#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cnl h LYS 10 N 0.00 0.00 -3.43 5.31 5.09 -2.03 -3.37 116.57 118.14 3cnl h LYS 10 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 60.65 60.17 3cnl h LYS 10 Cb 0.00 0.00 -0.40 0.00 0.10 0.00 0.00 32.23 31.93 3cnl h LYS 10 CO 0.00 0.00 -0.76 0.00 -2.09 0.00 0.00 179.45 176.60 3cnl s ALA 11 N -3.73 1.34 0.00 0.07 0.00 -1.26 -2.17 121.76 116.01 3cnl s ALA 11 Ca -0.03 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3cnl s ALA 11 Cb 0.08 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3cnl s ALA 11 CO 0.26 -1.62 0.00 1.17 0.00 0.00 0.00 175.76 175.56 3cnl n LYS 12 N 4.93 0.00 0.05 0.00 4.81 -1.26 -4.52 118.16 122.18 3cnl n LYS 12 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.40 3cnl n LYS 12 Cb 0.42 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.75 3cnl n LYS 12 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 3cnl h ARG 13 N 0.00 0.39 -0.23 1.64 0.11 -1.75 -2.26 114.38 112.29 3cnl h ARG 13 Ca 0.00 -0.12 -0.20 0.00 0.10 0.00 0.00 59.98 59.76 3cnl h ARG 13 Cb 0.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.05 3cnl h ARG 13 CO 0.00 0.56 -0.64 0.37 0.10 0.00 0.00 179.97 180.36 3cnl h GLN 14 N 0.35 0.81 -0.69 0.08 4.15 -1.84 -2.40 115.11 115.58 3cnl h GLN 14 Ca 0.06 -0.57 0.08 0.00 0.77 0.00 0.00 58.65 59.00 3cnl h GLN 14 Cb 0.53 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.24 3cnl h GLN 14 CO 0.03 1.19 0.35 0.82 -1.93 0.00 0.00 178.83 179.30 3cnl h ILE 15 N 0.59 0.89 -0.91 2.39 1.08 -1.77 0.12 117.51 119.90 3cnl h ILE 15 Ca -0.01 -0.21 0.05 0.00 -0.39 0.00 0.00 64.86 64.30 3cnl h ILE 15 Cb 1.25 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 3cnl h ILE 15 CO 0.14 0.11 0.58 0.11 -0.69 0.00 0.00 178.15 178.40 3cnl h LYS 16 N 0.62 1.04 -0.29 2.37 1.79 -1.28 0.20 116.57 121.02 3cnl h LYS 16 Ca 0.33 -0.06 -0.07 0.00 -2.18 0.00 0.00 60.65 58.67 3cnl h LYS 16 Cb 0.30 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 3cnl h LYS 16 CO -0.24 0.69 -0.11 -0.44 -1.08 0.00 0.00 179.45 178.27 3cnl h ASP 17 N 1.07 0.47 0.50 0.86 3.45 -0.68 -2.84 116.42 119.27 3cnl h ASP 17 Ca 0.38 -0.12 -0.22 0.00 0.43 0.00 0.00 57.03 57.50 3cnl h ASP 17 Cb 0.12 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3cnl h ASP 17 CO -0.16 0.62 -0.98 -0.07 -1.57 0.00 0.00 179.24 177.09 3cnl h LEU 18 N 0.46 0.39 -1.59 1.55 3.38 -0.03 -3.27 115.31 116.21 3cnl h LEU 18 Ca 0.09 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3cnl h LEU 18 Cb 0.47 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3cnl h LEU 18 CO 0.03 1.16 -0.10 -0.07 0.09 0.00 0.00 178.44 179.55 3cnl h LEU 19 N 0.15 0.13 -1.84 1.67 4.07 -0.43 -2.51 115.31 116.54 3cnl h LEU 19 Ca -0.07 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.85 3cnl h LEU 19 Cb 1.63 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 43.33 3cnl h LEU 19 CO 0.16 0.25 -0.10 0.03 -1.08 0.00 0.00 178.44 177.70 3cnl h ARG 20 N 0.14 0.00 0.00 1.13 3.08 -1.55 -2.22 114.38 114.95 3cnl h ARG 20 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3cnl h ARG 20 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3cnl h ARG 20 CO 0.02 0.10 0.00 1.28 -1.07 0.00 0.00 179.97 180.29 3cnl n LEU 21 N -3.42 0.42 -4.38 3.04 4.77 -0.94 -4.93 117.00 111.55 3cnl n LEU 21 Ca -0.01 0.55 -0.19 0.00 -0.03 0.00 0.00 56.01 56.33 3cnl n LEU 21 Cb 0.26 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 3cnl n LEU 21 CO 0.29 -0.16 -0.36 0.68 -1.33 0.00 0.00 177.39 176.51 3cnl s VAL 22 N -3.08 1.42 0.00 4.08 -7.23 -0.84 -4.93 120.40 109.83 3cnl s VAL 22 Ca 0.11 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3cnl s VAL 22 Cb 0.14 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.74 3cnl s VAL 22 CO 0.52 -0.36 0.21 -0.46 -0.31 0.00 0.00 175.10 174.70 3cnl n ASN 23 N -0.49 0.42 -3.97 4.85 0.23 -0.71 -4.99 115.26 110.60 3cnl n ASN 23 Ca -0.06 -0.71 -0.13 0.00 -0.53 0.00 0.00 54.58 53.15 3cnl n ASN 23 Cb 0.63 0.43 -0.13 0.00 -2.08 0.00 0.00 39.78 38.63 3cnl n ASN 23 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3cnl s THR 24 N -0.43 0.31 -0.08 5.53 2.01 -0.76 -1.49 115.64 120.73 3cnl s THR 24 Ca 0.00 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3cnl s THR 24 Cb 0.00 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.20 3cnl s THR 24 CO 0.00 -0.14 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.03 3cnl s VAL 25 N -0.66 0.80 -0.41 3.82 1.01 0.55 -1.08 120.40 124.43 3cnl s VAL 25 Ca -0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 3cnl s VAL 25 Cb -0.05 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.54 3cnl s VAL 25 CO -0.00 0.31 0.29 -0.69 0.00 0.00 0.00 175.10 175.00 3cnl s VAL 26 N 1.35 4.99 -0.46 2.92 1.01 -0.17 -0.34 120.40 129.71 3cnl s VAL 26 Ca -0.03 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 3cnl s VAL 26 Cb -0.14 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.44 3cnl s VAL 26 CO -0.03 -0.35 0.82 -0.70 0.00 0.00 0.00 175.10 174.84 3cnl s GLU 27 N 1.62 3.42 -0.50 2.72 2.12 0.01 -0.82 118.70 127.26 3cnl s GLU 27 Ca 0.04 -0.08 -0.22 0.00 0.36 0.00 0.00 54.97 55.07 3cnl s GLU 27 Cb -0.20 -3.95 0.04 0.00 0.26 0.00 0.00 34.13 30.28 3cnl s GLU 27 CO 0.08 -1.17 0.77 0.08 -0.54 0.00 0.00 175.26 174.48 3cnl s VAL 28 N 3.42 4.65 0.29 3.70 1.01 0.48 -0.76 120.40 133.19 3cnl s VAL 28 Ca 0.31 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.39 3cnl s VAL 28 Cb -0.12 -4.38 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 3cnl s VAL 28 CO 0.23 -0.88 0.09 -0.13 0.00 0.00 0.00 175.10 174.41 3cnl s ARG 29 N 3.25 2.46 -0.15 2.72 0.52 -0.38 -4.39 118.95 122.98 3cnl s ARG 29 Ca 0.24 -1.38 -0.20 0.00 -0.52 0.00 0.00 55.73 53.87 3cnl s ARG 29 Cb -0.15 -2.26 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3cnl s ARG 29 CO 0.17 0.29 0.56 0.34 0.02 0.00 0.00 175.30 176.68 3cnl s ASP 30 N -3.77 6.69 0.62 0.23 -1.08 -1.26 -0.34 116.67 117.77 3cnl s ASP 30 Ca 0.34 0.83 0.39 0.00 -0.52 0.00 0.00 52.55 53.60 3cnl s ASP 30 Cb -0.05 -2.32 2.06 0.00 -1.46 0.00 0.00 42.92 41.14 3cnl s ASP 30 CO 0.22 -0.13 2.25 0.00 0.52 0.00 0.00 175.17 178.03 3cnl h ALA 31 N 7.12 1.07 0.00 3.66 0.00 -1.50 -2.28 119.26 127.33 3cnl h ALA 31 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3cnl h ALA 31 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3cnl h ALA 31 CO 0.76 0.02 0.00 0.00 0.00 0.00 0.00 179.25 180.02 3cnl h ARG 32 N 0.00 0.00 -1.15 0.00 3.08 -1.89 -3.38 114.38 111.03 3cnl h ARG 32 Ca -0.00 