#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkk s THR 2 N 0.00 5.18 0.00 7.28 2.01 -1.26 -5.02 115.64 123.83 1kkk s THR 2 Ca 0.00 0.89 0.00 0.00 0.31 0.00 0.00 61.69 62.89 1kkk s THR 2 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1kkk s THR 2 CO 0.00 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1kkk n GLY 3 N 3.52 1.74 3.67 4.40 0.00 -1.26 -4.79 105.19 112.47 1kkk n GLY 3 Ca -0.07 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 1kkk n GLY 3 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kkk s THR 4 N -2.50 5.22 0.12 2.61 2.01 -0.42 -4.85 115.64 117.83 1kkk s THR 4 Ca 0.00 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1kkk s THR 4 Cb 0.00 -3.40 -0.07 0.00 0.01 0.00 0.00 72.50 69.04 1kkk s THR 4 CO 0.00 0.40 1.20 -0.44 -0.69 0.00 0.00 174.62 175.10 1kkk s SER 5 N 0.68 7.08 0.16 3.53 0.01 -1.26 0.02 113.70 123.92 1kkk s SER 5 Ca 0.07 2.12 -0.00 0.00 1.31 0.00 0.00 55.95 59.45 1kkk s SER 5 Cb -0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1kkk s SER 5 CO 0.01 -0.42 0.21 1.07 0.41 0.00 0.00 173.24 174.51 1kkk n THR 6 N 3.28 0.00 -4.41 1.44 5.66 -0.46 -4.93 114.28 114.86 1kkk n THR 6 Ca 0.07 -0.85 -0.24 0.00 -3.05 0.00 0.00 64.05 59.97 1kkk n THR 6 Cb 0.45 0.51 -0.17 0.00 -1.55 0.00 0.00 70.33 69.57 1kkk n THR 6 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1kkk s VAL 7 N -2.60 1.03 0.46 1.08 1.01 -1.26 -1.39 120.40 118.72 1kkk s VAL 7 Ca 0.14 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1kkk s VAL 7 Cb -0.00 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.45 1kkk s VAL 7 CO 0.10 0.34 0.36 0.61 0.00 0.00 0.00 175.10 176.51 1kkk n GLY 8 N 4.04 2.75 3.02 4.51 0.00 0.26 -4.94 105.19 114.82 1kkk n GLY 8 Ca -0.21 -2.28 -0.13 0.00 0.00 0.00 0.00 46.02 43.40 1kkk n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkk s VAL 9 N -2.28 0.44 0.21 1.61 0.11 -1.07 -1.63 120.40 117.79 1kkk s VAL 9 Ca 0.28 -0.81 -0.12 0.00 -2.93 0.00 0.00 61.98 58.40 1kkk s VAL 9 Cb -0.02 -0.48 0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1kkk s VAL 9 CO 0.17 -0.26 0.59 0.61 -3.33 0.00 0.00 175.10 172.88 1kkk n GLY 10 N 1.90 1.13 3.27 6.54 0.00 -0.66 -0.06 105.19 117.31 1kkk n GLY 10 Ca -0.20 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 1kkk n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkk s ARG 11 N -2.05 2.23 0.49 1.61 0.52 -0.60 -1.22 118.95 119.93 1kkk s ARG 11 Ca 0.12 -0.87 -0.06 0.00 -0.52 0.00 0.00 55.73 54.40 1kkk s ARG 11 Cb -0.03 -2.01 0.11 0.00 0.52 0.00 0.00 34.95 33.54 1kkk s ARG 11 CO 0.06 0.45 0.67 0.41 0.02 0.00 0.00 175.30 176.91 1kkk n GLY 12 N 2.73 -0.56 0.36 -3.53 0.00 0.12 -4.14 105.19 100.16 1kkk n GLY 12 Ca -0.17 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.12 1kkk n GLY 12 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kkk h VAL 13 N -1.08 0.98 -0.36 1.61 2.07 -1.90 -1.18 116.25 116.39 1kkk h VAL 13 Ca -0.22 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1kkk h VAL 13 Cb 0.67 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1kkk h VAL 13 CO 0.18 0.13 0.00 0.18 0.02 0.00 0.00 177.57 178.08 1kkk n LEU 14 N -4.49 2.19 0.00 2.57 4.77 -1.26 -4.91 117.00 115.87 1kkk n LEU 14 Ca 0.11 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1kkk n LEU 14 Cb 0.28 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1kkk n LEU 14 CO 0.33 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1kkk n GLY 15 N 0.98 0.51 3.82 -0.72 0.00 -0.45 -5.04 105.19 104.29 1kkk n GLY 15 Ca 0.13 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1kkk n GLY 15 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1kkk s ASP 16 N -2.01 7.04 0.06 1.61 -4.77 -1.26 -4.76 116.67 112.57 1kkk s ASP 16 Ca 0.00 1.28 -0.21 0.00 -3.30 0.00 0.00 52.55 50.32 1kkk s ASP 16 Cb 0.00 -2.36 -0.06 0.00 -1.09 0.00 0.00 42.92 39.40 1kkk s ASP 16 CO 0.00 0.19 0.62 -1.58 0.70 0.00 0.00 175.17 175.10 1kkk s GLN 17 N -1.45 4.31 0.07 2.11 0.74 -1.26 -0.70 119.66 123.49 1kkk s GLN 17 Ca 0.34 0.82 -0.15 0.00 0.05 0.00 0.00 55.36 56.42 1kkk s GLN 17 Cb -0.18 -3.28 0.02 0.00 1.10 0.00 0.00 33.01 30.67 1kkk s GLN 17 CO 0.20 0.53 0.34 -1.59 -0.55 0.00 0.00 175.29 174.21 1kkk s LYS 18 N -0.78 0.91 0.00 1.67 -2.85 -0.36 -4.98 119.74 113.36 1kkk s LYS 18 Ca 0.31 -0.60 -0.13 0.00 -1.00 0.00 0.00 55.97 54.55 1kkk s LYS 18 Cb -0.20 0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 1kkk s LYS 18 CO 0.20 -0.32 0.38 -0.80 0.10 0.00 0.00 175.35 174.91 1kkk s ASN 19 N -2.37 6.73 0.03 0.03 0.01 -1.26 -1.66 114.94 116.45 1kkk s ASN 19 Ca -0.01 0.88 0.04 0.00 -0.71 0.00 0.00 52.86 53.06 1kkk s ASN 19 Cb 0.01 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.43 1kkk s ASN 19 CO -0.07 0.30 -0.12 0.27 -1.51 0.00 0.00 177.10 175.98 1kkk s ILE 20 N -1.14 0.94 -0.12 0.60 -4.36 -0.65 -4.98 121.20 111.49 1kkk s ILE 20 Ca 0.25 -0.83 -0.29 0.00 -0.26 0.00 0.00 60.65 59.51 1kkk s ILE 20 Cb -0.16 -0.85 -0.01 0.00 1.25 0.00 0.00 42.46 42.69 1kkk s ILE 20 CO 0.13 0.03 1.03 0.20 0.24 0.00 0.00 174.94 176.57 1kkk s ASN 21 N -0.91 7.20 0.42 4.36 0.01 -1.26 -0.57 114.94 124.19 1kkk s ASN 21 Ca 0.01 1.53 0.03 0.00 -0.71 0.00 0.00 52.86 53.73 1kkk s ASN 21 Cb -0.07 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.01 1kkk s ASN 21 CO 0.01 -0.50 0.09 0.42 -1.51 0.00 0.00 177.10 175.60 1kkk s THR 22 N 2.25 0.84 -0.05 1.60 -4.23 -0.49 -3.85 115.64 111.72 1kkk s THR 22 Ca 0.48 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1kkk s THR 22 Cb -0.18 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1kkk s THR 22 CO 0.16 0.00 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.25 1kkk s THR 23 N -3.13 0.94 -0.21 3.99 2.01 -0.51 -1.36 115.64 117.37 1kkk s THR 23 Ca 0.22 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1kkk s THR 23 Cb 0.03 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 1kkk s THR 23 CO 0.12 0.30 0.07 -0.47 -0.69 0.00 0.00 174.62 173.95 1kkk s TYR 24 N 0.48 3.20 -0.42 4.92 5.04 0.10 -0.19 117.35 130.49 1kkk s TYR 24 Ca -0.09 -0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.52 1kkk s TYR 24 Cb -0.13 -2.14 0.19 0.00 0.35 0.00 0.00 41.96 40.23 1kkk s TYR 24 CO 0.02 0.00 0.79 0.45 -1.34 0.00 0.00 175.55 175.47 1kkk s SER 25 N 0.79 -1.16 0.00 4.32 0.15 -1.26 -1.30 113.70 115.23 1kkk s SER 25 Ca 0.04 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.76 1kkk s SER 25 Cb -0.13 1.50 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1kkk s SER 25 CO 0.02 -0.09 0.00 0.41 1.20 0.00 0.00 173.24 174.78 1kkk n THR 26 N 3.61 0.00 -3.82 6.45 -1.04 -1.26 -4.76 114.28 113.46 1kkk n THR 26 Ca 0.12 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.91 1kkk n THR 26 Cb 0.59 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.05 1kkk n THR 26 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1kkk s TYR 27 N 0.00 2.68 -0.24 -1.42 2.02 -1.26 -4.99 117.35 114.13 1kkk s TYR 27 Ca 0.00 -0.52 -0.09 0.00 -0.37 0.00 0.00 57.07 56.09 1kkk s TYR 27 Cb 0.00 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1kkk s TYR 27 CO 0.00 0.03 0.11 0.71 -1.57 0.00 0.00 175.55 174.83 1kkk s TYR 28 N -2.52 3.18 0.10 2.71 1.51 0.68 -4.36 117.35 118.66 1kkk s TYR 28 Ca 0.45 -0.09 0.05 0.00 -1.01 0.00 0.00 57.07 56.46 1kkk s TYR 28 Cb -0.00 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 1kkk s TYR 28 CO 0.25 -0.14 0.03 0.71 -1.11 0.00 0.00 175.55 175.30 1kkk s TYR 29 N 1.29 3.03 -1.33 2.71 1.51 0.74 -0.05 117.35 125.24 1kkk s TYR 29 Ca 0.06 -0.02 -0.17 0.00 -1.01 0.00 0.00 57.07 55.93 1kkk s TYR 29 Cb -0.15 -1.53 0.07 0.00 -0.11 0.00 0.00 41.96 40.24 1kkk s TYR 29 CO 0.05 0.50 1.83 1.28 -1.11 0.00 0.00 175.55 178.10 1kkk n LEU 30 N 0.38 5.40 -3.70 -1.29 4.77 -0.47 -1.43 117.00 120.67 1kkk n LEU 30 Ca -0.10 -4.01 -0.25 0.00 -0.03 0.00 0.00 56.01 51.62 1kkk n LEU 30 Cb 0.52 -1.72 -0.17 0.00 -2.33 0.00 0.00 43.42 39.72 1kkk n LEU 30 CO 0.41 0.41 -0.36 -1.58 -1.33 0.00 0.00 177.39 174.94 1kkk s GLN 31 N 3.80 0.37 -0.43 3.23 0.74 -1.26 -1.90 119.66 124.21 1kkk s GLN 31 Ca 0.52 -0.06 -0.16 0.00 0.05 0.00 0.00 55.36 55.70 1kkk s GLN 31 Cb 0.06 -1.48 0.03 0.00 1.10 0.00 0.00 33.01 32.72 1kkk s GLN 31 CO 0.04 -0.51 0.37 0.34 -0.55 0.00 0.00 175.29 174.98 1kkk s ASP 32 N 2.01 6.14 0.00 6.67 2.15 -0.01 -3.03 116.67 130.60 1kkk s ASP 32 Ca 0.02 -0.95 0.28 0.00 0.43 0.00 0.00 52.55 52.33 1kkk s ASP 32 Cb -0.15 -2.19 0.99 0.00 -0.30 0.00 0.00 42.92 41.28 1kkk s ASP 32 CO -0.07 -0.54 1.71 0.59 -0.17 0.00 0.00 175.17 176.69 1kkk n ASN 33 N 5.32 1.50 0.01 -0.34 3.02 -1.26 -1.78 115.26 121.73 1kkk n ASN 33 Ca -0.10 -1.45 0.13 0.00 -0.03 0.00 0.00 54.58 53.13 1kkk n ASN 33 Cb 0.46 0.01 0.44 0.00 -0.61 0.00 0.00 39.78 40.09 1kkk n ASN 33 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1kkk n THR 34 N 0.13 0.07 -4.04 3.41 -2.24 -1.26 -4.73 114.28 105.61 1kkk n THR 34 Ca 0.18 -0.04 -0.32 0.00 -2.27 0.00 0.00 64.05 61.60 1kkk n THR 34 Cb 0.36 -0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.23 1kkk n THR 34 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1kkk s ARG 35 N -3.02 2.15 4.23 -0.78 0.52 -1.26 -5.05 118.95 115.74 1kkk s ARG 35 Ca 0.12 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1kkk s ARG 35 Cb 0.18 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.90 1kkk s ARG 35 CO 0.61 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1kkk n GLY 36 N 4.52 2.65 0.28 -3.53 0.00 -1.26 -0.53 105.19 107.32 1kkk n GLY 36 Ca -0.14 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1kkk n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kkk n ASN 37 N 1.12 0.80 0.00 1.61 3.02 -0.81 -4.98 115.26 116.02 1kkk n ASN 37 Ca 0.00 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1kkk n ASN 37 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1kkk n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kkk n GLY 38 N 0.76 2.73 3.15 7.41 0.00 0.31 -4.68 105.19 114.88 1kkk n GLY 38 Ca 0.06 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 1kkk n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkk s ILE 39 N -2.59 2.01 -0.07 -0.61 1.01 -0.73 -1.26 121.20 118.96 1kkk s ILE 39 Ca 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1kkk s ILE 39 Cb 0.00 -1.79 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1kkk s ILE 39 CO 0.00 0.54 -0.24 -0.36 0.00 0.00 0.00 174.94 174.88 1kkk s PHE 40 N 0.91 2.41 -0.11 3.97 0.08 0.65 -0.83 117.98 125.07 1kkk s PHE 40 Ca -0.05 -0.84 0.04 0.00 0.12 0.00 0.00 56.93 56.20 1kkk s PHE 40 Cb -0.15 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.70 1kkk s PHE 40 CO -0.04 -0.30 -0.23 0.99 -0.10 0.00 0.00 175.22 175.54 1kkk s THR 41 N 0.09 2.09 0.24 0.64 2.01 -0.80 -1.36 115.64 118.54 1kkk s THR 41 Ca -0.10 -1.00 0.09 0.00 0.31 0.00 0.00 61.69 60.99 1kkk s THR 41 Cb -0.15 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 1kkk s THR 41 CO 0.06 0.56 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.20 1kkk s TYR 42 N 0.43 2.68 -0.31 4.92 1.51 0.15 -1.41 117.35 125.31 1kkk s TYR 42 