 -0.92 2.37 1.57 -1.15 -1.61 116.57 118.12 3ckf h LYS 246 Ca 0.06 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3ckf h LYS 246 Cb 0.42 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 3ckf h LYS 246 CO 0.01 0.83 0.60 -0.91 -0.57 0.00 0.00 179.45 179.42 3ckf h ASN 247 N 1.15 0.95 0.61 0.86 -0.26 -0.68 -0.80 115.58 117.43 3ckf h ASN 247 Ca 0.30 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.03 3ckf h ASN 247 Cb -0.00 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.05 3ckf h ASN 247 CO -0.05 0.62 -0.04 0.00 -1.06 0.00 0.00 177.43 176.90 3ckf h ALA 248 N 1.49 1.06 -0.01 -0.83 0.00 -0.63 -2.70 119.26 117.63 3ckf h ALA 248 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ckf h ALA 248 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ckf h ALA 248 CO -0.14 0.05 -0.30 1.28 0.00 0.00 0.00 179.25 180.14 3ckf n LEU 249 N -3.21 1.45 0.00 0.00 4.77 -0.33 -5.05 117.00 114.62 3ckf n LEU 249 Ca -0.01 -0.46 0.06 0.00 -0.03 0.00 0.00 56.01 55.57 3ckf n LEU 249 Cb 0.24 -0.07 0.38 0.00 -2.33 0.00 0.00 43.42 41.64 3ckf n LEU 249 CO 0.26 0.27 0.59 0.29 -1.33 0.00 0.00 177.39 177.47