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.64 3cnl h ARG 32 Cb 0.15 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 29.91 3cnl h ARG 32 CO 0.00 0.00 -0.85 0.00 -1.07 0.00 0.00 179.97 178.05 3cnl n ALA 33 N -2.08 0.80 0.22 0.04 0.00 -0.87 0.33 120.51 118.94 3cnl n ALA 33 Ca 0.03 -2.55 0.05 0.00 0.00 0.00 0.00 53.44 50.96 3cnl n ALA 33 Cb 0.43 -1.03 0.49 0.00 0.00 0.00 0.00 19.45 19.34 3cnl n ALA 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3cnl h PRO 34 N 3.94 0.00 0.02 0.00 0.11 -1.70 -1.91 132.00 132.46 3cnl h PRO 34 Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 3cnl h PRO 34 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3cnl h PRO 34 CO 0.40 0.23 -0.20 0.74 -0.21 0.00 0.00 178.00 178.96 3cnl h PHE 35 N 0.00 0.16 -0.92 0.65 0.04 -1.95 -3.14 116.94 111.77 3cnl h PHE 35 Ca -0.00 -0.10 0.10 0.00 2.80 0.00 0.00 57.97 60.77 3cnl h PHE 35 Cb 0.41 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.47 3cnl h PHE 35 CO 0.00 0.99 0.56 0.00 -0.60 0.00 0.00 178.31 179.26 3cnl h ALA 36 N 0.13 1.35 -0.49 2.45 0.00 -1.93 -1.81 119.26 118.95 3cnl h ALA 36 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3cnl h ALA 36 Cb 1.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3cnl h ALA 36 CO 0.04 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.73 3cnl n THR 37 N -4.66 1.74 -2.21 0.00 -2.24 -0.73 -4.92 114.28 101.26 3cnl n THR 37 Ca 0.16 -1.00 -0.33 0.00 -2.27 0.00 0.00 64.05 60.61 3cnl n THR 37 Cb 0.30 -0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 3cnl n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3cnl s SER 38 N -0.73 5.95 -0.55 3.42 1.04 -0.68 -4.55 113.70 117.60 3cnl s SER 38 Ca 0.41 1.87 -0.05 0.00 0.48 0.00 0.00 55.95 58.67 3cnl s SER 38 Cb 0.29 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.88 3cnl s SER 38 CO 0.17 -1.05 2.85 0.00 0.98 0.00 0.00 173.24 176.19 3cnl n ALA 39 N -1.67 6.53 -1.78 5.32 0.00 -1.26 -4.89 120.51 122.77 3cnl n ALA 39 Ca 0.09 -3.03 -0.41 0.00 0.00 0.00 0.00 53.44 50.08 3cnl n ALA 39 Cb 0.53 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.66 3cnl n ALA 39 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3cnl s TYR 40 N -1.10 2.74 0.00 0.00 5.04 -1.26 -3.18 117.35 119.59 3cnl s TYR 40 Ca 0.60 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 56.15 3cnl s TYR 40 Cb 0.34 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.62 3cnl s TYR 40 CO -0.17 -3.30 0.00 0.41 -1.34 0.00 0.00 175.55 171.15 3cnl n GLY 41 N 1.66 3.15 3.85 8.97 0.00 -1.26 -4.87 105.19 116.70 3cnl n GLY 41 Ca 0.06 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 3cnl n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cnl s VAL 42 N -0.10 5.45 -0.38 1.61 0.11 -1.19 -5.06 120.40 120.84 3cnl s VAL 42 Ca 0.00 0.26 -0.20 0.00 -2.93 0.00 0.00 61.98 59.11 3cnl s VAL 42 Cb 0.00 -3.44 0.01 0.00 -1.53 0.00 0.00 36.38 31.42 3cnl s VAL 42 CO 0.00 0.59 0.64 -0.62 -3.33 0.00 0.00 175.10 172.37 3cnl s ASP 43 N -0.80 6.39 -0.08 3.54 -1.08 -1.26 -4.90 116.67 118.48 3cnl s ASP 43 Ca 0.15 -0.00 0.13 0.00 -0.52 0.00 0.00 52.55 52.31 3cnl s ASP 43 Cb -0.12 -2.32 0.42 0.00 -1.46 0.00 0.00 42.92 39.43 3cnl s ASP 43 CO 0.04 -0.65 1.34 0.49 0.52 0.00 0.00 175.17 176.91 3cnl n PHE 44 N 6.12 0.71 0.42 -5.34 3.72 -1.26 -4.74 117.46 117.09 3cnl n PHE 44 Ca -0.01 -0.67 0.10 0.00 -0.05 0.00 0.00 57.45 56.82 3cnl n PHE 44 Cb 0.48 -0.16 0.43 0.00 -0.94 0.00 0.00 39.48 39.29 3cnl n PHE 44 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3cnl n SER 45 N 0.10 0.44 -0.77 4.37 3.41 -1.26 -2.19 113.62 117.72 3cnl n SER 45 Ca 0.16 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 3cnl n SER 45 Cb 0.65 -0.70 0.20 0.00 -0.26 0.00 0.00 64.21 64.09 3cnl n SER 45 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cnl n ARG 46 N -1.99 1.98 -4.42 4.33 1.74 -1.26 -4.96 116.66 112.08 3cnl n ARG 46 Ca 0.02 -1.54 -0.24 0.00 -0.77 0.00 0.00 57.85 55.32 3cnl n ARG 46 Cb 0.20 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.08 3cnl n ARG 46 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3cnl s LYS 47 N -2.08 1.84 -0.32 5.56 -0.14 -0.93 -5.01 119.74 118.66 3cnl s LYS 47 Ca 0.29 -1.67 -0.29 0.00 -1.36 0.00 0.00 55.97 52.94 3cnl s LYS 47 Cb 0.20 -1.88 0.01 0.00 -1.68 0.00 0.00 37.83 34.48 3cnl s LYS 47 CO 0.35 0.34 1.19 -2.00 -0.76 0.00 0.00 175.35 174.47 3cnl s GLU 48 N -3.53 3.97 -0.15 1.68 2.56 -0.56 -4.91 118.70 117.76 3cnl s GLU 48 Ca 0.30 1.12 -0.03 0.00 0.00 0.00 0.00 54.97 56.36 3cnl s GLU 48 Cb -0.05 -3.82 -0.03 0.00 2.00 0.00 0.00 34.13 32.23 3cnl s GLU 48 CO 0.16 -1.05 -0.05 0.99 -0.56 0.00 0.00 175.26 174.76 3cnl s THR 49 N 4.07 3.83 -0.19 -1.70 2.01 -1.26 -0.33 115.64 122.07 3cnl s THR 49 Ca 0.51 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 3cnl s THR 49 Cb -0.14 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 3cnl s THR 49 CO 0.20 0.50 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.95 3cnl s ILE 50 N 0.26 3.39 -0.31 1.82 1.01 0.54 -4.48 121.20 123.44 3cnl s ILE 50 Ca -0.03 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 3cnl s ILE 50 Cb -0.14 -2.50 -0.00 0.00 0.01 0.00 0.00 42.46 39.82 3cnl s ILE 50 CO 0.03 0.46 0.74 -0.63 0.00 0.00 0.00 174.94 175.54 3cnl s ILE 51 N 1.01 4.83 -0.25 2.92 1.01 0.73 -0.81 121.20 130.63 3cnl s ILE 51 Ca -0.00 1.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.63 3cnl s ILE 51 Cb -0.15 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3cnl s ILE 51 CO -0.00 -0.24 0.07 -0.22 0.00 0.00 0.00 174.94 174.55 3cnl s LEU 52 N 2.87 3.45 -0.63 2.97 0.20 0.06 -0.88 118.68 126.73 3cnl s LEU 52 Ca 0.30 -0.22 -0.18 0.00 0.69 0.00 0.00 54.13 54.72 3cnl s LEU 52 Cb -0.14 -1.92 0.12 0.00 -0.43 0.00 0.00 46.19 43.81 3cnl s LEU 52 CO 0.13 -0.04 0.71 -0.76 -0.29 0.00 0.00 176.35 176.10 3cnl s LEU 53 N 1.61 5.57 0.61 -0.68 1.43 0.19 -1.25 118.68 126.15 3cnl s LEU 53 Ca 0.06 -1.61 -0.03 0.00 -1.03 0.00 0.00 54.13 51.52 3cnl s LEU 53 Cb -0.15 -2.29 0.04 0.00 0.03 0.00 0.00 46.19 43.82 3cnl s LEU 53 CO 0.04 -1.04 0.88 0.21 0.23 0.00 0.00 176.35 176.66 3cnl s ASN 54 N 3.52 5.18 -1.41 2.29 2.47 0.54 -1.93 114.94 125.59 3cnl s ASN 54 Ca 0.12 0.28 -0.03 0.00 0.42 0.00 0.00 52.86 53.66 3cnl s ASN 54 Cb -0.23 -1.12 0.00 0.00 -1.45 0.00 0.00 41.25 38.46 3cnl s ASN 54 CO 0.04 -1.28 0.37 0.29 -3.72 0.00 0.00 177.10 172.80 3cnl n LYS 55 N -2.58 -3.43 0.31 0.43 5.02 -0.97 -1.43 118.16 115.51 3cnl n LYS 55 Ca 0.07 0.82 0.21 0.00 -2.02 0.00 0.00 58.31 57.39 3cnl n LYS 55 Cb 0.60 -5.40 1.11 