Ca -0.17 -0.22 -0.10 0.00 -1.01 0.00 0.00 57.07 55.57 1kkk s TYR 42 Cb -0.17 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1kkk s TYR 42 CO 0.07 0.59 0.17 0.34 -1.11 0.00 0.00 175.55 175.61 1kkk s ASP 43 N -3.42 5.69 0.00 2.29 2.15 0.06 -1.45 116.67 121.99 1kkk s ASP 43 Ca 0.30 -0.44 0.28 0.00 0.43 0.00 0.00 52.55 53.12 1kkk s ASP 43 Cb -0.07 -2.04 1.06 0.00 -0.30 0.00 0.00 42.92 41.57 1kkk s ASP 43 CO 0.19 -0.18 1.75 0.00 -0.17 0.00 0.00 175.17 176.76 1kkk n ALA 44 N 5.02 2.86 -4.09 3.66 0.00 -0.27 -2.09 120.51 125.59 1kkk n ALA 44 Ca -0.14 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 1kkk n ALA 44 Cb 0.50 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1kkk n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kkk n LYS 45 N -0.75 -3.81 -0.98 0.00 5.02 -1.24 -0.96 118.16 115.44 1kkk n LYS 45 Ca 0.14 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1kkk n LYS 45 Cb 0.30 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 1kkk n LYS 45 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1kkk n TYR 46 N -4.43 0.00 -3.18 2.13 4.01 0.83 -4.96 117.16 111.55 1kkk n TYR 46 Ca 0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.61 1kkk n TYR 46 Cb 0.50 -1.05 0.04 0.00 -0.31 0.00 0.00 39.34 38.52 1kkk n TYR 46 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1kkk s ARG 47 N -1.03 2.40 0.00 -0.72 1.81 -0.13 -3.55 118.95 117.72 1kkk s ARG 47 Ca 0.00 -1.63 0.12 0.00 -1.72 0.00 0.00 55.73 52.50 1kkk s ARG 47 Cb 0.00 -2.57 0.19 0.00 -0.45 0.00 0.00 34.95 32.12 1kkk s ARG 47 CO 0.00 -0.70 1.04 0.25 -0.68 0.00 0.00 175.30 175.22 1kkk n THR 48 N -2.07 0.42 -2.81 0.02 -2.24 -1.26 -1.18 114.28 105.16 1kkk n THR 48 Ca 0.11 -0.71 -0.41 0.00 -2.27 0.00 0.00 64.05 60.77 1kkk n THR 48 Cb 0.62 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.74 1kkk n THR 48 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kkk s THR 49 N -0.99 4.85 0.14 4.28 -4.23 -1.26 -5.03 115.64 113.40 1kkk s THR 49 Ca 0.18 1.88 0.08 0.00 -1.18 0.00 0.00 61.69 62.66 1kkk s THR 49 Cb 0.11 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 1kkk s THR 49 CO 0.16 0.22 -0.11 -0.76 -0.54 0.00 0.00 174.62 173.58 1kkk s LEU 50 N 0.74 2.94 0.11 4.79 1.43 -1.26 -3.83 118.68 123.60 1kkk s LEU 50 Ca 0.47 -0.51 0.26 0.00 -1.03 0.00 0.00 54.13 53.32 1kkk s LEU 50 Cb -0.20 -1.70 0.64 0.00 0.03 0.00 0.00 46.19 44.96 1kkk s LEU 50 CO 0.26 0.15 1.56 -0.81 0.23 0.00 0.00 176.35 177.73 1kkk n PRO 51 N 0.44 0.19 0.00 1.29 -0.04 -1.26 -5.11 135.00 130.51 1kkk n PRO 51 Ca -0.13 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1kkk n PRO 51 Cb 0.54 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1kkk n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kkk n GLY 52 N 1.38 -0.14 3.58 0.55 0.00 -1.25 -4.34 105.19 104.97 1kkk n GLY 52 Ca 0.05 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 1kkk n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kkk s SER 53 N -4.00 4.71 0.16 1.61 1.04 -0.89 -4.88 113.70 111.45 1kkk s SER 53 Ca 0.00 -0.03 -0.34 0.00 0.48 0.00 0.00 55.95 56.07 1kkk s SER 53 Cb 0.00 -1.29 -0.14 0.00 0.10 0.00 0.00 66.02 64.69 1kkk s SER 53 CO 0.00 0.33 1.58 -0.11 0.98 0.00 0.00 173.24 176.02 1kkk n LEU 54 N 2.41 3.09 -4.64 2.42 7.94 -1.26 -0.76 117.00 126.20 1kkk n LEU 54 Ca -0.18 1.08 -0.42 0.00 -1.11 0.00 0.00 56.01 55.38 1kkk n LEU 54 Cb 0.53 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 1kkk n LEU 54 CO 0.28 -0.29 1.69 0.86 -1.11 0.00 0.00 177.39 178.82 1kkk s TRP 55 N 0.96 1.22 -0.06 1.96 -0.11 -0.50 -4.81 118.94 117.59 1kkk s TRP 55 Ca 0.79 -0.14 0.03 0.00 1.22 0.00 0.00 56.10 58.00 1kkk s TRP 55 Cb -0.68 -4.15 -0.02 0.00 -1.50 0.00 0.00 33.47 27.12 1kkk s TRP 55 CO 0.38 -5.13 -0.13 0.00 -4.62 0.00 0.00 176.95 167.45 1kkk s ALA 56 N 5.79 2.69 0.00 5.86 0.00 -1.26 -1.37 121.76 133.48 1kkk s ALA 56 Ca 0.93 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.95 1kkk s ALA 56 Cb -0.40 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 1kkk s ALA 56 CO 0.40 0.52 -0.06 0.34 0.00 0.00 0.00 175.76 176.96 1kkk s ASP 57 N -0.59 0.64 0.19 0.00 2.15 0.92 -4.95 116.67 115.03 1kkk s ASP 57 Ca 0.09 -0.17 0.07 0.00 0.43 0.00 0.00 52.55 52.97 1kkk s ASP 57 Cb -0.11 -0.05 0.05 0.00 -0.30 0.00 0.00 42.92 42.51 1kkk s ASP 57 CO 0.01 0.02 1.43 0.00 -0.17 0.00 0.00 175.17 176.46 1kkk h ALA 58 N 5.78 0.62 0.00 3.66 0.00 -1.94 0.19 119.26 127.58 1kkk h ALA 58 Ca -0.29 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1kkk h ALA 58 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1kkk h ALA 58 CO 0.49 0.98 0.00 -0.40 0.00 0.00 0.00 179.25 180.31 1kkk n ASP 59 N -3.61 1.44 -0.96 0.00 5.68 -1.26 -4.73 116.55 113.11 1kkk n ASP 59 Ca -0.02 -1.61 -0.12 0.00 -0.50 0.00 0.00 54.79 52.54 1kkk n ASP 59 Cb 0.78 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.71 1kkk n ASP 59 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1kkk n ASN 60 N -0.30 -4.49 -4.13 -1.12 5.15 -1.26 -4.99 115.26 104.11 1kkk n ASN 60 Ca 0.00 0.30 -0.31 0.00 -0.60 0.00 0.00 54.58 53.97 1kkk n ASN 60 Cb 0.22 -3.10 -0.17 0.00 -0.53 0.00 0.00 39.78 36.21 1kkk n ASN 60 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1kkk s GLN 61 N -3.08 2.76 -0.67 1.20 -0.21 -1.26 -2.58 119.66 115.83 1kkk s GLN 61 Ca 0.00 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 54.68 1kkk s GLN 61 Cb 0.00 -2.27 0.26 0.00 1.00 0.00 0.00 33.01 31.99 1kkk s GLN 61 CO 0.00 -0.05 0.80 1.19 -2.12 0.00 0.00 175.29 175.12 1kkk n PHE 62 N 4.16 3.59 0.21 0.91 3.01 0.91 -4.82 117.46 125.43 1kkk n PHE 62 Ca -0.20 -4.06 0.07 0.00 1.01 0.00 0.00 57.45 54.28 1kkk n PHE 62 Cb 0.51 -0.60 0.13 0.00 -0.01 0.00 0.00 39.48 39.51 1kkk n PHE 62 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1kkk n PHE 63 N 0.85 0.30 -2.75 1.38 3.72 -1.26 -1.55 117.46 118.14 1kkk n PHE 63 Ca 0.30 -0.24 -0.34 0.00 -0.05 0.00 0.00 57.45 57.12 1kkk n PHE 63 Cb 0.40 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 1kkk n PHE 63 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1kkk s ALA 64 N -1.12 3.02 0.34 4.37 0.00 -1.26 -4.90 121.76 122.20 1kkk s ALA 64 Ca 0.24 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.70 1kkk s ALA 64 Cb 0.14 -3.18 0.66 0.00 0.00 0.00 0.00 23.12 20.74 1kkk s ALA 64 CO 0.20 0.02 1.96 0.66 0.00 0.00 0.00 175.76 178.60 1kkk h SER 65 N 1.94 0.74 0.36 0.00 4.64 -1.97 -0.47 113.55 118.80 1kkk h SER 65 Ca -0.49 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.80 1kkk h SER 65 Cb 1.19 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1kkk h SER 65 CO 0.61 0.50 -0.13 0.22 -0.87 0.00 0.00 176.83 177.16 1kkk h TYR 66 N 0.86 0.00 0.00 4.77 3.20 -1.99 -2.86 116.97 120.95 1kkk h TYR 66 Ca 0.31 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.99 1kkk h TYR 66 Cb 0.13 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.38 1kkk h TYR 66 CO -0.00 0.13 -0.87 -0.44 -1.64 0.00 0.00 178.16 175.34 1kkk h ASP 67 N 0.00 0.00 -0.78 -2.11 3.32 -1.43 -3.39 116.42 112.03 1kkk h ASP 67 Ca -0.00 0.00 0.13 0.00 0.02 0.00 0.00 57.03 57.18 1kkk h ASP 67 Cb 0.35 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.76 1kkk h ASP 67 CO 0.02 0.87 -0.35 0.00 -1.72 0.00 0.00 179.24 178.06 1kkk h ALA 68 N 1.13 0.08 -0.41 3.45 0.00 -1.38 -0.57 119.26 121.56 1kkk h ALA 68 Ca -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1kkk h ALA 68 Cb 1.58 0.87 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 1kkk h ALA 68 CO 0.11 -0.64 0.24 -1.35 0.00 0.00 0.00 179.25 177.62 1kkk h PRO 69 N -0.08 0.54 -0.27 0.00 0.11 -1.79 -2.34 132.00 128.17 1kkk h PRO 69 Ca 0.29 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 1kkk h PRO 69 Cb 0.57 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1kkk h PRO 69 CO -0.82 0.38 -0.25 0.00 -0.21 0.00 0.00 178.00 177.10 1kkk h ALA 70 N 1.71 0.39 -0.22 -0.75 0.00 -1.41 -1.57 119.26 117.42 1kkk h ALA 70 Ca 0.15 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1kkk h ALA 70 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1kkk h ALA 70 CO -0.03 0.37 0.01 0.28 0.00 0.00 0.00 179.25 179.88 1kkk h VAL 71 N 0.37 0.85 -0.35 0.00 2.07 -0.78 -1.33 116.25 117.08 1kkk h VAL 71 Ca 0.05 -0.03 -0.15 0.00 0.82 0.00 0.00 66.70 67.38 1kkk h VAL 71 Cb 0.81 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1kkk h VAL 71 CO 0.06 0.01 -0.39 0.44 0.02 0.00 0.00 177.57 177.72 1kkk h ASP 72 N 0.08 0.90 -0.72 0.57 3.32 -1.43 -0.63 116.42 118.51 1kkk h ASP 72 Ca 0.11 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1kkk h ASP 72 Cb 0.13 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 1kkk h ASP 72 CO -0.17 1.17 0.34 0.00 -1.72 0.00 0.00 179.24 178.86 1kkk h ALA 73 N 0.87 0.93 0.01 3.45 0.00 -1.10 0.63 119.26 124.04 1kkk h ALA 73 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kkk h ALA 73 Cb 0.96 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1kkk h ALA 73 CO 0.09 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 181.08 1kkk h HIS 74 N 1.01 -0.02 -0.15 0.00 -0.00 -1.16 -2.33 115.15 112.50 1kkk h HIS 74 Ca 0.25 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.60 1kkk h HIS 74 Cb 0.13 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1kkk h HIS 74 CO 0.01 0.34 0.03 -0.92 -0.00 0.00 0.00 177.93 177.39 1kkk h TYR 75 N -0.38 0.26 0.00 5.26 5.03 -1.00 -2.82 116.97 123.33 1kkk h TYR 75 Ca -0.00 -0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.21 1kkk h TYR 75 Cb 0.36 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1kkk h TYR 75 CO 0.05 0.41 -0.32 1.88 -1.32 0.00 0.00 178.16 178.86 1kkk h TYR 76 N 0.03 0.00 -0.41 -3.82 0.05 -0.96 -1.68 116.97 110.19 1kkk h TYR 76 Ca 0.05 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 1kkk h TYR 76 Cb 0.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.01 1kkk h TYR 76 CO 0.01 0.32 -0.12 0.00 -1.05 0.00 0.00 178.16 177.32 1kkk h ALA 77 N 1.68 1.02 -0.40 3.88 0.00 -1.34 -1.21 119.26 122.88 1kkk h ALA 77 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1kkk h ALA 77 Cb 0.72 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1kkk h ALA 77 CO 0.04 0.59 0.01 0.78 0.00 0.00 0.00 179.25 180.67 1kkk h GLY 78 N 0.97 0.76 1.01 0.00 0.00 -1.08 -1.03 103.07 103.70 1kkk h GLY 78 Ca 0.11 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1kkk h GLY 78 CO 0.04 0.51 0.35 -2.08 0.00 0.00 0.00 176.54 175.35 1kkk h VAL 79 N 0.54 1.22 -0.69 4.60 2.07 -1.11 -0.86 116.25 122.03 1kkk h VAL 79 Ca 0.12 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 1kkk h VAL 79 Cb 0.46 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1kkk h VAL 79 CO 0.02 0.26 0.12 0.74 0.02 0.00 0.00 177.57 178.73 1kkk h THR 80 N 0.95 1.26 -0.56 2.57 2.02 -1.08 -0.73 112.91 117.35 1kkk h THR 80 Ca 0.24 -1.