0.00 -0.02 0.00 0.00 35.03 31.31 3cnl n LYS 55 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3cnl h VAL 56 N -0.85 0.00 0.00 -0.18 -1.51 -1.72 -1.96 116.25 110.03 3cnl h VAL 56 Ca -0.45 -0.04 -0.04 0.00 -1.23 0.00 0.00 66.70 64.94 3cnl h VAL 56 Cb 1.32 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 3cnl h VAL 56 CO 0.50 0.00 -0.19 -2.24 -1.23 0.00 0.00 177.57 174.41 3cnl h ASP 57 N 0.00 0.00 -0.27 4.19 2.03 -1.90 -2.78 116.42 117.70 3cnl h ASP 57 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3cnl h ASP 57 Cb 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3cnl h ASP 57 CO 0.00 0.19 0.00 2.30 -1.03 0.00 0.00 179.24 180.70 3cnl n ILE 58 N -3.66 1.04 -3.99 4.15 -5.35 -0.74 -4.96 119.36 105.85 3cnl n ILE 58 Ca -0.01 -1.03 -0.25 0.00 -0.27 0.00 0.00 62.75 61.18 3cnl n ILE 58 Cb 0.31 0.48 -0.04 0.00 -1.74 0.00 0.00 39.64 38.65 3cnl n ILE 58 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3cnl s ALA 59 N -1.06 3.84 -0.22 -1.28 0.00 -1.05 -2.59 121.76 119.40 3cnl s ALA 59 Ca 0.19 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 3cnl s ALA 59 Cb 0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 3cnl s ALA 59 CO 0.12 0.49 1.68 0.34 0.00 0.00 0.00 175.76 178.39 3cnl s ASP 60 N -3.29 6.27 0.25 0.00 -1.08 -1.26 -4.58 116.67 112.99 3cnl s ASP 60 Ca 0.33 1.63 -0.04 0.00 -0.52 0.00 0.00 52.55 53.96 3cnl s ASP 60 Cb -0.10 -2.53 0.40 0.00 -1.46 0.00 0.00 42.92 39.22 3cnl s ASP 60 CO 0.27 -1.34 1.85 -0.33 0.52 0.00 0.00 175.17 176.13 3cnl h GLU 61 N 11.21 0.95 -0.44 4.34 5.08 -1.92 -0.66 114.58 133.14 3cnl h GLU 61 Ca -0.35 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3cnl h GLU 61 Cb 1.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 3cnl h GLU 61 CO 1.00 0.63 0.28 -0.22 -1.00 0.00 0.00 179.01 179.70 3cnl h LYS 62 N 0.97 0.59 -0.52 2.33 3.64 -2.00 -1.88 116.57 119.70 3cnl h LYS 62 Ca 0.41 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 3cnl h LYS 62 Cb 0.26 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3cnl h LYS 62 CO -0.20 0.40 -0.16 1.15 -2.27 0.00 0.00 179.45 178.37 3cnl h THR 63 N 0.59 1.27 -0.22 1.00 2.02 -1.72 -2.69 112.91 113.16 3cnl h THR 63 Ca 0.16 -1.32 0.01 0.00 0.77 0.00 0.00 66.41 66.03 3cnl h THR 63 Cb -0.05 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3cnl h THR 63 CO -0.03 0.46 0.12 0.74 0.37 0.00 0.00 175.52 177.17 3cnl h THR 64 N 0.89 1.01 -0.79 3.16 2.02 -0.98 -1.28 112.91 116.93 3cnl h THR 64 Ca 0.13 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.30 3cnl h THR 64 Cb 0.73 0.74 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 3cnl h THR 64 CO 0.06 0.04 0.46 0.50 0.37 0.00 0.00 175.52 176.95 3cnl h LYS 65 N 0.25 0.77 -0.37 6.66 1.63 -1.27 -0.89 116.57 123.35 3cnl h LYS 65 Ca 0.09 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.81 3cnl h LYS 65 Cb 0.01 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 3cnl h LYS 65 CO -0.05 0.51 0.11 0.87 -3.45 0.00 0.00 179.45 177.43 3cnl h LYS 66 N 0.79 0.53 -0.36 1.90 1.79 -1.10 -1.78 116.57 118.34 3cnl h LYS 66 Ca 0.37 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.70 3cnl h LYS 66 Cb 0.28 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 3cnl h LYS 66 CO -0.22 0.48 -0.01 -1.49 -1.08 0.00 0.00 179.45 177.13 3cnl h TRP 67 N 0.53 0.71 -0.40 -1.35 4.06 -0.21 -1.25 115.95 118.04 3cnl h TRP 67 Ca 0.13 -0.13 0.07 0.00 2.06 0.00 0.00 58.89 61.01 3cnl h TRP 67 Cb 0.18 -0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 28.10 3cnl h TRP 67 CO 0.01 0.75 0.06 0.28 -3.56 0.00 0.00 178.44 175.98 3cnl h VAL 68 N 0.46 0.77 -0.49 1.49 2.07 -0.67 -1.21 116.25 118.66 3cnl h VAL 68 Ca 0.10 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3cnl h VAL 68 Cb 0.48 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3cnl h VAL 68 CO 0.02 0.03 0.24 -0.33 0.02 0.00 0.00 177.57 177.55 3cnl h GLU 69 N 0.19 0.71 -0.37 1.57 5.08 -1.27 -0.06 114.58 120.43 3cnl h GLU 69 Ca 0.20 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 3cnl h GLU 69 Cb 0.25 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 3cnl h GLU 69 CO -0.27 0.60 -0.00 0.35 -1.00 0.00 0.00 179.01 178.69 3cnl h PHE 70 N 0.66 -0.02 -0.22 4.33 3.57 -0.90 0.00 116.94 124.36 3cnl h PHE 70 Ca 0.17 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.51 3cnl h PHE 70 Cb 0.12 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3cnl h PHE 70 CO -0.01 -0.07 -0.60 0.74 -2.23 0.00 0.00 178.31 176.14 3cnl h PHE 71 N 0.10 1.03 -0.82 0.41 0.04 -0.81 -2.37 116.94 114.52 3cnl h PHE 71 Ca 0.18 -0.40 0.08 0.00 2.80 0.00 0.00 57.97 60.63 3cnl h PHE 71 Cb 0.25 -0.18 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 3cnl h PHE 71 CO -0.25 1.22 0.48 0.87 -0.60 0.00 0.00 178.31 180.03 3cnl h LYS 72 N 0.54 0.80 0.00 1.51 1.57 -0.90 -0.17 116.57 119.92 3cnl h LYS 72 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3cnl h LYS 72 Cb 1.22 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3cnl h LYS 72 CO 0.13 0.53 -0.27 0.87 -0.57 0.00 0.00 179.45 180.14 3cnl h LYS 73 N 0.83 0.00 0.00 3.15 1.57 -0.88 -0.80 116.57 120.44 3cnl h LYS 73 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3cnl h LYS 73 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3cnl h LYS 73 CO -0.23 0.27 0.00 1.04 -0.57 0.00 0.00 179.45 179.96 3cnl n GLN 74 N -3.92 0.85 -2.07 3.15 6.02 -0.63 -4.88 117.38 115.91 3cnl n GLN 74 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.94 3cnl n GLN 74 Cb 0.35 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.10 3cnl n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cnl n GLY 75 N 0.77 0.24 3.84 1.08 0.00 -0.31 -5.04 105.19 105.78 3cnl n GLY 75 Ca 0.21 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 3cnl n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cnl s LYS 76 N -4.17 3.23 -0.36 1.61 1.02 -0.17 -5.01 119.74 115.88 3cnl s LYS 76 Ca 0.00 -0.43 -0.28 0.00 0.02 0.00 0.00 55.97 55.28 3cnl s LYS 76 Cb -0.00 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.37 3cnl s LYS 76 CO 0.00 0.65 1.04 0.50 -0.92 0.00 0.00 175.35 176.62 3cnl s ARG 77 N -1.93 3.94 -0.01 1.68 3.52 -1.26 -4.28 118.95 120.61 3cnl s ARG 77 Ca 0.26 0.84 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 3cnl s ARG 77 Cb -0.12 -3.79 0.02 0.00 -1.56 0.00 0.00 34.95 29.50 3cnl s ARG 77 CO 0.18 -1.00 0.01 0.54 -0.81 0.00 0.00 175.30 174.21 3cnl s VAL 78 N 3.75 0.04 0.25 7.11 0.11 -1.26 -0.19 120.40 130.20 3cnl s VAL 78 Ca 0.44 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.62 3cnl s VAL 78 Cb -0.11 -0.11 -0.05 0.00 -1.53 0.00 0.00 36.38 34.58 3cnl s VAL 78 CO 0.19 0.07 -0.01 0.27 -3.33 0.00 0.00 175.10 172.29 3cnl s ILE 79 N 0.61 1.21 0.07 7.04 -4.36 -0.06 -4.96 121.20 120.76 3cnl s ILE 79 Ca -0.05 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 58.35 3cnl s ILE 79 Cb -0.08 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 3cnl s ILE 79 CO -0.02 -0.29 -0.18 0.42 0.24 0.00 0.00 174.94 175.12 3cnl s THR 80 N -3.30 1.42 0.39 8.37 -4.23 -1.26 -0.64 115.64 116.38 3cnl s THR 80 Ca 0.29 -1.34 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 3cnl s THR 80 Cb 0.05 -1.30 0.06 0.00 1.34 0.00 0.00 72.50 72.66 3cnl s THR 80 CO 0.10 -0.07 0.81 0.28 -0.54 0.00 0.00 174.62 175.20 3cnl s THR 81 N -1.10 0.00 0.19 3.99 -1.32 -0.81 -4.90 115.64 111.68 3cnl s THR 81 Ca 0.03 -0.98 -0.21 0.00 -1.21 0.00 0.00 61.69 59.33 3cnl s THR 81 Cb -0.10 -2.97 0.05 0.00 -1.51 0.00 0.00 72.50 67.97 3cnl s THR 81 CO 0.03 0.00 0.59 -1.38 -2.21 0.00 0.00 174.62 171.65 3cnl s HIS 82 N -2.14 -0.34 0.33 9.09 -3.43 -1.26 -2.30 115.29 115.24 3cnl s HIS 82 Ca 0.16 0.04 0.10 0.00 -0.80 0.00 0.00 55.06 54.56 3cnl s HIS 82 Cb -0.05 0.52 0.99 0.00 -1.43 0.00 0.00 32.58 32.61 3cnl s HIS 82 CO 0.12 -0.93 1.61 -0.22 -2.00 0.00 0.00 174.74 173.31 3cnl h LYS 83 N 2.08 0.10 -0.02 -0.38 3.64 -1.99 -1.99 116.57 118.01 3cnl h LYS 83 Ca -0.30 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3cnl h LYS 83 Cb 1.28 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3cnl h LYS 83 CO 0.36 0.07 0.00 0.41 -2.27 0.00 0.00 179.45 178.01 3cnl n GLY 84 N -1.36 0.20 3.72 5.01 0.00 -1.26 -4.88 105.19 106.62 3cnl n GLY 84 Ca 0.29 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3cnl n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cnl s GLU 85 N -2.00 4.60 0.48 1.61 2.12 -0.75 -5.00 118.70 119.76 3cnl s GLU 85 Ca 0.36 1.46 -0.23 0.00 0.36 0.00 0.00 54.97 56.92 3cnl s GLU 85 Cb 0.21 -3.42 -0.08 0.00 0.26 0.00 0.00 34.13 31.10 3cnl s GLU 85 CO 0.33 0.02 1.23 -2.30 -0.54 0.00 0.00 175.26 174.00 3cnl n PRO 86 N 3.51 1.66 -0.31 4.30 -0.02 -1.26 -4.79 135.00 138.09 3cnl n PRO 86 Ca 0.05 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 3cnl n PRO 86 Cb 0.50 -2.38 0.32 0.00 -0.02 0.00 0.00 33.50 31.92 3cnl n PRO 86 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3cnl h ARG 87 N 1.61 0.33 -0.85 -0.52 2.43 -1.94 -1.56 114.38 113.88 3cnl h ARG 87 Ca -0.48 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 3cnl h ARG 87 Cb 1.31 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.75 3cnl h ARG 87 CO 0.57 0.22 0.43 0.87 -1.51 0.00 0.00 179.97 180.55 3cnl h LYS 88 N 0.34 1.20 -0.24 0.20 6.56 -1.97 -1.59 116.57 121.06 3cnl h LYS 88 Ca 0.57 -0.16 -0.17 0.00 -1.06 0.00 0.00 60.65 59.84 3cnl h LYS 88 Cb 1.14 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 3cnl h LYS 88 CO -0.57 0.90 -0.50 0.28 -2.06 0.00 0.00 179.45 177.50 3cnl h VAL 89 N 1.20 1.30 -0.05 0.50 2.07 -1.66 -2.48 116.25 117.12 3cnl h VAL 89 Ca 0.29 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3cnl h VAL 89 Cb 0.08 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3cnl h VAL 89 CO -0.04 0.54 0.02 0.25 0.02 0.00 0.00 177.57 178.37 3cnl h LEU 90 N 0.50 0.04 -1.09 2.57 6.46 -1.19 -1.02 115.31 121.59 3cnl h LEU 90 Ca 0.01 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 57.70 3cnl h LEU 90 Cb 1.11 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 3cnl h LEU 90 CO 0.11 0.03 -0.10 -0.07 -0.62 0.00 0.00 178.44 177.79 3cnl h LEU 91 N 0.05 0.51 -0.40 2.25 3.38 -1.31 0.71 115.31 120.50 3cnl h LEU 91 Ca 0.02 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3cnl h LEU 91 Cb 0.00 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3cnl h LEU 91 CO -0.01 0.65 -0.08 0.50 0.09 0.00 0.00 178.44 179.58 3cnl h LYS 92 N 0.49 0.76 -0.58 1.13 3.11 -1.30 0.11 116.57 120.28 3cnl h LYS 92 Ca 0.09 -0.29 -0.01 0.00 -2.81 0.00 0.00 60.65 57.64 3cnl h LYS 92 Cb 0.48 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 3cnl h LYS 92 CO 0.03 0.89 0.32 0.87 -2.81 0.00 0.00 179.45 178.74 3cnl h LYS 93 N 0.57 0.81 -0.44 1.90 1.57 -0.63 -3.10 116.57 117.25 3cnl h LYS 93 Ca 0.10 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 3cnl h LYS 93 Cb 0.60 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 3cnl h LYS 93 CO 0.04 0.62 -0.24 -0.07 -0.57 0.00 0.00 179.45 179.22 3cnl h LEU 94 N 0.78 0.95 -3.61 2.94 3.38 -0.66 -3.48 115.31 115.62 3cnl h LEU 94 Ca 0.20 -0.37 -0.44 0.00 0.09 0.00 0.00 57.88 57.37 3cnl h LEU 94 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3cnl h LEU 94 CO -0.03 1.14 -0.89 -1.20 0.09 0.00 0.00 178.44 177.55 3cnl n SER 95 N -4.10 -3.73 -4.77 -0.43 7.64 0.36 -4.88 113.62 103.71 3cnl n SER 95 Ca -0.00 -0.91 -0.40 0.00 1.01 0.00 0.00 58.87 58.57 3cnl n SER 95 Cb 0.47 -1.30 -0.02 0.00 -1.01 0.00 0.00 64.21 62.34 3cnl n SER 95 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3cnl s PHE 96 N -3.15 3.08 0.72 1.43 0.08 -1.26 -5.02 117.98 113.85 3cnl s PHE 96 Ca 0.14 1.47 -0.15 0.00 0.12 0.00 0.00 56.93 58.52 3cnl s PHE 96 Cb -0.08 -3.59 0.03 0.00 -0.57 0.00 0.00 43.02 38.81 3cnl s PHE 96 CO 0.76 -1.66 1.17 0.34 -0.10 0.00 0.00 175.22 175.73 3cnl s ASP 97 N -0.67 4.46 0.42 1.36 2.15 -1.26 -4.93 116.67 118.21 3cnl s ASP 97 Ca 0.51 2.21 0.13 0.00 0.43 0.00 0.00 52.55 55.82 3cnl s ASP 97 Cb -0.37 -2.57 0.99 0.00 -0.30 0.00 0.00 42.92 40.66 3cnl s ASP 97 CO 0.49 -2.08 1.98 0.08 -0.17 0.00 0.00 175.17 175.47 3cnl h ARG 98 N -0.28 0.44 -0.24 4.34 0.11 -1.95 -1.77 114.38 115.04 3cnl h ARG 98 Ca -0.47 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3cnl h ARG 98 Cb 1.28 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3cnl h ARG 98 CO 0.51 0.29 0.00 1.28 0.10 0.00 0.00 179.97 182.15 3cnl n LEU 99 N -4.47 1.76 -4.75 0.08 4.77 -1.26 -4.47 117.00 108.65 3cnl n LEU 99 Ca 0.09 -0.79 -0.41 0.00 -0.03 0.00 0.00 56.01 54.87 3cnl n LEU 99 Cb 0.34 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3cnl n LEU 99 CO 0.34 0.40 1.12 0.00 -1.33 0.00 0.00 177.39 177.92 3cnl s ALA 100 N -1.69 3.63 -0.15 -1.18 0.00 -0.67 -4.95 121.76 116.75 3cnl s ALA 100 Ca 0.29 1.40 -0.00 0.00 0.00 0.00 0.00 51.96 53.65 3cnl s ALA 100 Cb 0.16 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.74 3cnl s ALA 100 CO 0.23 -0.82 -0.06 1.03 0.00 0.00 0.00 175.76 176.14 3cnl s ARG 101 N -0.77 1.47 -0.10 0.00 0.52 -1.26 -2.21 118.95 116.60 3cnl s ARG 101 Ca 0.58 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 