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1kkk h THR 80 Cb 0.09 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1kkk h THR 80 CO -0.03 0.39 0.32 0.22 0.37 0.00 0.00 175.52 176.79 1kkk h TYR 81 N 1.06 0.75 -0.72 3.16 5.03 -0.78 -2.25 116.97 123.22 1kkk h TYR 81 Ca 0.21 -0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 1kkk h TYR 81 Cb 0.43 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 1kkk h TYR 81 CO 0.03 0.54 0.44 -0.44 -1.32 0.00 0.00 178.16 177.41 1kkk h ASP 82 N 0.75 0.86 0.24 -2.11 3.32 -0.70 -1.47 116.42 117.31 1kkk h ASP 82 Ca 0.20 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1kkk h ASP 82 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1kkk h ASP 82 CO -0.03 0.67 -0.24 0.22 -1.72 0.00 0.00 179.24 178.13 1kkk h TYR 83 N 0.98 -0.64 -0.51 4.55 3.20 -0.79 0.20 116.97 123.96 1kkk h TYR 83 Ca 0.26 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1kkk h TYR 83 Cb -0.04 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1kkk h TYR 83 CO -0.01 -0.35 0.25 1.88 -1.64 0.00 0.00 178.16 178.28 1kkk h TYR 84 N -0.52 0.70 -0.01 -3.82 0.05 -1.25 0.11 116.97 112.24 1kkk h TYR 84 Ca -0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1kkk h TYR 84 Cb 0.48 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1kkk h TYR 84 CO -0.16 0.52 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.14 1kkk h LYS 85 N 0.72 0.09 -0.05 4.88 3.64 -0.98 -0.10 116.57 124.77 1kkk h LYS 85 Ca 0.18 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.27 1kkk h LYS 85 Cb 0.07 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1kkk h LYS 85 CO -0.02 0.80 -0.83 -0.91 -2.27 0.00 0.00 179.45 176.22 1kkk h ASN 86 N -0.59 0.55 0.17 4.20 2.35 -0.55 -1.98 115.58 119.73 1kkk h ASN 86 Ca -0.01 -0.40 -0.36 0.00 -0.55 0.00 0.00 56.30 54.99 1kkk h ASN 86 Cb 0.84 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 1kkk h ASN 86 CO 0.02 1.17 -2.03 0.52 -1.65 0.00 0.00 177.43 175.46 1kkk n VAL 87 N -3.81 1.70 0.19 2.81 0.31 0.02 -4.56 118.33 114.98 1kkk n VAL 87 Ca -0.06 -0.68 0.03 0.00 -0.01 0.00 0.00 64.34 63.63 1kkk n VAL 87 Cb 0.77 -1.51 0.04 0.00 -0.91 0.00 0.00 33.84 32.22 1kkk n VAL 87 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1kkk n HIS 88 N -3.34 0.05 -3.74 3.52 8.25 -0.95 -5.00 115.22 114.02 1kkk n HIS 88 Ca -0.31 -0.10 -0.27 0.00 -0.26 0.00 0.00 57.72 56.78 1kkk n HIS 88 Cb 1.05 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 32.20 1kkk n HIS 88 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1kkk n ASN 89 N 0.30 -5.53 -4.40 0.41 5.15 -0.72 -4.95 115.26 105.52 1kkk n ASN 89 Ca 0.04 -0.65 -0.34 0.00 -0.60 0.00 0.00 54.58 53.03 1kkk n ASN 89 Cb 0.20 -4.38 -0.14 0.00 -0.53 0.00 0.00 39.78 34.93 1kkk n ASN 89 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1kkk s ARG 90 N -6.46 3.48 -0.57 1.20 3.52 -0.13 -4.95 118.95 115.04 1kkk s ARG 90 Ca 0.62 -0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 55.41 1kkk s ARG 90 Cb -0.30 -2.80 0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1kkk s ARG 90 CO 0.76 0.15 0.72 -0.51 -0.81 0.00 0.00 175.30 175.61 1kkk s LEU 91 N 0.56 5.12 0.00 -0.88 1.43 -1.26 -2.65 118.68 121.00 1kkk s LEU 91 Ca -0.06 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.84 1kkk s LEU 91 Cb -0.15 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1kkk s LEU 91 CO 0.03 -1.09 0.00 -0.24 0.23 0.00 0.00 176.35 175.28 1kkk n SER 92 N 6.48 -5.87 0.20 2.29 2.88 -1.26 -1.24 113.62 117.10 1kkk n SER 92 Ca -0.08 0.50 0.06 0.00 -1.33 0.00 0.00 58.87 58.03 1kkk n SER 92 Cb 0.44 -1.42 0.39 0.00 -0.75 0.00 0.00 64.21 62.86 1kkk n SER 92 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1kkk h TYR 93 N -0.43 0.00 -0.02 0.66 -0.00 -1.92 -3.07 116.97 112.18 1kkk h TYR 93 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1kkk h TYR 93 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.16 1kkk h TYR 93 CO 0.00 0.35 -0.17 -0.40 -0.00 0.00 0.00 178.16 177.94 1kkk n ASP 94 N -3.64 2.30 0.00 0.10 5.75 -1.26 -4.39 116.55 115.41 1kkk n ASP 94 Ca -0.01 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1kkk n ASP 94 Cb 0.46 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1kkk n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kkk n GLY 95 N 1.35 0.90 1.27 6.12 0.00 -0.76 -4.86 105.19 109.20 1kkk n GLY 95 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 1kkk n GLY 95 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kkk n ASN 96 N 0.00 1.77 -2.80 1.61 5.15 -0.86 -4.33 115.26 115.80 1kkk n ASN 96 Ca 0.00 -3.03 -0.21 0.00 -0.60 0.00 0.00 54.58 50.74 1kkk n ASN 96 Cb 0.00 -0.42 0.03 0.00 -0.53 0.00 0.00 39.78 38.86 1kkk n ASN 96 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1kkk n ASN 97 N -0.44 -5.83 -4.73 1.20 5.03 -0.37 -4.92 115.26 105.19 1kkk n ASN 97 Ca 0.16 -0.26 -0.41 0.00 0.87 0.00 0.00 54.58 54.93 1kkk n ASN 97 Cb 0.90 -4.66 0.00 0.00 -1.02 0.00 0.00 39.78 35.00 1kkk n ASN 97 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1kkk n ALA 98 N -3.40 1.77 -1.78 5.41 0.00 -1.26 -1.91 120.51 119.33 1kkk n ALA 98 Ca -0.11 0.32 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1kkk n ALA 98 Cb 0.61 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 1kkk n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kkk s ALA 99 N -1.14 3.56 -0.24 0.00 0.00 -1.26 -4.63 121.76 118.06 1kkk s ALA 99 Ca 0.56 1.48 -0.09 0.00 0.00 0.00 0.00 51.96 53.92 1kkk s ALA 99 Cb -0.51 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.00 1kkk s ALA 99 CO 0.61 -0.93 0.11 0.42 0.00 0.00 0.00 175.76 175.97 1kkk s ILE 100 N -1.07 4.83 -0.04 0.00 1.01 -0.39 -5.01 121.20 120.53 1kkk s ILE 100 Ca 0.52 -0.00 0.07 0.00 0.00 0.00 0.00 60.65 61.24 1kkk s ILE 100 Cb -0.45 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 1kkk s ILE 100 CO 0.59 0.35 -0.25 -0.13 0.00 0.00 0.00 174.94 175.51 1kkk s ARG 101 N 1.24 2.26 0.01 2.79 0.52 -1.26 -0.25 118.95 124.26 1kkk s ARG 101 Ca 0.06 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 1kkk s ARG 101 Cb -0.14 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.29 1kkk s ARG 101 CO 0.05 0.44 -0.07 -1.12 0.02 0.00 0.00 175.30 174.62 1kkk s SER 102 N -0.34 0.84 -0.06 0.23 0.01 -0.47 -1.09 113.70 112.81 1kkk s SER 102 Ca 0.02 -0.24 0.05 0.00 1.31 0.00 0.00 55.95 57.10 1kkk s SER 102 Cb -0.12 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 1kkk s SER 102 CO 0.01 0.01 -0.23 -0.44 0.41 0.00 0.00 173.24 173.00 1kkk s SER 103 N -0.55 2.87 0.45 2.44 0.01 -0.42 0.33 113.70 118.83 1kkk s SER 103 Ca -0.00 -0.49 0.06 0.00 1.31 0.00 0.00 55.95 56.83 1kkk s SER 103 Cb -0.05 -0.90 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 1kkk s SER 103 CO 0.00 0.21 0.13 0.68 0.41 0.00 0.00 173.24 174.66 1kkk s VAL 104 N -0.01 1.90 -1.39 3.43 -7.23 -0.53 -1.09 120.40 115.49 1kkk s VAL 104 Ca -0.07 -1.81 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1kkk s VAL 104 Cb -0.14 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.10 1kkk s VAL 104 CO 0.04 0.00 1.13 1.41 -0.31 0.00 0.00 175.10 177.37 1kkk n HIS 105 N -1.24 -2.78 -2.60 2.82 8.25 -1.15 -1.11 115.22 117.40 1kkk n HIS 105 Ca -0.06 0.97 -0.43 0.00 -0.26 0.00 0.00 57.72 57.95 1kkk n HIS 105 Cb 0.66 -4.91 -0.02 0.00 1.12 0.00 0.00 29.99 26.83 1kkk n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1kkk s TYR 106 N -3.31 3.37 0.00 4.41 5.04 -1.01 -0.12 117.35 125.73 1kkk s TYR 106 Ca 0.58 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.65 1kkk s TYR 106 Cb -0.26 -3.28 0.00 0.00 0.35 0.00 0.00 41.96 38.77 1kkk s TYR 106 CO 0.71 -0.64 0.00 0.45 -1.34 0.00 0.00 175.55 174.73 1kkk n SER 107 N 5.29 -3.16 -4.10 4.32 2.88 -0.32 -4.36 113.62 114.17 1kkk n SER 107 Ca 0.10 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.36 1kkk n SER 107 Cb 0.47 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.77 1kkk n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1kkk s GLN 108 N 0.00 2.28 -1.42 -1.46 -0.21 -1.26 -4.27 119.66 113.33 1kkk s GLN 108 Ca 0.00 -0.61 -0.08 0.00 0.02 0.00 0.00 55.36 54.70 1kkk s GLN 108 Cb 0.00 -1.83 0.04 0.00 1.00 0.00 0.00 33.01 32.22 1kkk s GLN 108 CO 0.00 0.05 0.60 0.41 -2.12 0.00 0.00 175.29 174.23 1kkk n GLY 109 N 3.83 -0.50 3.62 3.09 0.00 -1.26 -4.92 105.19 109.05 1kkk n GLY 109 Ca -0.21 0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1kkk n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kkk s TYR 110 N -3.07 3.13 -1.09 1.61 5.04 -1.26 -4.12 117.35 117.59 1kkk s TYR 110 Ca 0.39 0.95 -0.04 0.00 -2.44 0.00 0.00 57.07 55.93 1kkk s TYR 110 Cb -0.19 -3.60 0.18 0.00 0.35 0.00 0.00 41.96 38.70 1kkk s TYR 110 CO 0.48 -0.76 2.28 0.09 -1.34 0.00 0.00 175.55 176.30 1kkk n ASN 111 N 6.73 7.61 -3.51 4.32 3.02 -1.26 -0.95 115.26 131.22 1kkk n ASN 111 Ca 0.09 -3.33 -0.10 0.00 -0.03 0.00 0.00 54.58 51.20 1kkk n ASN 111 Cb 0.48 -1.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.35 1kkk n ASN 111 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1kkk s ASN 112 N -0.15 -0.46 0.01 6.41 2.47 -1.26 -5.03 114.94 116.93 1kkk s ASN 112 Ca 0.51 -0.09 -0.03 0.00 0.42 0.00 0.00 52.86 53.67 1kkk s ASN 112 Cb 0.23 0.55 -0.01 0.00 -1.45 0.00 0.00 41.25 40.57 1kkk s ASN 112 CO -0.14 -0.91 0.05 0.00 -3.72 0.00 0.00 177.10 172.37 1kkk s ALA 113 N -3.57 -0.09 0.17 1.71 0.00 -1.26 -1.40 121.76 117.32 1kkk s ALA 113 Ca 0.04 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 51.43 1kkk s ALA 113 Cb -0.02 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1kkk s ALA 113 CO -0.09 -0.17 0.79 -0.59 0.00 0.00 0.00 175.76 175.70 1kkk s PHE 114 N -1.29 -0.27 -0.22 0.00 -0.71 -0.28 -4.99 117.98 110.22 1kkk s PHE 114 Ca -0.14 -0.04 -0.05 0.00 -1.04 0.00 0.00 56.93 55.66 1kkk s PHE 114 Cb -0.08 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1kkk s PHE 114 CO 0.00 -0.93 0.00 -0.46 -1.34 0.00 0.00 175.22 172.50 1kkk s TRP 115 N -3.57 3.02 -0.81 3.49 -0.11 -1.26 -0.32 118.94 119.38 1kkk s TRP 115 Ca 0.08 -0.60 0.13 0.00 1.22 0.00 0.00 56.10 56.93 1kkk s TRP 115 Cb -0.03 -2.13 0.64 0.00 -1.50 0.00 0.00 33.47 30.45 1kkk s TRP 115 CO -0.01 -0.37 1.51 0.27 -4.62 0.00 0.00 176.95 173.73 1kkk n ASN 116 N 4.59 4.46 0.00 5.86 6.94 -0.54 -4.88 115.26 131.70 1kkk n ASN 116 Ca -0.17 -2.56 0.00 0.00 -0.02 0.00 0.00 54.58 51.83 1kkk n ASN 116 Cb 0.51 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.34 1kkk n ASN 116 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kkk n GLY 117 N 0.77 2.05 0.00 4.83 0.00 -1.26 -4.75 105.19 106.83 1kkk n GLY 117 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1kkk n GLY 117 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kkk n SER 118 N 0.00 0.90 -3.71 1.61 7.64 -1.26 -5.14 113.62 113.66 1kkk n SER 118 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1kkk n SER 118 Cb 0.00 0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1kkk n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1kkk s GLN 119 N -0.70 1.83 0.07 1.43 -2.07 -1.26 -4.75 119.66 114.21 1kkk s GLN 119 Ca 0.00 -1.12 -0.05 0.00 -1.82 0.00 0.00 55.36 52.37 1kkk s GLN 119 Cb 0.00 0.59 -0.05 0.00 -1.09 0.00 0.00 33.01 32.46 1kkk s GLN 119 CO 0.00 -0.83 0.31 -1.64 -1.32 0.00 0.00 175.29 171.80 1kkk s MET 120 N -3.65 3.58 -0.03 9.60 -1.94 -0.25 -1.46 119.30 