3cnl s ARG 101 Cb -0.43 -1.90 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 3cnl s ARG 101 CO 0.48 -0.39 -0.11 0.08 0.02 0.00 0.00 175.30 175.38 3cnl s VAL 102 N 1.65 3.31 -0.18 3.52 1.01 0.28 -1.73 120.40 128.26 3cnl s VAL 102 Ca 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3cnl s VAL 102 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3cnl s VAL 102 CO -0.08 0.55 0.01 -0.22 0.00 0.00 0.00 175.10 175.36 3cnl s LEU 103 N -0.20 3.42 -0.15 3.92 2.96 -0.24 -1.69 118.68 126.71 3cnl s LEU 103 Ca 0.01 -0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 53.60 3cnl s LEU 103 Cb -0.13 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3cnl s LEU 103 CO 0.03 0.13 0.72 -0.63 -1.32 0.00 0.00 176.35 175.28 3cnl s ILE 104 N 0.60 4.98 0.06 6.68 -1.09 -1.26 -1.00 121.20 130.17 3cnl s ILE 104 Ca -0.00 1.42 0.01 0.00 -2.23 0.00 0.00 60.65 59.85 3cnl s ILE 104 Cb -0.14 -4.04 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3cnl s ILE 104 CO 0.02 0.13 -0.05 0.54 -1.23 0.00 0.00 174.94 174.35 3cnl s VAL 105 N 1.63 0.44 0.00 2.92 0.11 0.00 -1.02 120.40 124.48 3cnl s VAL 105 Ca 0.35 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 3cnl s VAL 105 Cb -0.17 -1.27 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 3cnl s VAL 105 CO 0.13 -0.79 0.00 0.61 -3.33 0.00 0.00 175.10 171.73 3cnl n GLY 106 N 0.47 0.69 3.80 6.54 0.00 -0.94 -0.39 105.19 115.37 3cnl n GLY 106 Ca -0.16 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 3cnl n GLY 106 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cnl s VAL 107 N -2.00 2.34 0.45 1.61 -7.23 -1.26 -0.32 120.40 114.00 3cnl s VAL 107 Ca 0.00 0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 60.04 3cnl s VAL 107 Cb 0.00 -2.88 -0.09 0.00 0.56 0.00 0.00 36.38 33.97 3cnl s VAL 107 CO 0.00 -0.14 1.16 -2.65 -0.31 0.00 0.00 175.10 173.16 3cnl n PRO 108 N -3.62 1.61 -0.75 4.82 -0.02 -1.26 -3.74 135.00 132.04 3cnl n PRO 108 Ca 0.07 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3cnl n PRO 108 Cb 0.58 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3cnl n PRO 108 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3cnl n ASN 109 N 0.08 0.00 0.00 2.55 5.15 -1.26 -4.21 115.26 117.56 3cnl n ASN 109 Ca 0.09 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.20 3cnl n ASN 109 Cb 0.41 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 40.28 3cnl n ASN 109 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3cnl n THR 110 N -2.00 0.15 0.00 -0.44 -2.24 -1.25 -4.86 114.28 103.64 3cnl n THR 110 Ca 0.00 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3cnl n THR 110 Cb 0.00 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 3cnl n THR 110 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cnl n GLY 111 N 1.15 1.80 0.22 3.38 0.00 -1.26 -4.72 105.19 105.75 3cnl n GLY 111 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3cnl n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cnl h LYS 112 N 0.00 0.73 -0.58 1.61 1.57 -1.93 -1.33 116.57 116.63 3cnl h LYS 112 Ca 0.00 -0.40 -0.10 0.00 -1.87 0.00 0.00 60.65 58.28 3cnl h LYS 112 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3cnl h LYS 112 CO 0.00 1.02 -0.02 0.77 -0.57 0.00 0.00 179.45 180.65 3cnl h SER 113 N 0.47 1.01 -0.40 0.86 0.02 -1.99 -1.71 113.55 111.81 3cnl h SER 113 Ca 0.04 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3cnl h SER 113 Cb 0.91 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3cnl h SER 113 CO 0.08 1.08 0.23 0.74 -1.14 0.00 0.00 176.83 177.82 3cnl h THR 114 N 0.92 1.14 -0.34 -2.27 2.02 -1.97 -0.72 112.91 111.69 3cnl h THR 114 Ca 0.16 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 3cnl h THR 114 Cb 0.58 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3cnl h THR 114 CO 0.03 0.15 0.21 0.40 0.37 0.00 0.00 175.52 176.67 3cnl h ILE 115 N 0.52 1.11 -0.64 3.11 2.04 -1.08 -2.13 117.51 120.45 3cnl h ILE 115 Ca 0.14 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.77 3cnl h ILE 115 Cb 0.03 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3cnl h ILE 115 CO -0.02 0.11 0.40 0.40 0.00 0.00 0.00 178.15 179.04 3cnl h ILE 116 N 0.44 1.10 -0.61 -0.67 2.04 -1.17 -0.59 117.51 118.05 3cnl h ILE 116 Ca 0.12 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3cnl h ILE 116 Cb 0.00 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 3cnl h ILE 116 CO -0.02 0.14 0.38 0.78 0.00 0.00 0.00 178.15 179.43 3cnl h ASN 117 N 0.79 0.64 0.33 1.72 2.35 -0.93 0.30 115.58 120.78 3cnl h ASN 117 Ca 0.25 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3cnl h ASN 117 Cb -0.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3cnl h ASN 117 CO -0.09 0.45 -0.16 0.50 -1.65 0.00 0.00 177.43 176.48 3cnl h LYS 118 N 0.76 -0.42 -0.74 0.81 3.64 -1.09 -0.93 116.57 118.60 3cnl h LYS 118 Ca 0.24 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.74 3cnl h LYS 118 Cb -0.01 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3cnl h LYS 118 CO -0.09 -0.27 0.38 -0.07 -2.27 0.00 0.00 179.45 177.14 3cnl h LEU 119 N -0.46 0.50 0.28 5.20 4.07 -0.80 -3.29 115.31 120.82 3cnl h LEU 119 Ca -0.04 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3cnl h LEU 119 Cb 0.35 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3cnl h LEU 119 CO 0.07 0.28 -0.14 0.50 -1.08 0.00 0.00 178.44 178.08 3cnl h LYS 120 N 0.64 -0.37 0.00 1.13 3.64 -0.32 -3.48 116.57 117.81 3cnl h LYS 120 Ca 0.36 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3cnl h LYS 120 Cb 0.38 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3cnl h LYS 120 CO -0.27 -0.24 0.00 0.41 -2.27 0.00 0.00 179.45 177.08 3cnl n GLY 121 N 0.70 -0.34 0.00 5.01 0.00 -0.36 -3.63 105.19 106.56 3cnl n GLY 121 Ca -0.05 -1.12 0.12 0.00 0.00 0.00 0.00 46.02 44.97 3cnl n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cnl n LYS 122 N 1.01 0.48 -1.22 1.61 5.02 -1.26 -4.81 118.16 118.99 3cnl n LYS 122 Ca 0.00 0.04 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 3cnl n LYS 122 Cb 0.00 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.65 3cnl n LYS 122 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3cnl s ARG 123 N -2.36 1.26 0.00 1.97 3.52 -1.24 -5.28 118.95 116.82 3cnl s ARG 123 Ca 0.27 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 56.67 3cnl s ARG 123 Cb 0.16 -1.81 0.00 0.00 -1.56 0.00 0.00 34.95 31.74 3cnl s ARG 123 CO 0.32 -2.23 0.00 0.00 -0.81 0.00 0.00 175.30 172.58 3cnl n ALA 124 N -3.87 0.00 -3.17 6.12 0.00 -1.26 -4.99 120.51 113.34 3cnl n ALA 124 