125.16 1kkk s MET 120 Ca 0.14 -0.12 0.02 0.00 -1.71 0.00 0.00 55.69 54.01 1kkk s MET 120 Cb -0.05 -2.99 0.01 0.00 2.01 0.00 0.00 34.83 33.81 1kkk s MET 120 CO 0.08 0.57 -0.06 0.08 -0.01 0.00 0.00 175.02 175.69 1kkk s VAL 121 N -1.46 0.54 -0.08 -6.03 1.01 0.56 -1.30 120.40 113.64 1kkk s VAL 121 Ca 0.34 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1kkk s VAL 121 Cb -0.13 -0.51 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1kkk s VAL 121 CO 0.21 0.19 -0.13 -0.31 0.00 0.00 0.00 175.10 175.06 1kkk s TYR 122 N 0.43 1.60 0.73 5.22 2.02 -0.25 -1.13 117.35 125.98 1kkk s TYR 122 Ca -0.06 -0.64 -0.07 0.00 -0.37 0.00 0.00 57.07 55.94 1kkk s TYR 122 Cb -0.09 -1.17 0.08 0.00 -0.40 0.00 0.00 41.96 40.37 1kkk s TYR 122 CO 0.00 -0.33 1.04 0.20 -1.57 0.00 0.00 175.55 174.89 1kkk s GLY 123 N 0.76 1.71 0.00 0.71 0.00 -0.50 -2.41 107.32 107.59 1kkk s GLY 123 Ca -0.12 -1.03 0.23 0.00 0.00 0.00 0.00 44.72 43.80 1kkk s GLY 123 CO 0.03 -0.58 1.20 1.22 0.00 0.00 0.00 173.10 174.97 1kkk n ASP 124 N -2.98 0.80 0.00 1.64 8.00 -1.20 -2.82 116.55 119.98 1kkk n ASP 124 Ca 0.09 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1kkk n ASP 124 Cb 0.60 0.55 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 1kkk n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kkk n GLY 125 N 1.49 -1.89 0.85 0.44 0.00 -0.13 -1.39 105.19 104.57 1kkk n GLY 125 Ca 0.05 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.69 1kkk n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kkk n ASP 126 N -2.40 2.63 0.00 1.61 5.68 -1.13 -4.02 116.55 118.93 1kkk n ASP 126 Ca 0.00 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 1kkk n ASP 126 Cb 0.00 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1kkk n ASP 126 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1kkk n GLY 127 N 1.32 2.09 0.64 6.12 0.00 0.02 -4.79 105.19 110.59 1kkk n GLY 127 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1kkk n GLY 127 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kkk n GLN 128 N -2.00 0.23 0.10 1.61 1.13 -1.26 -4.77 117.38 112.42 1kkk n GLN 128 Ca 0.00 0.10 -0.23 0.00 -1.94 0.00 0.00 57.00 54.93 1kkk n GLN 128 Cb 0.00 -0.90 -0.15 0.00 0.11 0.00 0.00 30.24 29.30 1kkk n GLN 128 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1kkk h THR 129 N -0.42 1.38 -3.86 5.09 2.02 -1.94 -3.36 112.91 111.81 1kkk h THR 129 Ca -0.10 -2.61 -0.14 0.00 0.77 0.00 0.00 66.41 64.33 1kkk h THR 129 Cb 0.70 3.11 -0.19 0.00 -1.74 0.00 0.00 68.15 70.04 1kkk h THR 129 CO -0.06 0.77 -0.58 -0.36 0.37 0.00 0.00 175.52 175.65 1kkk s PHE 130 N -2.52 0.23 0.48 3.16 0.08 -1.26 -0.05 117.98 118.11 1kkk s PHE 130 Ca -0.12 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.47 1kkk s PHE 130 Cb 0.03 -0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1kkk s PHE 130 CO 0.89 -0.31 0.39 0.96 -0.10 0.00 0.00 175.22 177.04 1kkk s ILE 131 N -2.33 2.11 -0.46 0.64 -4.36 -0.67 -0.80 121.20 115.33 1kkk s ILE 131 Ca -0.07 -1.44 -0.45 0.00 -0.26 0.00 0.00 60.65 58.43 1kkk s ILE 131 Cb -0.03 -2.55 -0.19 0.00 1.25 0.00 0.00 42.46 40.94 1kkk s ILE 131 CO -0.04 0.00 1.74 -2.65 0.24 0.00 0.00 174.94 174.24 1kkk n PRO 132 N -1.65 0.20 0.24 0.37 -0.02 -0.48 -4.42 135.00 129.23 1kkk n PRO 132 Ca 0.01 0.07 0.16 0.00 -2.02 0.00 0.00 63.50 61.72 1kkk n PRO 132 Cb 0.63 -1.62 0.85 0.00 -0.02 0.00 0.00 33.50 33.35 1kkk n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1kkk h LEU 133 N 6.31 0.00 0.00 2.45 4.07 -1.77 -1.75 115.31 124.61 1kkk h LEU 133 Ca -0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.59 1kkk h LEU 133 Cb 1.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.11 1kkk h LEU 133 CO 1.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.82 1kkk n SER 134 N -3.87 0.00 0.00 -0.43 3.41 -1.26 -2.57 113.62 108.90 1kkk n SER 134 Ca -0.00 0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.79 1kkk n SER 134 Cb 0.23 -0.30 0.50 0.00 -0.26 0.00 0.00 64.21 64.37 1kkk n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkk n GLY 135 N 0.20 -1.18 3.45 5.00 0.00 -0.66 -4.27 105.19 107.72 1kkk n GLY 135 Ca 0.08 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1kkk n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kkk s GLY 136 N -2.86 1.77 0.31 -0.02 0.00 -1.06 -4.83 107.32 100.64 1kkk s GLY 136 Ca 0.14 -1.14 0.04 0.00 0.00 0.00 0.00 44.72 43.76 1kkk s GLY 136 CO 0.38 0.55 1.80 1.19 0.00 0.00 0.00 173.10 177.01 1kkk h ILE 137 N 5.55 1.24 0.00 0.90 2.10 -1.89 -1.78 117.51 123.62 1kkk h ILE 137 Ca -0.38 -1.07 -0.06 0.00 1.08 0.00 0.00 64.86 64.43 1kkk h ILE 137 Cb 1.17 1.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.13 1kkk h ILE 137 CO 0.58 0.34 -0.26 -2.24 -1.08 0.00 0.00 178.15 175.49 1kkk h ASP 138 N 0.40 0.00 0.02 2.19 3.04 -1.94 -1.05 116.42 119.09 1kkk h ASP 138 Ca 0.07 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1kkk h ASP 138 Cb 0.53 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.82 1kkk h ASP 138 CO 0.03 0.26 -0.01 0.58 -2.04 0.00 0.00 179.24 178.07 1kkk h VAL 139 N 0.00 1.37 -0.29 4.15 2.07 -1.69 -0.69 116.25 121.17 1kkk h VAL 139 Ca -0.00 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.23 1kkk h VAL 139 Cb 0.73 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1kkk h VAL 139 CO 0.03 0.33 0.18 0.58 0.02 0.00 0.00 177.57 178.71 1kkk h VAL 140 N -0.60 1.05 -0.25 2.57 2.07 -1.22 -1.29 116.25 118.57 1kkk h VAL 140 Ca -0.00 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1kkk h VAL 140 Cb 0.56 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1kkk h VAL 140 CO 0.01 0.07 -0.12 0.00 0.02 0.00 0.00 177.57 177.54 1kkk h ALA 141 N 1.12 1.33 -0.38 1.67 0.00 -1.24 -1.28 119.26 120.48 1kkk h ALA 141 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1kkk h ALA 141 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1kkk h ALA 141 CO -0.04 0.45 0.20 1.25 0.00 0.00 0.00 179.25 181.11 1kkk h HIS 142 N 0.39 0.53 -0.35 0.00 6.17 -0.55 -1.26 115.15 120.07 1kkk h HIS 142 Ca 0.08 -0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.05 1kkk h HIS 142 Cb 0.45 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.20 1kkk h HIS 142 CO 0.01 0.42 -0.15 0.93 0.71 0.00 0.00 177.93 179.85 1kkk h GLU 143 N 0.48 0.72 0.00 5.26 4.39 -0.77 -2.83 114.58 121.83 1kkk h GLU 143 Ca 0.13 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.46 1kkk h GLU 143 Cb 0.07 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1kkk h GLU 143 CO -0.02 0.91 -0.32 1.25 -1.16 0.00 0.00 179.01 179.67 1kkk h LEU 144 N 0.50 0.00 -1.24 1.33 5.85 -1.17 -1.95 115.31 118.63 1kkk h LEU 144 Ca 0.08 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1kkk h LEU 144 Cb 0.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1kkk h LEU 144 CO 0.05 0.32 -0.32 0.74 -0.34 0.00 0.00 178.44 178.89 1kkk h THR 145 N 0.00 0.92 -0.52 1.05 2.02 -1.05 -1.70 112.91 113.63 1kkk h THR 145 Ca -0.00 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 65.90 1kkk h THR 145 Cb 0.59 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.71 1kkk h THR 145 CO 0.04 0.31 0.17 0.45 0.37 0.00 0.00 175.52 176.86 1kkk h HIS 146 N 0.00 0.79 -0.53 3.16 3.86 -1.11 -0.16 115.15 121.15 1kkk h HIS 146 Ca -0.00 -0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.06 1kkk h HIS 146 Cb 0.71 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 1kkk h HIS 146 CO 0.00 0.64 -0.02 0.00 0.86 0.00 0.00 177.93 179.41 1kkk h ALA 147 N 1.43 0.72 -0.39 2.45 0.00 -1.31 -0.90 119.26 121.25 1kkk h ALA 147 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1kkk h ALA 147 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1kkk h ALA 147 CO -0.01 0.56 0.21 0.28 0.00 0.00 0.00 179.25 180.29 1kkk h VAL 148 N 0.83 1.15 -0.56 0.00 2.07 -0.93 -2.28 116.25 116.53 1kkk h VAL 148 Ca 0.15 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1kkk h VAL 148 Cb 0.56 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1kkk h VAL 148 CO 0.03 0.16 0.32 0.74 0.02 0.00 0.00 177.57 178.84 1kkk h THR 149 N 0.50 1.18 -0.64 2.57 2.02 -0.86 -2.03 112.91 115.65 1kkk h THR 149 Ca 0.14 -0.43 0.06 0.00 0.77 0.00 0.00 66.41 66.94 1kkk h THR 149 Cb 0.07 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.89 1kkk h THR 149 CO -0.02 0.19 0.42 0.44 0.37 0.00 0.00 175.52 176.92 1kkk h ASP 150 N 0.75 0.58 0.41 4.18 5.19 -0.88 0.14 116.42 126.79 1kkk h ASP 150 Ca 0.20 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1kkk h ASP 150 Cb 0.02 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.40 1kkk h ASP 150 CO -0.03 0.38 -0.26 -1.22 -3.12 0.00 0.00 179.24 174.99 1kkk n TYR 151 N -4.47 0.00 0.00 4.55 4.02 -0.88 -4.25 117.16 116.12 1kkk n TYR 151 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1kkk n TYR 151 Cb 0.21 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1kkk n TYR 151 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1kkk n THR 152 N -1.04 0.00 -0.25 -0.72 -2.24 -0.69 -4.91 114.28 104.44 1kkk n THR 152 Ca 0.10 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 1kkk n THR 152 Cb 0.32 -0.01 0.28 0.00 -2.10 0.00 0.00 70.33 68.83 1kkk n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkk h ALA 153 N 0.54 1.58 -1.41 6.98 0.00 -1.52 -3.47 119.26 121.96 1kkk h ALA 153 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1kkk h ALA 153 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1kkk h ALA 153 CO 0.00 0.31 -0.26 0.41 0.00 0.00 0.00 179.25 179.70 1kkk n GLY 154 N -1.42 0.05 3.68 0.00 0.00 0.41 -2.21 105.19 105.70 1kkk n GLY 154 Ca 0.12 -0.45 -0.54 0.00 0.00 0.00 0.00 46.02 45.14 1kkk n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kkk n LEU 155 N -1.48 2.53 -4.77 0.99 4.77 -1.26 -4.29 117.00 113.49 1kkk n LEU 155 Ca -0.12 1.06 -0.41 0.00 -0.03 0.00 0.00 56.01 56.51 1kkk n LEU 155 Cb 0.57 -1.21 -0.01 0.00 -2.33 0.00 0.00 43.42 40.43 1kkk n LEU 155 CO 0.15 -0.45 1.05 -0.63 -1.33 0.00 0.00 177.39 176.18 1kkk s ILE 156 N 2.98 2.45 -1.43 -0.08 1.01 -0.24 -4.84 121.20 121.06 1kkk s ILE 156 Ca 0.94 0.45 -0.09 0.00 0.00 0.00 0.00 60.65 61.95 1kkk s ILE 156 Cb -0.95 -3.28 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 1kkk s ILE 156 CO 0.58 0.10 2.91 0.00 0.00 0.00 0.00 174.94 178.53 1kkk n TYR 157 N 0.87 2.25 -3.61 3.97 9.36 -1.26 -1.75 117.16 126.98 1kkk n TYR 157 Ca 0.01 -2.91 -0.16 0.00 3.32 0.00 0.00 57.90 58.17 1kkk n TYR 157 Cb 0.41 -2.29 -0.07 0.00 -0.63 0.00 0.00 39.34 36.75 1kkk n TYR 157 CO 0.00 0.00 0.00 -1.14 0.22 0.00 0.00 176.86 175.94 1kkk s GLN 158 N 1.42 0.89 2.71 2.98 0.74 -1.26 -4.82 119.66 122.30 1kkk s GLN 158 Ca 0.67 0.30 0.00 0.00 0.05 0.00 0.00 55.36 56.37 1kkk s GLN 158 Cb 0.20 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.72 1kkk s GLN 158 CO -0.06 -0.24 0.00 0.09 -0.55 0.00 0.00 175.29 174.53 1kkk n ASN 159 N 1.44 0.00 -0.19 6.67 3.02 -0.31 -1.43 115.26 124.45 1kkk n ASN 159 Ca -0.18 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.33 1kkk n ASN 159 Cb 0.56 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.88 1kkk n ASN 159 