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 3cnl n ALA 124 Cb 0.55 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.07 3cnl n ALA 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3cnl n LYS 135 N 0.00 -3.69 0.00 0.00 4.81 -1.26 -4.69 118.16 113.33 3cnl n LYS 135 Ca 0.00 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3cnl n LYS 135 Cb 0.00 -5.47 0.00 0.00 0.02 0.00 0.00 35.03 29.58 3cnl n LYS 135 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cnl n GLY 136 N -1.20 -0.08 3.76 3.14 0.00 -1.26 -4.78 105.19 104.77 3cnl n GLY 136 Ca -0.15 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3cnl n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cnl s ILE 137 N 0.00 2.30 0.10 -0.61 1.09 -1.26 -5.02 121.20 117.81 3cnl s ILE 137 Ca 0.00 0.26 0.05 0.00 -1.10 0.00 0.00 60.65 59.86 3cnl s ILE 137 Cb 0.00 -3.17 -0.04 0.00 -1.06 0.00 0.00 42.46 38.19 3cnl s ILE 137 CO 0.00 0.05 0.03 -1.10 -0.10 0.00 0.00 174.94 173.82 3cnl s GLN 138 N -0.85 2.64 0.30 2.79 -1.52 -1.26 -4.98 119.66 116.78 3cnl s GLN 138 Ca 0.59 -0.83 -0.08 0.00 -1.95 0.00 0.00 55.36 53.09 3cnl s GLN 138 Cb -0.45 -2.57 -0.06 0.00 -0.22 0.00 0.00 33.01 29.70 3cnl s GLN 138 CO 0.50 0.53 0.60 -1.58 -0.25 0.00 0.00 175.29 175.09 3cnl s TRP 139 N -1.41 3.46 0.20 0.91 0.52 -1.26 -0.19 118.94 121.16 3cnl s TRP 139 Ca 0.27 0.81 0.11 0.00 0.02 0.00 0.00 56.10 57.31 3cnl s TRP 139 Cb -0.11 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 29.93 3cnl s TRP 139 CO 0.20 0.13 -0.22 -0.59 0.02 0.00 0.00 176.95 176.49 3cnl s PHE 140 N -2.07 2.19 0.00 -1.98 -0.71 -0.29 -4.85 117.98 110.27 3cnl s PHE 140 Ca 0.47 -0.38 0.05 0.00 -1.04 0.00 0.00 56.93 56.03 3cnl s PHE 140 Cb -0.11 -1.07 -0.03 0.00 -1.21 0.00 0.00 43.02 40.60 3cnl s PHE 140 CO 0.27 0.48 -0.15 -1.12 -1.34 0.00 0.00 175.22 173.37 3cnl s SER 141 N -2.76 3.98 1.08 1.98 0.01 -1.26 -0.38 113.70 116.36 3cnl s SER 141 Ca 0.21 -0.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.99 3cnl s SER 141 Cb -0.07 -0.76 0.24 0.00 0.21 0.00 0.00 66.02 65.64 3cnl s SER 141 CO 0.10 0.29 1.20 -0.76 0.41 0.00 0.00 173.24 174.48 3cnl s LEU 142 N -1.17 1.63 0.20 2.44 1.43 0.79 -4.94 118.68 119.07 3cnl s LEU 142 Ca 0.14 0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 53.64 3cnl s LEU 142 Cb -0.11 -2.44 0.12 0.00 0.03 0.00 0.00 46.19 43.80 3cnl s LEU 142 CO 0.04 -3.41 1.86 -0.33 0.23 0.00 0.00 176.35 174.73 3cnl h GLU 143 N -2.10 0.89 0.00 1.70 5.08 -1.98 -2.79 114.58 115.38 3cnl h GLU 143 Ca -0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 3cnl h GLU 143 Cb 1.27 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3cnl h GLU 143 CO 0.38 0.60 0.00 0.27 -1.00 0.00 0.00 179.01 179.27 3cnl n ASN 144 N -4.60 0.00 0.00 1.42 2.04 -1.26 -4.90 115.26 107.95 3cnl n ASN 144 Ca 0.06 -1.57 0.00 0.00 -0.44 0.00 0.00 54.58 52.62 3cnl n ASN 144 Cb 0.03 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.28 3cnl n ASN 144 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3cnl n GLY 145 N 0.48 3.29 3.73 4.83 0.00 -1.05 -4.99 105.19 111.48 3cnl n GLY 145 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3cnl n GLY 145 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cnl n VAL 146 N -2.00 1.23 -3.78 1.61 0.24 -1.26 -4.61 118.33 109.77 3cnl n VAL 146 Ca 0.00 -0.31 -0.35 0.00 -2.04 0.00 0.00 64.34 61.64 3cnl n VAL 146 Cb 0.00 -1.83 -0.08 0.00 -1.47 0.00 0.00 33.84 30.47 3cnl n VAL 146 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3cnl s LYS 147 N -0.83 4.07 -0.12 7.34 1.02 -0.94 -0.15 119.74 130.14 3cnl s LYS 147 Ca 0.63 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.42 3cnl s LYS 147 Cb -0.53 -3.37 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 3cnl s LYS 147 CO 0.52 0.36 -0.18 0.42 -0.92 0.00 0.00 175.35 175.55 3cnl s ILE 148 N 0.18 1.71 0.20 2.17 1.01 0.49 -0.56 121.20 126.40 3cnl s ILE 148 Ca 0.08 -0.77 -0.33 0.00 0.00 0.00 0.00 60.65 59.64 3cnl s ILE 148 Cb -0.11 -1.54 -0.13 0.00 0.01 0.00 0.00 42.46 40.69 3cnl s ILE 148 CO -0.01 0.48 1.60 0.18 0.00 0.00 0.00 174.94 177.20 3cnl n LEU 149 N 4.14 3.49 -0.02 2.97 4.77 -0.68 -1.14 117.00 130.54 3cnl n LEU 149 Ca -0.19 1.09 0.15 0.00 -0.03 0.00 0.00 56.01 57.03 3cnl n LEU 149 Cb 0.51 -1.49 0.84 0.00 -2.33 0.00 0.00 43.42 40.95 3cnl n LEU 149 CO 0.25 -0.13 1.05 -0.90 -1.33 0.00 0.00 177.39 176.34 3cnl n ASP 150 N 3.31 0.06 -4.16 -1.43 5.75 0.73 -4.69 116.55 116.12 3cnl n ASP 150 Ca 0.15 -0.60 -0.28 0.00 -0.01 0.00 0.00 54.79 54.05 3cnl n ASP 150 Cb 0.32 -0.13 -0.16 0.00 -1.03 0.00 0.00 41.12 40.11 3cnl n ASP 150 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3cnl s THR 151 N -2.28 1.63 0.56 2.12 -4.23 -1.26 -5.01 115.64 107.16 3cnl s THR 151 Ca 0.38 -0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 59.93 3cnl s THR 151 Cb 0.21 -1.40 -0.06 0.00 1.34 0.00 0.00 72.50 72.59 3cnl s THR 151 CO 0.42 0.46 1.01 -2.16 -0.54 0.00 0.00 174.62 173.81 3cnl s PRO 152 N 0.12 3.72 0.03 3.99 0.04 -1.26 -4.73 135.00 136.91 3cnl s PRO 152 Ca -0.08 0.95 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 3cnl s PRO 152 Cb -0.14 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 3cnl s PRO 152 CO 0.04 -0.46 0.70 0.20 0.04 0.00 0.00 177.00 177.51 3cnl s GLY 153 N -3.30 2.72 -0.21 0.56 0.00 -0.19 -5.00 107.32 101.90 3cnl s GLY 153 Ca 0.59 0.18 -0.06 0.00 0.00 0.00 0.00 44.72 45.43 3cnl s GLY 153 CO 0.38 0.94 0.02 -0.42 0.00 0.00 0.00 173.10 174.02 3cnl s ILE 154 N -0.17 4.06 -0.28 0.90 1.01 -1.26 -2.21 121.20 123.25 3cnl s ILE 154 Ca 0.35 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 3cnl s ILE 154 Cb -0.20 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3cnl s ILE 154 CO 0.21 0.41 0.25 -0.22 0.00 0.00 0.00 174.94 175.58 3cnl s LEU 155 N 1.13 4.06 -0.31 2.97 1.98 0.57 -4.64 118.68 124.43 3cnl s LEU 155 Ca 0.03 0.04 -0.10 0.00 -2.89 0.00 0.00 54.13 51.22 3cnl s LEU 155 Cb -0.14 -2.21 -0.01 0.00 0.66 0.00 0.00 46.19 44.49 3cnl s LEU 155 CO 0.02 -0.10 0.15 -0.31 -1.89 0.00 0.00 176.35 174.22 3cnl s TYR 156 N 1.85 3.18 0.36 5.38 2.02 -1.26 -4.12 117.35 124.76 3cnl s TYR 156 Ca 0.09 -0.59 0.08 0.00 -0.37 0.00 0.00 57.07 56.28 3cnl s TYR 156 Cb -0.16 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.01 3cnl s TYR 156 CO 0.11 -0.46 0.19 -1.59 -1.57 0.00 0.00 175.55 172.23 3cnl s LYS 157 N 1.61 2.41 -0.17 -0.62 -2.85 -1.26 -4.73 119.74 114.12 3cnl s LYS 157 Ca 0.04 -1.57 -0.29 0.00 -1.00 0.00 0.00 55.97 53.16 3cnl s LYS 157 Cb -0.17 -2.20 -0.02 0.00 -2.06 0.00 0.00 