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1kkk h GLU 160 N 0.00 0.97 -0.43 3.52 5.08 -1.90 -1.34 114.58 120.48 1kkk h GLU 160 Ca 0.00 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1kkk h GLU 160 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1kkk h GLU 160 CO 0.00 0.83 0.04 0.66 -1.00 0.00 0.00 179.01 179.53 1kkk h SER 161 N 0.94 0.63 -0.15 1.42 4.64 -1.55 -1.47 113.55 118.01 1kkk h SER 161 Ca 0.21 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.28 1kkk h SER 161 Cb 0.26 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1kkk h SER 161 CO -0.01 0.67 -0.34 1.23 -0.87 0.00 0.00 176.83 177.51 1kkk h GLY 162 N 0.91 0.71 1.42 -0.77 0.00 -0.39 -1.07 103.07 103.87 1kkk h GLY 162 Ca 0.14 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1kkk h GLY 162 CO 0.01 0.61 -0.14 0.00 0.00 0.00 0.00 176.54 177.02 1kkk h ALA 163 N 1.07 1.04 -0.37 3.60 0.00 -0.77 -0.74 119.26 123.09 1kkk h ALA 163 Ca 0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1kkk h ALA 163 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1kkk h ALA 163 CO 0.07 0.58 -0.06 0.82 0.00 0.00 0.00 179.25 180.66 1kkk h ILE 164 N 0.63 1.27 -0.35 0.00 2.04 -1.04 -0.27 117.51 119.79 1kkk h ILE 164 Ca 0.10 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1kkk h ILE 164 Cb 0.59 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 1kkk h ILE 164 CO 0.04 0.37 -0.03 -1.13 0.00 0.00 0.00 178.15 177.40 1kkk h ASN 165 N 0.51 -0.20 -0.32 1.72 -0.73 -0.79 0.64 115.58 116.40 1kkk h ASN 165 Ca 0.10 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 1kkk h ASN 165 Cb 0.56 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 1kkk h ASN 165 CO 0.03 -0.06 0.17 -0.33 -0.37 0.00 0.00 177.43 176.87 1kkk h GLU 166 N 0.06 0.45 -0.86 6.67 4.39 -0.92 -2.63 114.58 121.74 1kkk h GLU 166 Ca 0.17 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 1kkk h GLU 166 Cb 0.24 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 1kkk h GLU 166 CO -0.31 0.39 0.51 0.00 -1.16 0.00 0.00 179.01 178.44 1kkk h ALA 167 N 1.04 1.10 -0.87 3.43 0.00 -0.51 -1.50 119.26 121.94 1kkk h ALA 167 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1kkk h ALA 167 Cb 0.07 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1kkk h ALA 167 CO -0.02 0.57 0.56 0.82 0.00 0.00 0.00 179.25 181.19 1kkk h ILE 168 N 1.19 1.16 -0.30 0.00 1.08 -0.69 0.24 117.51 120.20 1kkk h ILE 168 Ca 0.31 -0.38 -0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1kkk h ILE 168 Cb -0.03 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.66 1kkk h ILE 168 CO -0.06 0.20 -0.21 0.28 -0.69 0.00 0.00 178.15 177.68 1kkk h SER 169 N 1.11 0.55 -0.21 1.72 0.02 -1.05 -1.29 113.55 114.42 1kkk h SER 169 Ca 0.34 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 60.91 1kkk h SER 169 Cb -0.03 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.36 1kkk h SER 169 CO -0.10 0.77 -0.66 0.44 -1.14 0.00 0.00 176.83 176.13 1kkk h ASP 170 N 0.50 0.94 0.43 3.07 3.32 -0.43 -0.60 116.42 123.64 1kkk h ASP 170 Ca 0.08 -0.59 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 1kkk h ASP 170 Cb 0.63 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1kkk h ASP 170 CO 0.04 1.37 -0.21 0.40 -1.72 0.00 0.00 179.24 179.13 1kkk h ILE 171 N 0.57 0.58 0.00 0.35 2.04 -0.37 -0.86 117.51 119.82 1kkk h ILE 171 Ca -0.02 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 1kkk h ILE 171 Cb 1.28 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1kkk h ILE 171 CO 0.14 0.02 -0.37 -0.26 0.00 0.00 0.00 178.15 177.68 1kkk h PHE 172 N -0.64 0.00 -0.70 1.37 0.04 -1.32 -0.72 116.94 114.98 1kkk h PHE 172 Ca -0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 1kkk h PHE 172 Cb 0.48 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1kkk h PHE 172 CO -0.03 0.37 0.26 0.78 -0.60 0.00 0.00 178.31 179.09 1kkk h GLY 173 N 2.07 1.13 1.14 -1.45 0.00 -0.91 -0.64 103.07 104.42 1kkk h GLY 173 Ca -0.00 -0.63 -0.17 0.00 0.00 0.00 0.00 47.33 46.53 1kkk h GLY 173 CO 0.05 0.60 -0.42 -0.84 0.00 0.00 0.00 176.54 175.92 1kkk h THR 174 N 1.00 1.27 -0.14 4.70 2.02 -0.74 -2.23 112.91 118.80 1kkk h THR 174 Ca 0.23 -1.60 -0.07 0.00 0.77 0.00 0.00 66.41 65.74 1kkk h THR 174 Cb 0.24 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1kkk h THR 174 CO -0.02 0.53 -0.22 -0.07 0.37 0.00 0.00 175.52 176.11 1kkk h LEU 175 N 0.75 0.24 -0.50 2.58 3.38 -0.86 -1.45 115.31 119.44 1kkk h LEU 175 Ca 0.05 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1kkk h LEU 175 Cb 1.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1kkk h LEU 175 CO 0.10 0.47 -0.60 0.58 0.09 0.00 0.00 178.44 179.09 1kkk h VAL 176 N 0.22 1.34 -0.85 1.22 2.07 -1.02 -0.65 116.25 118.58 1kkk h VAL 176 Ca 0.04 -1.89 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 1kkk h VAL 176 Cb 0.52 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 1kkk h VAL 176 CO 0.04 0.58 0.43 -0.08 0.02 0.00 0.00 177.57 178.55 1kkk h GLU 177 N 0.37 1.21 -0.27 1.57 4.81 -0.75 -0.83 114.58 120.68 1kkk h GLU 177 Ca -0.00 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 58.91 1kkk h GLU 177 Cb 1.14 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 1kkk h GLU 177 CO 0.11 0.92 -0.43 0.74 -0.73 0.00 0.00 179.01 179.61 1kkk h PHE 178 N 1.20 0.81 -0.53 0.92 0.04 -1.10 -1.94 116.94 116.35 1kkk h PHE 178 Ca 0.29 -0.25 0.02 0.00 2.80 0.00 0.00 57.97 60.84 1kkk h PHE 178 Cb 0.09 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 1kkk h PHE 178 CO 0.01 0.99 0.32 -0.92 -0.60 0.00 0.00 178.31 178.11 1kkk h TYR 179 N 0.55 0.60 0.00 -0.55 3.20 -0.47 -1.39 116.97 118.91 1kkk h TYR 179 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1kkk h TYR 179 Cb 0.97 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.05 1kkk h TYR 179 CO 0.05 0.35 0.00 0.00 -1.64 0.00 0.00 178.16 176.91 1kkk n ALA 180 N -2.28 2.19 -3.86 1.82 0.00 -0.38 -4.92 120.51 113.08 1kkk n ALA 180 Ca 0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.13 1kkk n ALA 180 Cb 0.07 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.12 1kkk n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kkk n ASN 181 N -1.70 -4.02 -4.34 0.00 2.85 -0.53 -4.92 115.26 102.60 1kkk n ASN 181 Ca 0.06 -0.79 -0.46 0.00 -0.11 0.00 0.00 54.58 53.28 1kkk n ASN 181 Cb 0.33 -3.94 -0.01 0.00 1.24 0.00 0.00 39.78 37.39 1kkk n ASN 181 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1kkk s LYS 182 N -6.48 3.79 -1.20 1.20 2.20 -1.13 -4.68 119.74 113.44 1kkk s LYS 182 Ca 0.51 -2.66 -0.32 0.00 -0.36 0.00 0.00 55.97 53.14 1kkk s LYS 182 Cb -0.26 -4.50 0.04 0.00 -1.51 0.00 0.00 37.83 31.61 1kkk s LYS 182 CO 0.82 -1.30 0.61 0.09 -0.36 0.00 0.00 175.35 175.21 1kkk n ASN 183 N 3.74 -3.60 -4.76 1.43 3.02 -1.26 -4.82 115.26 109.00 1kkk n ASN 183 Ca 0.18 -1.27 -0.38 0.00 -0.03 0.00 0.00 54.58 53.07 1kkk n ASN 183 Cb 0.45 -1.53 0.01 0.00 -0.61 0.00 0.00 39.78 38.10 1kkk n ASN 183 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1kkk s PRO 184 N -7.43 3.55 0.40 3.52 0.04 -1.26 -5.04 135.00 128.78 1kkk s PRO 184 Ca 0.45 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 1kkk s PRO 184 Cb -0.25 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 31.92 1kkk s PRO 184 CO 0.95 -0.81 0.76 -0.40 0.04 0.00 0.00 177.00 177.54 1kkk n ASP 185 N -0.58 -2.21 -1.57 6.66 5.68 -1.26 -5.04 116.55 118.23 1kkk n ASP 185 Ca 0.08 -2.65 -0.11 0.00 -0.50 0.00 0.00 54.79 51.61 1kkk n ASP 185 Cb 0.46 3.72 0.20 0.00 -1.14 0.00 0.00 41.12 44.36 1kkk n ASP 185 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1kkk n TRP 186 N -0.55 1.85 -4.11 2.11 7.02 -1.26 -4.94 117.44 117.56 1kkk n TRP 186 Ca -0.08 -1.63 -0.24 0.00 -1.02 0.00 0.00 57.50 54.53 1kkk n TRP 186 Cb 0.60 -0.65 -0.05 0.00 -2.42 0.00 0.00 31.31 28.79 1kkk n TRP 186 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1kkk s GLU 187 N -3.23 2.87 -0.17 -0.99 0.41 -1.26 -0.76 118.70 115.57 1kkk s GLU 187 Ca 0.49 -1.01 -0.00 0.00 -0.41 0.00 0.00 54.97 54.05 1kkk s GLU 187 Cb 0.43 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1kkk s GLU 187 CO 0.05 0.43 -0.15 0.42 -0.49 0.00 0.00 175.26 175.52 1kkk s ILE 188 N -1.99 2.57 -0.06 -1.63 -1.09 0.16 -4.71 121.20 114.45 1kkk s ILE 188 Ca 0.32 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1kkk s ILE 188 Cb -0.09 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 1kkk s ILE 188 CO 0.24 0.51 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 1kkk n GLY 189 N 4.36 0.47 0.35 6.18 0.00 -1.26 -1.56 105.19 113.73 1kkk n GLY 189 Ca -0.20 -0.19 0.17 0.00 0.00 0.00 0.00 46.02 45.80 1kkk n GLY 189 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1kkk h GLU 190 N 0.70 0.06 0.00 1.61 9.09 -1.84 -1.79 114.58 122.40 1kkk h GLU 190 Ca -0.01 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 1kkk h GLU 190 Cb 0.14 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.22 1kkk h GLU 190 CO 0.02 0.04 -0.16 -0.44 0.05 0.00 0.00 179.01 178.52 1kkk h ASP 191 N 0.06 0.00 -0.00 3.06 3.32 -1.92 -3.32 116.42 117.63 1kkk h ASP 191 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1kkk h ASP 191 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1kkk h ASP 191 CO -0.01 0.16 -0.00 1.33 -1.72 0.00 0.00 179.24 178.99 1kkk n VAL 192 N -3.24 0.00 -3.35 -1.35 0.24 -0.90 -4.90 118.33 104.84 1kkk n VAL 192 Ca 0.01 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.43 1kkk n VAL 192 Cb 0.46 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.78 1kkk n VAL 192 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1kkk s TYR 193 N -0.12 3.64 -0.37 6.34 5.04 -0.72 -1.66 117.35 129.49 1kkk s TYR 193 Ca 0.00 1.02 -0.31 0.00 -2.44 0.00 0.00 57.07 55.35 1kkk s TYR 193 Cb 0.00 -2.47 0.05 0.00 0.35 0.00 0.00 41.96 39.89 1kkk s TYR 193 CO 0.01 0.40 0.54 0.25 -1.34 0.00 0.00 175.55 175.40 1kkk n THR 194 N 2.70 -3.06 0.32 4.34 -2.24 0.92 -4.81 114.28 112.46 1kkk n THR 194 Ca -0.10 0.05 0.20 0.00 -2.27 0.00 0.00 64.05 61.94 1kkk n THR 194 Cb 0.52 -2.79 1.11 0.00 -2.10 0.00 0.00 70.33 67.06 1kkk n THR 194 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1kkk h PRO 195 N 1.62 0.00 -0.01 -0.78 0.13 -1.83 -0.93 132.00 130.21 1kkk h PRO 195 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1kkk h PRO 195 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1kkk h PRO 195 CO 0.19 0.00 -0.11 0.41 -0.23 0.00 0.00 178.00 178.25 1kkk n GLY 196 N -1.16 -0.75 2.94 1.56 0.00 -1.26 -4.75 105.19 101.76 1kkk n GLY 196 Ca -0.03 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1kkk n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkk s ILE 197 N -2.38 1.04 0.16 -0.61 1.01 -0.35 -5.14 121.20 114.94 1kkk s ILE 197 Ca 0.31 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 1kkk s ILE 197 Cb 0.20 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.59 1kkk s ILE 197 CO 0.46 0.36 0.38 -0.44 0.00 0.00 0.00 174.94 175.70 1kkk s SER 198 N 1.41 6.45 0.00 3.58 0.01 -1.26 -4.43 113.70 119.47 1kkk s SER 198 Ca -0.01 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.79 1kkk s SER 198 Cb -0.13 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1kkk s SER 198 CO -0.05 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1kkk n GLY 199 N -0.17 1.08 3.91 3.44 0.00 -1.26 -5.05 105.19 107.14 1kkk n GLY 199 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1kkk n GLY 199 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1kkk n ASP 200 N 0.00 2.68 -3.40 1.61 5.75 -1.26 -5.15 116.55 116.79 1kkk n ASP 200 Ca 0.00 -2.87 -0.07 0.00 -0.01 0.00 0.00 54.79 51.84 1kkk n ASP 200 Cb 0.00 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1kkk n ASP 200 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1kkk s SER 201 N -4.37 -0.10 -0.01 -1.12 1.04 -1.26 -4.56 113.70 103.32 1kkk s SER 201 Ca 0.37 -0.81 -0.20 0.00 0.48 0.00 0.00 55.95 55.79 1kkk s SER 201 Cb -0.03 0.71 -0.29 0.00 0.10 0.00 0.00 66.02 66.52 1kkk s SER 201 CO 0.24 -1.38 1.00 0.25 0.98 0.00 0.00 173.24 174.33 1kkk h LEU 202 N 2.00 0.55 -8.22 2.42 5.85 -1.56 -3.47 115.31 112.89 1kkk h LEU 202 Ca -0.26 -0.87 -0.14 0.00 0.84 0.00 0.00 57.88 57.45 1kkk h LEU 202 Cb 1.24 -0.18 -0.16 0.00 0.37 0.00 0.00 40.66 41.94 1kkk h LEU 202 CO 0.32 1.37 -0.69 -0.13 -0.34 0.00 0.00 178.44 178.98 1kkk s ARG 203 N -2.78 0.58 -0.06 1.25 0.52 -1.19 -4.97 118.95 112.30 1kkk s ARG 203 Ca -0.13 -1.12 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1kkk s ARG 203 Cb 0.02 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.65 1kkk s ARG 203 CO 0.84 -0.09 -0.12 0.45 0.02 0.00 0.00 175.30 176.41 1kkk s SER 204 N -2.67 1.72 -0.02 0.23 0.15 -1.26 -0.66 113.70 111.18 1kkk s SER 204 Ca 0.03 -0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.44 1kkk s SER 204 Cb 0.04 -0.78 -0.25 0.00 -1.71 0.00 0.00 66.02 63.33 1kkk s SER 204 CO -0.08 0.03 0.74 0.24 1.20 0.00 0.00 173.24 175.38 1kkk h MET 205 N 6.93 0.12 -0.26 5.44 0.00 -1.29 -2.62 114.93 123.26 1kkk h MET 205 Ca -0.31 -0.20 -0.14 0.00 0.00 0.00 0.00 59.70 59.04 1kkk h MET 205 Cb 1.18 0.08 -0.01 0.00 0.00 0.00 0.00 31.60 32.85 1kkk h MET 205 CO 0.48 0.86 -0.41 0.66 0.00 0.00 0.00 176.91 178.49 1kkk h SER 206 N 0.03 0.66 -1.80 1.22 4.64 -1.88 -3.33 113.55 113.10 1kkk h SER 206 Ca -0.26 -0.30 -0.41 0.00 -0.47 0.00 0.00 61.79 60.35 1kkk h SER 206 Cb 1.99 -0.18 -0.29 0.00 -0.31 0.00 0.00 62.40 63.61 1kkk h SER 206 CO 0.11 0.99 -0.78 -0.67 -0.87 0.00 0.00 176.83 175.61 1kkk n ASP 207 N -4.03 -1.71 -0.19 4.97 2.03 -1.26 -5.01 116.55 111.35 1kkk n ASP 207 Ca -0.02 -2.60 0.16 0.00 0.52 0.00 0.00 54.79 52.86 1kkk n ASP 207 Cb 0.53 0.40 0.50 0.00 -0.72 0.00 0.00 41.12 41.83 1kkk n ASP 207 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1kkk h PRO 208 N 5.36 0.41 0.00 -0.67 0.11 -1.67 -1.40 132.00 134.14 1kkk h PRO 208 Ca 0.18 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1kkk h PRO 208 Cb 0.99 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1kkk h PRO 208 CO 0.22 0.27 -0.01 0.00 -0.21 0.00 0.00 178.00 178.27 1kkk h ALA 209 N 1.63 1.10 -0.53 -0.75 0.00 -1.77 -2.23 119.26 116.71 1kkk h ALA 209 Ca 0.40 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.43 1kkk h ALA 209 Cb 0.94 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1kkk h ALA 209 CO -0.14 0.02 0.37 -0.22 0.00 0.00 0.00 179.25 179.28 1kkk h LYS 210 N 0.00 0.14 -0.21 0.00 3.64 -1.54 -0.68 116.57 117.92 1kkk h LYS 210 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1kkk h LYS 210 Cb 0.12 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1kkk h LYS 210 CO 0.00 0.09 0.00 0.66 -2.27 0.00 0.00 179.45 177.94 1kkk n TYR 211 N -4.43 0.66 -0.62 1.91 4.01 -0.94 -4.96 117.16 112.80 1kkk n TYR 211 Ca 0.09 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.99 1kkk n TYR 211 Cb 0.50 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1kkk n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kkk n GLY 212 N -0.59 0.75 3.85 2.72 0.00 -0.26 -5.06 105.19 106.61 1kkk n GLY 212 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1kkk n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kkk s ASP 213 N -2.54 6.75 0.41 1.61 1.01 -0.88 -4.93 116.67 118.11 1kkk s ASP 213 Ca 0.00 1.11 -0.26 0.00 0.71 0.00 0.00 52.55 54.11 1kkk s ASP 213 Cb 0.00 -2.30 -0.08 0.00 1.01 0.00 0.00 42.92 41.54 1kkk s ASP 213 CO 0.00 -0.07 1.31 -2.16 0.21 0.00 0.00 175.17 174.46 1kkk s PRO 214 N -2.61 3.91 -0.07 8.23 0.04 -1.26 -2.40 135.00 140.83 1kkk s PRO 214 Ca 0.47 2.16 0.11 0.00 0.04 0.00 0.00 61.00 63.78 1kkk s PRO 214 Cb -0.12 -2.72 0.17 0.00 0.04 0.00 0.00 34.50 31.86 1kkk s PRO 214 CO 0.20 -0.54 1.06 -0.40 0.04 0.00 0.00 177.00 177.35 1kkk n ASP 215 N 0.05 1.84 -3.64 6.66 5.75 -1.26 -2.71 116.55 123.24 1kkk n ASP 215 Ca 0.04 -2.57 -0.15 0.00 -0.01 0.00 0.00 54.79 52.10 1kkk n ASP 215 Cb 0.44 -0.27 -0.08 0.00 -1.03 0.00 0.00 41.12 40.18 1kkk n ASP 215 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1kkk s HIS 216 N -1.90 -0.59 0.54 2.11 5.04 -1.26 -4.72 115.29 114.51 1kkk s HIS 216 Ca 0.18 1.27 0.22 0.00 -1.54 0.00 0.00 55.06 55.19 1kkk s HIS 216 Cb 0.16 0.26 1.42 0.00 0.04 0.00 0.00 32.58 34.46 1kkk s HIS 216 CO 0.02 -0.42 2.12 -0.92 -2.34 0.00 0.00 174.74 173.20 1kkk h TYR 217 N 4.33 0.00 0.00 3.88 3.20 -0.65 -0.80 116.97 126.92 1kkk h TYR 217 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 1kkk h TYR 217 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1kkk h TYR 217 CO 0.41 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.59 1kkk h SER 218 N 0.00 0.00 -0.50 -2.11 4.64 -1.88 -2.52 113.55 111.18 1kkk h SER 218 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1kkk h SER 218 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1kkk h SER 218 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1kkk n LYS 219 N -2.64 3.34 -1.88 4.77 5.02 -0.31 -5.01 118.16 121.45 1kkk n LYS 219 Ca 0.01 -2.67 -0.39 0.00 -2.02 0.00 0.00 58.31 53.24 1kkk n LYS 219 Cb 0.23 -1.72 0.02 0.00 -0.02 0.00 0.00 35.03 33.54 1kkk n LYS 219 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1kkk s ARG 220 N -1.81 3.52 0.03 1.97 1.70 -0.95 -4.67 118.95 118.74 1kkk s ARG 220 Ca 0.43 2.23 -0.30 0.00 -0.47 0.00 0.00 55.73 57.62 1kkk s ARG 220 Cb 0.28 -2.48 -0.04 0.00 -0.57 0.00 0.00 34.95 32.14 1kkk s ARG 220 CO 0.20 -0.89 0.96 -0.47 -1.08 0.00 0.00 175.30 174.02 1kkk s TYR 221 N -1.29 3.71 -0.34 5.89 5.04 -1.26 -4.95 117.35 124.15 1kkk s TYR 221 Ca 0.65 1.71 0.09 0.00 -2.44 0.00 0.00 57.07 57.08 1kkk s TYR 221 Cb -0.40 -3.08 0.21 0.00 0.35 0.00 0.00 41.96 39.04 1kkk s TYR 221 CO 0.49 0.07 1.16 0.25 -1.34 0.00 0.00 175.55 176.18 1kkk n THR 222 N 3.52 1.31 -1.03 4.34 -2.24 -1.26 -4.84 114.28 114.09 1kkk n THR 222 Ca 0.04 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1kkk n THR 222 Cb 0.50 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1kkk n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkk n GLY 223 N -0.33 -0.93 0.00 3.38 0.00 -1.26 -5.03 105.19 101.03 1kkk n GLY 223 Ca 0.09 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.49 1kkk n GLY 223 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kkk n THR 224 N -1.78 0.00 -1.69 2.61 -2.24 -1.26 -4.29 114.28 105.64 1kkk n THR 224 Ca 0.00 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1kkk n THR 224 Cb 0.00 0.94 0.06 0.00 -2.10 0.00 0.00 70.33 69.23 1kkk n THR 224 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1kkk s GLN 225 N -2.53 2.60 -1.41 -0.78 -0.21 -1.26 -3.05 119.66 113.02 1kkk s GLN 225 Ca 0.05 1.57 -0.07 0.00 0.02 0.00 0.00 55.36 56.93 1kkk s GLN 225 Cb 0.12 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 32.26 1kkk s GLN 225 CO 0.65 -1.44 0.90 -3.47 -2.12 0.00 0.00 175.29 169.81 1kkk n ASP 226 N -2.39 -3.43 -3.76 5.90 2.03 -1.26 -0.49 116.55 113.16 1kkk n ASP 226 Ca 0.12 -0.76 -0.29 0.00 0.52 0.00 0.00 54.79 54.38 1kkk n ASP 226 Cb 0.51 -4.13 0.01 0.00 -0.72 0.00 0.00 41.12 36.80 1kkk n ASP 226 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1kkk n ASN 227 N -2.95 -4.50 0.00 1.67 3.02 -1.23 -1.15 115.26 110.12 1kkk n ASN 227 Ca -0.11 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1kkk n ASN 227 Cb 0.60 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 1kkk n ASN 227 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kkk n GLY 228 N -1.52 0.79 2.02 7.41 0.00 -0.56 -1.16 105.19 112.16 1kkk n GLY 228 Ca 0.02 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 1kkk n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkk n GLY 229 N -2.26 0.56 0.26 -0.02 0.00 0.36 -4.44 105.19 99.66 1kkk n GLY 229 Ca 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.63 1kkk n GLY 229 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1kkk h VAL 230 N -0.68 1.12 -0.01 1.61 -1.51 -1.44 0.12 116.25 115.45 1kkk h VAL 230 Ca -0.15 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1kkk h VAL 230 Cb 1.09 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1kkk h VAL 230 CO 0.14 0.15 -0.22 1.41 -1.23 0.00 0.00 177.57 177.82 1kkk n HIS 231 N -4.39 0.00 -0.10 5.19 8.25 -1.26 -3.66 115.22 119.25 1kkk n HIS 231 Ca -0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1kkk n HIS 231 Cb 0.18 -0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 1kkk n HIS 231 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1kkk n ILE 232 N -0.18 1.51 0.51 1.59 5.41 -0.69 -4.51 119.36 123.01 1kkk n ILE 232 Ca 0.13 0.01 0.06 0.00 1.00 0.00 0.00 62.75 63.96 1kkk n ILE 232 Cb 0.39 -2.23 0.30 0.00 -0.71 0.00 0.00 39.64 37.39 1kkk n ILE 232 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1kkk n ASN 233 N -4.41 0.00 0.28 4.38 3.02 0.33 -2.04 115.26 116.82 1kkk n ASN 233 Ca -0.24 0.36 0.16 0.00 -0.03 0.00 0.00 54.58 54.83 1kkk n ASN 233 Cb 0.61 -0.42 0.82 0.00 -0.61 0.00 0.00 39.78 40.17 1kkk n ASN 233 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1kkk h SER 234 N 0.00 0.00 -0.14 6.41 4.64 -1.75 -2.42 113.55 120.29 1kkk h SER 234 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kkk h SER 234 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1kkk h SER 234 CO 0.00 0.07 0.09 1.23 -0.87 0.00 0.00 176.83 177.35 1kkk h GLY 235 N 0.96 0.19 0.98 -0.77 0.00 -1.60 0.10 103.07 102.93 1kkk h GLY 235 Ca -0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 1kkk h GLY 235 CO 0.01 0.07 0.03 -2.22 0.00 0.00 0.00 176.54 174.43 1kkk h ILE 236 N 0.19 1.26 -0.00 2.60 2.04 -1.22 -0.93 117.51 121.44 1kkk h ILE 236 Ca 0.05 -1.01 -0.25 0.00 1.00 0.00 0.00 64.86 64.65 1kkk h ILE 236 Cb -0.02 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1kkk h ILE 236 CO -0.01 0.35 -0.99 0.40 0.00 0.00 0.00 178.15 177.90 1kkk h ILE 237 N 0.66 1.33 -0.87 -0.67 1.08 -1.52 -2.72 117.51 114.81 1kkk h ILE 237 Ca 0.14 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.28 1kkk h ILE 237 Cb 0.47 2.39 -0.04 0.00 -3.07 0.00 0.00 36.82 36.56 1kkk h ILE 237 CO 0.02 0.71 0.56 0.78 -0.69 0.00 0.00 178.15 179.53 1kkk h ASN 238 N 0.33 1.01 -0.62 1.72 2.35 -0.74 -0.11 115.58 119.53 1kkk h ASN 238 Ca -0.11 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.54 1kkk h ASN 238 Cb 1.64 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.73 1kkk h ASN 238 CO 0.19 0.75 0.14 0.50 -1.65 0.00 0.00 177.43 177.36 1kkk h LYS 239 N 1.18 0.99 -0.61 0.81 1.63 -1.17 -0.64 116.57 118.77 1kkk h LYS 239 Ca 0.32 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1kkk h LYS 239 Cb -0.11 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.36 1kkk h LYS 239 CO -0.07 0.91 0.35 0.00 -3.45 0.00 0.00 179.45 177.19 1kkk h ALA 240 N 1.04 0.78 -0.54 5.00 0.00 -1.06 -0.83 119.26 123.65 1kkk h ALA 240 Ca 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1kkk h ALA 240 Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1kkk h ALA 240 CO 0.00 0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.77 1kkk h ALA 241 N 1.17 0.70 -0.66 0.00 0.00 -0.73 -1.04 119.26 118.71 1kkk h ALA 241 Ca 0.22 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1kkk h ALA 241 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1kkk h ALA 241 CO -0.04 0.28 0.43 -0.92 0.00 0.00 0.00 179.25 179.01 1kkk h TYR 242 N 0.73 0.82 -0.57 0.00 3.20 -0.74 -2.12 116.97 118.28 1kkk h TYR 242 Ca 0.18 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 1kkk h TYR 242 Cb 0.15 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1kkk h TYR 242 CO 0.00 0.51 0.07 -0.07 -1.64 0.00 0.00 178.16 177.04 1kkk h LEU 243 N 0.88 0.93 -0.71 2.82 3.38 -0.81 0.19 115.31 122.00 1kkk h LEU 243 Ca 0.24 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1kkk h LEU 243 Cb -0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 1kkk h LEU 243 CO -0.06 0.97 0.44 0.40 0.09 0.00 0.00 178.44 180.29 1kkk h ILE 244 N 0.86 1.10 0.06 1.22 2.04 -0.89 0.56 117.51 122.46 1kkk h ILE 244 Ca 0.17 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1kkk h ILE 244 Cb 0.45 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1kkk h ILE 244 CO 0.02 0.16 -0.03 -1.28 0.00 0.00 0.00 178.15 177.02 1kkk h SER 245 N 0.87 -0.07 0.52 1.72 0.87 -1.16 0.57 113.55 116.88 1kkk h SER 245 Ca 0.28 -0.55 -0.07 0.00 -1.23 0.00 0.00 61.79 60.21 1kkk h SER 245 Cb 0.01 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1kkk h SER 245 CO -0.10 0.64 -1.54 0.00 -0.53 0.00 0.00 176.83 175.30 1kkk n GLN 246 N -4.78 0.63 -0.11 2.24 1.13 0.65 -1.23 117.38 115.92 1kkk n GLN 246 Ca -0.07 0.03 0.01 0.00 -1.94 0.00 0.00 57.00 55.03 1kkk n GLN 246 Cb 0.30 -1.70 -0.00 0.00 0.11 0.00 0.00 30.24 28.95 1kkk n GLN 246 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kkk n GLY 247 N 1.31 -1.64 0.00 1.08 0.00 0.19 -4.32 105.19 101.82 1kkk n GLY 247 Ca -0.07 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1kkk n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkk n GLY 248 N -1.90 1.83 3.24 -0.02 0.00 -0.29 -4.76 105.19 103.30 1kkk n GLY 248 Ca -0.00 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 1kkk n GLY 248 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kkk s THR 249 N -1.48 2.79 -0.11 2.61 2.01 -1.26 -0.11 115.64 120.10 1kkk s THR 249 Ca 0.00 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1kkk s THR 249 Cb 0.00 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1kkk s THR 249 CO 0.00 0.48 -0.12 -2.28 -0.69 0.00 0.00 174.62 172.01 1kkk s HIS 250 N 1.22 1.75 -1.47 4.92 5.04 -0.19 -4.74 115.29 121.82 1kkk s HIS 250 Ca 0.02 -0.84 -0.12 0.00 -1.54 0.00 0.00 55.06 52.59 1kkk s HIS 250 Cb -0.14 -1.32 0.08 0.00 0.04 0.00 0.00 32.58 31.24 1kkk s HIS 250 CO -0.05 -0.48 0.77 0.66 -2.34 0.00 0.00 174.74 173.29 1kkk n TYR 251 N 4.45 -2.05 -0.49 3.88 4.01 -1.26 -1.31 117.16 124.39 1kkk n TYR 251 Ca -0.17 0.71 0.00 0.00 -0.16 0.00 0.00 57.90 58.28 1kkk n TYR 251 Cb 0.51 -3.60 0.00 0.00 -0.31 0.00 0.00 39.34 35.94 1kkk n TYR 251 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kkk n GLY 252 N -1.48 1.35 3.54 2.72 0.00 -1.26 -5.03 105.19 105.03 1kkk n GLY 252 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1kkk n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkk s VAL 253 N -3.24 4.58 -0.07 1.61 1.01 -0.43 -5.09 120.40 118.77 1kkk s VAL 253 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 1kkk s VAL 253 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1kkk s VAL 253 CO 0.00 0.38 0.44 -0.44 0.00 0.00 0.00 175.10 175.48 1kkk s SER 254 N 1.09 6.73 -0.08 3.32 0.01 -1.26 -1.02 113.70 122.49 1kkk s SER 254 Ca 0.04 0.87 0.04 0.00 1.31 0.00 0.00 55.95 58.21 1kkk s SER 254 Cb -0.14 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.82 1kkk s SER 254 CO 0.03 0.15 -0.19 -0.69 0.41 0.00 0.00 173.24 172.95 1kkk s VAL 255 N -0.12 1.64 -0.28 3.43 1.01 0.85 -4.91 120.40 122.01 1kkk s VAL 255 Ca 0.24 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 1kkk s VAL 255 Cb -0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1kkk s VAL 255 CO 0.11 0.47 0.58 -0.69 0.00 0.00 0.00 175.10 175.57 1kkk s VAL 256 N 0.37 5.00 0.42 2.92 1.01 -1.26 -1.13 120.40 127.71 1kkk s VAL 256 Ca -0.14 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 1kkk s VAL 256 Cb -0.16 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 1kkk s VAL 256 CO 0.06 -0.04 1.25 -0.83 0.00 0.00 0.00 175.10 175.53 1kkk s GLY 257 N 1.59 2.89 0.00 4.51 0.00 -1.26 -4.74 107.32 110.30 1kkk s GLY 257 Ca 0.23 1.12 0.06 0.00 0.00 0.00 0.00 44.72 46.13 1kkk s GLY 257 CO 0.10 1.66 0.77 0.29 0.00 0.00 0.00 173.10 175.93 1kkk n ILE 258 N -0.01 0.17 0.00 0.90 -5.35 0.19 -4.86 119.36 110.40 1kkk n ILE 258 Ca 0.05 -0.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 1kkk n ILE 258 Cb 0.45 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1kkk n ILE 258 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kkk n GLY 259 N 0.30 1.48 0.28 3.28 0.00 -0.36 -4.53 105.19 105.63 1kkk n GLY 259 Ca 0.04 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1kkk n GLY 259 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1kkk h ARG 260 N 0.00 0.98 -0.35 1.61 3.08 -1.93 -2.52 114.38 115.25 1kkk h ARG 260 Ca 0.00 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 1kkk h ARG 260 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1kkk h ARG 260 CO 0.00 1.10 0.21 -0.44 -1.07 0.00 0.00 179.97 179.77 1kkk h ASP 261 N 0.84 0.42 -0.15 7.04 3.32 -1.99 -0.70 116.42 125.20 1kkk h ASP 261 Ca 0.10 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.98 1kkk h ASP 261 Cb 0.82 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1kkk h ASP 261 CO 0.07 0.36 -0.27 0.11 -1.72 0.00 0.00 179.24 177.78 1kkk h LYS 262 N 0.46 0.62 -0.46 3.56 1.57 -1.79 -1.61 116.57 118.92 1kkk h LYS 262 Ca 0.13 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1kkk h LYS 262 Cb 0.01 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 1kkk h LYS 262 CO -0.02 0.83 0.26 1.25 -0.57 0.00 0.00 179.45 181.20 1kkk h LEU 263 N 0.54 0.40 -0.62 2.94 5.85 -1.09 -0.31 115.31 123.02 1kkk h LEU 263 Ca 0.07 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1kkk h LEU 263 Cb 0.75 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 1kkk h LEU 263 CO 0.06 0.28 0.30 1.23 -0.34 0.00 0.00 178.44 179.97 1kkk h GLY 264 N 0.51 0.96 1.00 3.75 0.00 -0.79 -1.35 103.07 107.15 1kkk h GLY 264 Ca 0.19 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1kkk h GLY 264 CO -0.10 0.45 0.09 0.50 0.00 0.00 0.00 176.54 177.49 1kkk h LYS 265 N 0.86 0.88 -0.16 4.80 1.57 -0.88 -0.44 116.57 123.20 1kkk h LYS 265 Ca 0.21 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1kkk h LYS 265 Cb 0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1kkk h LYS 265 CO -0.03 0.85 0.02 0.82 -0.57 0.00 0.00 179.45 180.55 1kkk h ILE 266 N 0.77 1.23 -0.03 1.86 2.04 -0.90 -2.32 117.51 120.15 1kkk h ILE 266 Ca 0.16 -0.73 -0.14 0.00 1.00 0.00 0.00 64.86 65.16 1kkk h ILE 266 Cb 0.39 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1kkk h ILE 266 CO 0.01 0.22 -0.60 -0.26 0.00 0.00 0.00 178.15 177.52 1kkk h PHE 267 N 0.04 0.15 -0.47 1.37 -1.00 -1.21 -1.89 116.94 113.92 1kkk h PHE 267 Ca 0.05 -0.06 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 1kkk h PHE 267 Cb 0.31 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.83 1kkk h PHE 267 CO 0.02 0.69 -0.14 -0.92 -1.61 0.00 0.00 178.31 176.35 1kkk h TYR 268 N 0.09 1.05 -0.53 -0.55 3.20 -1.06 -0.67 116.97 118.51 1kkk h TYR 268 Ca -0.01 -0.24 -0.09 0.00 3.14 0.00 0.00 58.73 61.54 1kkk h TYR 268 Cb 1.08 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 1kkk h TYR 268 CO 0.01 1.02 -0.01 -0.09 -1.64 0.00 0.00 178.16 177.45 1kkk h ARG 269 N 0.77 0.94 -0.35 1.82 2.43 -1.33 -1.12 114.38 117.53 1kkk h ARG 269 Ca 0.12 -0.31 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1kkk h ARG 269 Cb 0.70 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1kkk h ARG 269 CO 0.05 0.96 0.22 0.00 -1.51 0.00 0.00 179.97 179.69 1kkk h ALA 270 N 0.94 0.45 -0.50 2.80 0.00 -1.17 0.36 119.26 122.15 1kkk h ALA 270 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kkk h ALA 270 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1kkk h ALA 270 CO 0.03 -0.06 0.31 1.25 0.00 0.00 0.00 179.25 180.78 1kkk h LEU 271 N 0.46 0.60 0.00 0.00 5.85 -0.92 -0.75 115.31 120.55 1kkk h LEU 271 Ca 0.13 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1kkk h LEU 271 Cb -0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1kkk h LEU 271 CO -0.02 0.47 -0.72 0.71 -0.34 0.00 0.00 178.44 178.54 1kkk h THR 272 N 0.67 0.00 0.00 1.05 1.35 -1.08 -3.23 112.91 111.67 1kkk h THR 272 Ca 0.18 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1kkk h THR 272 Cb -0.02 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1kkk h THR 272 CO -0.03 0.00 -1.01 0.00 -0.25 0.00 0.00 175.52 174.22 1kkk n GLN 273 N -2.11 3.72 -0.01 4.72 1.13 0.11 -4.92 117.38 120.01 1kkk n GLN 273 Ca 0.03 -0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.08 1kkk n GLN 273 Cb 0.44 -1.00 -0.02 0.00 0.11 0.00 0.00 30.24 29.77 1kkk n GLN 273 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1kkk n TYR 274 N -1.98 0.00 -2.55 1.08 4.01 -0.66 -5.05 117.16 112.01 1kkk n TYR 274 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 1kkk n TYR 274 Cb 0.47 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 1kkk n TYR 274 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1kkk s LEU 275 N -4.07 3.85 0.37 7.72 1.43 -0.38 -5.00 118.68 122.60 1kkk s LEU 275 Ca -0.01 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.05 1kkk s LEU 275 Cb 0.01 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 1kkk s LEU 275 CO 0.10 -0.77 0.06 0.42 0.23 0.00 0.00 176.35 176.39 1kkk s THR 276 N -1.98 1.16 0.50 5.49 -4.23 -1.26 -4.57 115.64 110.75 1kkk s THR 276 Ca 0.67 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.39 1kkk s THR 276 Cb -0.16 -2.67 0.37 0.00 1.34 0.00 0.00 72.50 71.37 1kkk s THR 276 CO 0.20 0.00 1.99 -0.65 -0.54 0.00 0.00 174.62 175.62 1kkk h PRO 277 N 1.94 0.13 -0.38 3.99 0.11 -1.63 -2.73 132.00 133.43 1kkk h PRO 277 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1kkk h PRO 277 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1kkk h PRO 277 CO 0.69 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 178.81 1kkk n THR 278 N -4.42 1.77 -1.71 -1.15 -2.24 -1.26 -1.07 114.28 104.19 1kkk n THR 278 Ca 0.09 -1.42 -0.43 0.00 -2.27 0.00 0.00 64.05 60.03 1kkk n THR 278 Cb 0.51 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1kkk n THR 278 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1kkk n SER 279 N 0.23 3.07 -4.52 3.42 7.64 -1.03 -4.81 113.62 117.61 1kkk n SER 279 Ca 0.19 1.19 -0.22 0.00 1.01 0.00 0.00 58.87 61.04 1kkk n SER 279 Cb 0.74 -1.51 0.01 0.00 -1.01 0.00 0.00 64.21 62.45 1kkk n SER 279 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1kkk n ASN 280 N 1.27 2.42 -0.21 6.43 0.23 -1.26 -3.38 115.26 120.75 1kkk n ASN 280 Ca 0.06 -2.61 -0.02 0.00 -0.53 0.00 0.00 54.58 51.49 1kkk n ASN 280 Cb 0.35 -0.10 0.09 0.00 -2.08 0.00 0.00 39.78 38.04 1kkk n ASN 280 CO 0.00 0.00 0.00 -0.26 -0.93 0.00 0.00 177.26 176.07 1kkk h PHE 281 N 0.54 0.60 -0.82 -2.53 -1.00 -1.95 -0.64 116.94 111.13 1kkk h PHE 281 Ca -0.29 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.51 1kkk h PHE 281 Cb 1.12 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 40.46 1kkk h PHE 281 CO 0.00 0.27 0.50 1.03 -1.61 0.00 0.00 178.31 178.50 1kkk h SER 282 N 0.60 0.98 0.66 2.17 0.87 -1.95 -1.10 113.55 115.78 1kkk h SER 282 Ca 0.29 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.66 1kkk h SER 282 Cb 0.21 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1kkk h SER 282 CO -0.20 0.74 -0.64 1.56 -0.53 0.00 0.00 176.83 177.76 1kkk h GLN 283 N 1.13 0.00 -0.55 2.24 4.20 -1.78 -2.38 115.11 117.97 1kkk h GLN 283 Ca 0.30 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.91 1kkk h GLN 283 Cb -0.06 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1kkk h GLN 283 CO -0.06 0.64 -0.02 1.25 -0.67 0.00 0.00 178.83 179.98 1kkk h LEU 284 N 0.00 0.98 -0.31 1.46 5.85 -0.26 0.16 115.31 123.19 1kkk h LEU 284 Ca -0.01 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.41 1kkk h LEU 284 Cb 1.14 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1kkk h LEU 284 CO 0.08 1.06 0.18 -0.09 -0.34 0.00 0.00 178.44 179.33 1kkk h ARG 285 N 0.87 0.36 -0.67 1.25 2.43 -1.01 0.90 114.38 118.52 1kkk h ARG 285 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1kkk h ARG 285 Cb 0.57 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1kkk h ARG 285 CO 0.03 0.24 0.44 0.00 -1.51 0.00 0.00 179.97 179.17 1kkk h ALA 286 N 1.14 0.85 -0.71 2.80 0.00 -1.15 -0.60 119.26 121.60 1kkk h ALA 286 Ca 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1kkk h ALA 286 Cb -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1kkk h ALA 286 CO -0.06 0.29 0.17 0.00 0.00 0.00 0.00 179.25 179.65 1kkk h ALA 287 N 1.24 0.93 -0.44 0.00 0.00 -0.52 -0.85 119.26 119.62 1kkk h ALA 287 Ca 0.25 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1kkk h ALA 287 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1kkk h ALA 287 CO -0.05 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.68 1kkk h ALA 288 N 1.08 0.62 -0.42 0.00 0.00 -0.47 -0.63 119.26 119.45 1kkk h ALA 288 Ca 0.22 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1kkk h ALA 288 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1kkk h ALA 288 CO 0.00 0.57 0.10 0.28 0.00 0.00 0.00 179.25 180.21 1kkk h VAL 289 N 0.74 1.23 -0.70 0.00 2.07 -0.95 -1.06 116.25 117.58 1kkk h VAL 289 Ca 0.10 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1kkk h VAL 289 Cb 0.74 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1kkk h VAL 289 CO 0.06 0.27 0.27 -0.61 0.02 0.00 0.00 177.57 177.58 1kkk h GLN 290 N 0.53 1.05 -0.43 1.57 5.75 -1.06 -0.33 115.11 122.19 1kkk h GLN 290 Ca 0.13 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1kkk h GLN 290 Cb 0.31 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1kkk h GLN 290 CO 0.00 0.87 0.18 0.77 -2.65 0.00 0.00 178.83 178.00 1kkk h SER 291 N 1.00 0.59 -0.11 -0.69 0.02 -0.90 0.25 113.55 113.70 1kkk h SER 291 Ca 0.23 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 1kkk h SER 291 Cb 0.22 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1kkk h SER 291 CO -0.02 0.58 -0.11 0.00 -1.14 0.00 0.00 176.83 176.14 1kkk h ALA 292 N 1.03 1.31 -0.32 3.77 0.00 -0.98 -2.04 119.26 122.03 1kkk h ALA 292 Ca 0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1kkk h ALA 292 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1kkk h ALA 292 CO -0.01 0.46 -0.03 1.15 0.00 0.00 0.00 179.25 180.82 1kkk h THR 293 N 0.41 1.27 -0.46 0.00 2.02 -0.45 0.83 112.91 116.53 1kkk h THR 293 Ca 0.08 -1.02 0.03 0.00 0.77 0.00 0.00 66.41 66.27 1kkk h THR 293 Cb 0.45 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.12 1kkk h THR 293 CO 0.03 0.33 0.25 0.44 0.37 0.00 0.00 175.52 176.93 1kkk h ASP 294 N 0.37 0.37 0.44 4.18 3.32 -0.62 -0.55 116.42 123.93 1kkk h ASP 294 Ca 0.09 0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.87 1kkk h ASP 294 Cb 0.49 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1kkk h ASP 294 CO 0.02 0.27 -1.23 -0.07 -1.72 0.00 0.00 179.24 176.50 1kkk h LEU 295 N 0.49 0.59 -0.26 1.55 3.38 -1.29 -3.41 115.31 116.36 1kkk h LEU 295 Ca 0.19 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1kkk h LEU 295 Cb 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1kkk h LEU 295 CO -0.12 1.44 0.00 -1.22 0.09 0.00 0.00 178.44 178.63 1kkk n TYR 296 N -3.64 0.00 0.00 1.13 4.01 0.28 -5.10 117.16 113.83 1kkk n TYR 296 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1kkk n TYR 296 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.03 1kkk n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1kkk n GLY 297 N 0.57 2.31 0.27 2.72 0.00 -0.22 -4.48 105.19 106.37 1kkk n GLY 297 Ca 0.00 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.47 1kkk n GLY 297 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1kkk h SER 298 N 0.00 0.00 -0.49 1.61 4.64 -1.89 -2.53 113.55 114.90 1kkk h SER 298 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1kkk h SER 298 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1kkk h SER 298 CO 0.00 0.06 0.08 0.35 -0.87 0.00 0.00 176.83 176.45 1kkk n THR 299 N -3.90 2.63 -2.15 2.95 -2.24 -1.26 -4.87 114.28 105.44 1kkk n THR 299 Ca -0.03 -1.80 -0.29 0.00 -2.27 0.00 0.00 64.05 59.66 1kkk n THR 299 Cb 0.15 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 68.10 1kkk n THR 299 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1kkk s SER 300 N -1.48 6.04 0.30 3.42 1.04 -0.95 -4.97 113.70 117.10 1kkk s SER 300 Ca 0.49 1.15 0.06 0.00 0.48 0.00 0.00 55.95 58.13 1kkk s SER 300 Cb 0.40 -2.23 0.49 0.00 0.10 0.00 0.00 66.02 64.78 1kkk s SER 300 CO 0.11 -0.89 1.74 -0.61 0.98 0.00 0.00 173.24 174.57 1kkk h GLN 301 N -0.20 0.30 -0.31 4.02 5.75 -1.91 -2.69 115.11 120.07 1kkk h GLN 301 Ca -0.45 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 57.94 1kkk h GLN 301 Cb 1.21 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 1kkk h GLN 301 CO 0.62 0.60 0.17 0.93 -2.65 0.00 0.00 178.83 178.50 1kkk h GLU 302 N 0.26 0.33 -0.57 1.69 3.07 -1.93 0.08 114.58 117.52 1kkk h GLU 302 Ca 0.03 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 1kkk h GLU 302 Cb 0.71 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.53 1kkk h GLU 302 CO 0.05 0.22 0.12 0.28 -1.40 0.00 0.00 179.01 178.29 1kkk h VAL 303 N 0.34 1.25 -0.51 3.13 2.07 -1.80 -2.18 116.25 118.56 1kkk h VAL 303 Ca 0.13 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1kkk h VAL 303 Cb 0.03 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1kkk h VAL 303 CO -0.08 0.34 0.30 0.00 0.02 0.00 0.00 177.57 178.15 1kkk h ALA 304 N 1.02 0.65 -0.52 1.67 0.00 -1.11 -1.90 119.26 119.07 1kkk h ALA 304 Ca 0.18 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1kkk h ALA 304 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1kkk h ALA 304 CO 0.01 0.00 0.09 0.77 0.00 0.00 0.00 179.25 180.11 1kkk h SER 305 N 0.60 0.76 -0.36 0.00 0.02 -0.82 -0.73 113.55 113.02 1kkk h SER 305 Ca 0.20 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1kkk h SER 305 Cb 0.03 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1kkk h SER 305 CO -0.09 0.77 0.07 0.58 -1.14 0.00 0.00 176.83 177.02 1kkk h VAL 306 N 0.77 1.23 -0.55 2.27 2.07 -0.99 -1.00 116.25 120.06 1kkk h VAL 306 Ca 0.16 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1kkk h VAL 306 Cb 0.34 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1kkk h VAL 306 CO 0.00 0.27 0.26 0.11 0.02 0.00 0.00 177.57 178.24 1kkk h LYS 307 N 0.44 0.79 -0.75 1.57 1.57 -1.05 -2.42 116.57 116.72 1kkk h LYS 307 Ca 0.11 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1kkk h LYS 307 Cb 0.33 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1kkk h LYS 307 CO 0.00 0.65 0.30 1.96 -0.57 0.00 0.00 179.45 181.79 1kkk h GLN 308 N 0.74 1.12 -0.30 3.15 1.08 -0.98 -1.04 115.11 118.87 1kkk h GLN 308 Ca 0.19 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1kkk h GLN 308 Cb 0.12 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 1kkk h GLN 308 CO -0.02 0.91 0.12 0.00 -0.95 0.00 0.00 178.83 178.89 1kkk h ALA 309 N 1.15 0.39 -0.13 3.87 0.00 -0.99 0.13 119.26 123.68 1kkk h ALA 309 Ca 0.25 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1kkk h ALA 309 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1kkk h ALA 309 CO -0.02 -0.01 -0.39 0.74 0.00 0.00 0.00 179.25 179.57 1kkk h PHE 310 N 0.34 0.32 -0.69 0.00 0.04 -1.33 -2.51 116.94 113.10 1kkk h PHE 310 Ca 0.10 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1kkk h PHE 310 Cb 0.17 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.22 1kkk h PHE 310 CO -0.01 0.63 0.13 -0.44 -0.60 0.00 0.00 178.31 178.02 1kkk h ASP 311 N 0.23 1.09 -0.67 2.17 3.32 -0.84 -0.43 116.42 121.29 1kkk h ASP 311 Ca 0.02 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1kkk h ASP 311 Cb 0.79 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1kkk h ASP 311 CO 0.06 1.06 0.44 0.00 -1.72 0.00 0.00 179.24 179.08 1kkk h ALA 312 N 1.07 1.56 -0.55 3.45 0.00 -0.55 -1.82 119.26 122.41 1kkk h ALA 312 Ca 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kkk h ALA 312 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kkk h ALA 312 CO 0.01 0.39 0.00 1.33 0.00 0.00 0.00 179.25 180.98 1kkk n VAL 313 N -4.44 0.74 -1.42 0.00 0.24 -1.04 -4.72 118.33 107.69 1kkk n VAL 313 Ca 0.07 -0.75 -0.07 0.00 -2.04 0.00 0.00 64.34 61.56 1kkk n VAL 313 Cb 0.07 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 32.81 1kkk n VAL 313 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kkk n GLY 314 N 1.40 0.68 3.48 7.63 0.00 -0.68 0.05 105.19 117.75 1kkk n GLY 314 Ca 0.19 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1kkk n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkk s VAL 315 N -2.26 4.99 -2.03 1.61 1.01 -0.21 -4.65 120.40 118.85 1kkk s VAL 315 Ca 0.00 -0.41 0.16 0.00 0.00 0.00 0.00 61.98 61.74 1kkk s VAL 315 Cb 0.00 -3.61 0.13 0.00 0.00 0.00 0.00 36.38 32.90 1kkk s VAL 315 CO 0.00 -0.05 1.01 1.17 0.00 0.00 0.00 175.10 177.24