37.83 33.38 3cnl s LYS 157 CO 0.06 0.04 1.32 1.21 0.10 0.00 0.00 175.35 178.08 3cnl s ASN 158 N -3.90 6.88 -0.54 0.03 2.47 -1.26 -4.99 114.94 113.62 3cnl s ASN 158 Ca 0.40 1.71 -0.15 0.00 0.42 0.00 0.00 52.86 55.24 3cnl s ASN 158 Cb -0.02 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.38 3cnl s ASN 158 CO 0.24 -0.82 0.49 -0.63 -3.72 0.00 0.00 177.10 172.66 3cnl s ILE 159 N 3.68 5.09 -0.11 -5.21 1.01 -1.26 -4.85 121.20 119.55 3cnl s ILE 159 Ca 0.57 -1.58 0.16 0.00 0.00 0.00 0.00 60.65 59.81 3cnl s ILE 159 Cb -0.23 -4.27 -0.21 0.00 0.01 0.00 0.00 42.46 37.76 3cnl s ILE 159 CO 0.17 -0.86 0.55 2.22 0.00 0.00 0.00 174.94 177.02 3cnl n PHE 160 N 5.15 0.66 -4.21 3.97 1.16 -1.26 -4.98 117.46 117.96 3cnl n PHE 160 Ca -0.12 0.23 -0.27 0.00 -1.87 0.00 0.00 57.45 55.42 3cnl n PHE 160 Cb 0.40 -1.06 -0.08 0.00 -1.61 0.00 0.00 39.48 37.14 3cnl n PHE 160 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3cnl s SER 161 N -5.72 4.73 0.16 5.98 1.04 -1.26 -5.02 113.70 113.61 3cnl s SER 161 Ca -0.06 -0.39 -0.09 0.00 0.48 0.00 0.00 55.95 55.90 3cnl s SER 161 Cb 0.08 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 65.21 3cnl s SER 161 CO 0.83 0.10 1.49 -0.08 0.98 0.00 0.00 173.24 176.56 3cnl h GLU 162 N 2.85 0.85 -0.57 4.02 4.81 -1.99 -2.85 114.58 121.70 3cnl h GLU 162 Ca -0.47 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.27 3cnl h GLU 162 Cb 1.20 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 3cnl h GLU 162 CO 0.57 1.10 0.24 0.22 -0.73 0.00 0.00 179.01 180.42 3cnl h ASP 163 N 0.69 0.77 -0.40 1.04 3.58 -1.96 -0.57 116.42 119.57 3cnl h ASP 163 Ca 0.05 -0.16 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 3cnl h ASP 163 Cb 1.00 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 3cnl h ASP 163 CO 0.10 0.72 0.15 0.25 -2.88 0.00 0.00 179.24 177.58 3cnl h LEU 164 N 0.78 0.57 -0.60 2.28 5.85 -1.98 -1.44 115.31 120.77 3cnl h LEU 164 Ca 0.19 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3cnl h LEU 164 Cb 0.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3cnl h LEU 164 CO -0.02 0.59 0.39 0.00 -0.34 0.00 0.00 178.44 179.06 3cnl h ALA 165 N 1.00 0.76 -0.50 1.25 0.00 -1.35 -1.16 119.26 119.25 3cnl h ALA 165 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cnl h ALA 165 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cnl h ALA 165 CO -0.01 0.20 0.32 0.00 0.00 0.00 0.00 179.25 179.76 3cnl h ALA 166 N 1.21 0.64 -0.38 0.00 0.00 -0.88 0.61 119.26 120.45 3cnl h ALA 166 Ca 0.22 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 3cnl h ALA 166 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3cnl h ALA 166 CO -0.05 0.11 -0.14 0.87 0.00 0.00 0.00 179.25 180.04 3cnl h LYS 167 N 0.67 0.77 -0.34 0.00 1.57 -1.07 -1.50 116.57 116.68 3cnl h LYS 167 Ca 0.18 -0.32 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3cnl h LYS 167 Cb -0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3cnl h LYS 167 CO -0.04 0.93 0.04 -0.07 -0.57 0.00 0.00 179.45 179.74 3cnl h LEU 168 N 0.57 0.47 -0.39 2.94 3.38 -1.07 -2.25 115.31 118.97 3cnl h LEU 168 Ca 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3cnl h LEU 168 Cb 0.67 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3cnl h LEU 168 CO 0.05 0.51 0.22 0.25 0.09 0.00 0.00 178.44 179.56 3cnl h LEU 169 N 0.50 0.48 -1.55 1.67 5.85 -0.54 -0.23 115.31 121.49 3cnl h LEU 169 Ca 0.11 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3cnl h LEU 169 Cb 0.26 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3cnl h LEU 169 CO 0.00 0.41 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.30 3cnl h LEU 170 N 0.50 0.10 -1.63 2.25 3.38 -0.82 -1.91 115.31 117.19 3cnl h LEU 170 Ca 0.14 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3cnl h LEU 170 Cb 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3cnl h LEU 170 CO -0.02 0.26 0.00 1.33 0.09 0.00 0.00 178.44 180.10 3cnl n VAL 171 N -4.31 0.44 -1.07 1.22 0.24 -0.89 -3.04 118.33 110.92 3cnl n VAL 171 Ca -0.02 -0.55 -0.02 0.00 -2.04 0.00 0.00 64.34 61.71 3cnl n VAL 171 Cb 0.24 0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 33.10 3cnl n VAL 171 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cnl n GLY 172 N 1.27 0.54 0.10 7.63 0.00 -0.72 -4.86 105.19 109.14 3cnl n GLY 172 Ca 0.17 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 3cnl n GLY 172 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3cnl h SER 173 N 0.00 0.26 -3.29 1.61 0.87 -1.24 -3.44 113.55 108.33 3cnl h SER 173 Ca -0.05 -0.26 -0.66 0.00 -1.23 0.00 0.00 61.79 59.58 3cnl h SER 173 Cb 0.39 -0.08 -0.30 0.00 -0.44 0.00 0.00 62.40 61.96 3cnl h SER 173 CO 0.07 1.17 -0.77 -0.22 -0.53 0.00 0.00 176.83 176.55 3cnl s LEU 174 N -7.10 2.65 0.46 2.23 2.96 -0.74 -4.66 118.68 114.48 3cnl s LEU 174 Ca -0.02 -0.49 -0.24 0.00 -0.22 0.00 0.00 54.13 53.16 3cnl s LEU 174 Cb 0.09 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 45.05 3cnl s LEU 174 CO 0.85 -0.02 1.28 -2.84 -1.32 0.00 0.00 176.35 174.30 3cnl s PRO 175 N 1.41 3.66 0.37 0.98 0.02 -1.26 -4.26 135.00 135.92 3cnl s PRO 175 Ca 0.05 2.07 0.12 0.00 0.02 0.00 0.00 61.00 63.26 3cnl s PRO 175 Cb -0.14 -2.50 0.91 0.00 0.02 0.00 0.00 34.50 32.79 3cnl s PRO 175 CO -0.07 -0.72 1.83 0.28 -0.33 0.00 0.00 177.00 178.00 3cnl h VAL 176 N 1.99 0.72 -0.19 3.83 2.07 -1.95 -1.25 116.25 121.47 3cnl h VAL 176 Ca -0.50 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 66.87 3cnl h VAL 176 Cb 1.26 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3cnl h VAL 176 CO 0.60 0.11 0.14 -0.33 0.02 0.00 0.00 177.57 178.11 3cnl h GLU 177 N 0.59 0.00 -0.00 1.57 3.07 -2.00 -1.59 114.58 116.21 3cnl h GLU 177 Ca 0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.36 3cnl h GLU 177 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3cnl h GLU 177 CO -0.25 0.00 -0.16 -2.13 -1.40 0.00 0.00 179.01 175.07 3cnl n ARG 178 N -4.44 0.15 -3.20 2.33 3.00 -0.47 -4.83 116.66 109.20 3cnl n ARG 178 Ca 0.02 -0.04 -0.40 0.00 -0.00 0.00 0.00 57.85 57.43 3cnl n ARG 178 Cb 0.28 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.17 3cnl n ARG 178 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3cnl s ILE 179 N -2.88 5.07 -0.33 5.15 -1.09 -0.60 -4.93 121.20 121.59 3cnl s ILE 179 Ca 0.17 1.02 0.09 0.00 -2.23 0.00 0.00 60.65 59.70 3cnl s ILE 179 Cb 0.19 -3.88 -0.11 0.00 -1.58 0.00 0.00 42.46 37.08 3cnl s ILE 179 CO 0.57 0.14 0.34 -0.62 -1.23 0.00 0.00 174.94 174.13 3cnl n GLU 180 N 5.01 3.16 -4.36 2.79 1.02 -1.26 -4.93 120.64 122.06 3cnl n GLU 180 Ca -0.03 -0.02 -0.33 0.00 -0.02 0.00 0.00 57.16 56.75 3cnl n GLU 180 Cb 0.50 -0.99 -0.15 0.00 -0.02 0.00 0.00 31.44 30.78 3cnl n GLU 180 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3cnl s ASP 181 N -2.13 3.73 0.58 1.62 -1.08 -1.26 -5.00 116.67 113.13 3cnl s ASP 181 Ca 0.02 -0.47 0.34 0.00 -0.52 0.00 0.00 52.55 51.92 3cnl s ASP 181 Cb 0.07 -1.59 1.75 0.00 -1.46 0.00 0.00 42.92 41.69 3cnl s ASP 181 CO 0.37 0.06 2.16 0.06 0.52 0.00 0.00 175.17 178.34 3cnl h GLN 182 N 7.51 0.00 0.00 4.34 3.07 -2.01 -1.97 115.11 126.04 3cnl h GLN 182 Ca -0.36 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.36 3cnl h GLN 182 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.73 3cnl h GLN 182 CO 0.59 0.05 -0.11 0.00 0.09 0.00 0.00 178.83 179.44 3cnl h ARG 183 N 0.00 0.00 -0.30 0.06 3.08 -1.99 -1.32 114.38 113.91 3cnl h ARG 183 Ca -0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 3cnl h ARG 183 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3cnl h ARG 183 CO 0.01 0.11 -0.42 0.82 -1.07 0.00 0.00 179.97 179.43 3cnl h ILE 184 N 0.00 1.29 -0.45 2.04 2.04 -1.69 -0.12 117.51 120.62 3cnl h ILE 184 Ca -0.00 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 3cnl h ILE 184 Cb 0.32 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3cnl h ILE 184 CO 0.01 0.52 0.27 -0.26 0.00 0.00 0.00 178.15 178.69 3cnl h PHE 185 N 0.59 0.60 -0.47 1.37 0.04 -1.52 -1.45 116.94 116.10 3cnl h PHE 185 Ca 0.03 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3cnl h PHE 185 Cb 1.01 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.94 3cnl h PHE 185 CO 0.07 0.43 0.30 0.93 -0.60 0.00 0.00 178.31 179.44 3cnl h GLU 186 N 0.60 0.59 -0.11 1.51 5.08 -1.21 -0.92 114.58 120.12 3cnl h GLU 186 Ca 0.16 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3cnl h GLU 186 Cb 0.01 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3cnl h GLU 186 CO -0.03 0.39 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.22 3cnl h ARG 187 N 0.61 -0.05 -0.53 2.33 1.12 -0.92 0.11 114.38 117.04 3cnl h ARG 187 Ca 0.18 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 59.09 3cnl h ARG 187 Cb -0.04 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.89 3cnl h ARG 187 CO -0.05 -0.04 0.29 0.00 -3.11 0.00 0.00 179.97 177.06 3cnl h ALA 188 N 1.04 0.69 -0.52 2.80 0.00 -1.12 -0.55 119.26 121.59 3cnl h ALA 188 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3cnl h ALA 188 Cb 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3cnl h ALA 188 CO -0.14 -0.03 0.24 0.35 0.00 0.00 0.00 179.25 179.67 3cnl h PHE 189 N 0.57 0.76 -0.47 0.00 3.57 -0.86 -0.84 116.94 119.67 3cnl h PHE 189 Ca 0.23 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3cnl h PHE 189 Cb 0.09 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 3cnl h PHE 189 CO -0.08 0.60 0.14 1.49 -2.23 0.00 0.00 178.31 178.23 3cnl h GLU 190 N 0.70 0.29 -0.28 1.11 4.81 -0.32 0.58 114.58 121.46 3cnl h GLU 190 Ca 0.18 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3cnl h GLU 190 Cb 0.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3cnl h GLU 190 CO -0.02 0.19 0.15 0.82 -0.73 0.00 0.00 179.01 179.42 3cnl h ILE 191 N 0.30 1.12 0.22 2.32 2.04 -0.94 -0.03 117.51 122.55 3cnl h ILE 191 Ca 0.23 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3cnl h ILE 191 Cb 0.26 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3cnl h ILE 191 CO -0.26 0.12 -0.21 0.15 0.00 0.00 0.00 178.15 177.95 3cnl h PHE 192 N 0.33 -0.56 -0.38 1.37 3.57 -0.54 -1.20 116.94 119.53 3cnl h PHE 192 Ca 0.10 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3cnl h PHE 192 Cb 0.06 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3cnl h PHE 192 CO -0.03 -0.32 0.16 0.00 -2.23 0.00 0.00 178.31 175.89 3cnl h ALA 193 N 0.25 0.45 -0.57 2.41 0.00 0.35 -1.10 119.26 121.05 3cnl h ALA 193 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3cnl h ALA 193 Cb 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3cnl h ALA 193 CO -0.04 -0.22 0.37 0.00 0.00 0.00 0.00 179.25 179.35 3cnl h ARG 194 N 0.33 0.73 0.00 0.00 3.08 -0.95 0.16 114.38 117.73 3cnl h ARG 194 Ca 0.17 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3cnl h ARG 194 Cb 0.11 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3cnl h ARG 194 CO -0.15 0.48 0.00 0.77 -1.07 0.00 0.00 179.97 180.01 3cnl h SER 195 N 0.75 0.00 0.00 7.04 0.02 -0.03 -3.09 113.55 118.25 3cnl h SER 195 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3cnl h SER 195 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3cnl h SER 195 CO -0.06 0.00 -0.53 0.00 -1.14 0.00 0.00 176.83 175.10 3cnl n ILE 196 N -2.68 0.00 0.00 3.27 3.06 -0.61 -4.81 119.36 117.59 3cnl n ILE 196 Ca 0.01 -0.29 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 3cnl n ILE 196 Cb 0.28 0.78 0.00 0.00 0.54 0.00 0.00 39.64 41.24 3cnl n ILE 196 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3cnl n GLY 197 N 1.54 2.51 3.58 4.50 0.00 0.45 -5.07 105.19 112.71 3cnl n GLY 197 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3cnl n GLY 197 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3cnl n ILE 198 N -1.28 1.62 -4.21 -0.61 5.41 -0.45 -4.92 119.36 114.93 3cnl n ILE 198 Ca 0.00 -0.41 -0.27 0.00 1.00 0.00 0.00 62.75 63.07 3cnl n ILE 198 Cb 0.00 -0.94 -0.17 0.00 -0.71 0.00 0.00 39.64 37.83 3cnl n ILE 198 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3cnl s GLU 199 N -1.13 1.88 -0.09 0.38 2.02 -1.26 -4.26 118.70 116.24 3cnl s GLU 199 Ca 0.63 -0.42 -0.30 0.00 0.02 0.00 0.00 54.97 54.90 3cnl s GLU 199 Cb -0.75 -1.72 0.12 0.00 0.10 0.00 0.00 34.13 31.87 3cnl s GLU 199 CO 0.57 -0.15 0.98 -1.54 0.02 0.00 0.00 175.26 175.14 3cnl s SER 200 N 1.27 -0.33 0.51 -0.19 1.04 -1.26 -5.16 113.70 109.58 3cnl s SER 200 Ca -0.02 0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.36 3cnl s SER 200 Cb -0.14 0.31 -0.07 0.00 0.10 0.00 0.00 66.02 66.22 3cnl s SER 200 CO -0.05 -0.46 1.06 -0.94 0.98 0.00 0.00 173.24 173.84 3cnl s SER 201 N -1.93 6.13 0.15 7.02 1.04 -1.26 -4.91 113.70 119.95 3cnl s SER 201 Ca 0.03 1.98 -0.22 0.00 0.48 0.00 0.00 55.95 58.21 3cnl s SER 201 Cb -0.01 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.57 3cnl s SER 201 CO -0.05 -0.93 1.64 0.15 0.98 0.00 0.00 173.24 175.03 3cnl h PHE 202 N 1.36 -0.60 -0.50 5.02 3.57 -1.99 -0.82 116.94 122.97 3cnl h PHE 202 Ca -0.49 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.08 3cnl h PHE 202 Cb 1.23 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.23 3cnl h PHE 202 CO 0.56 -0.30 0.27 0.77 -2.23 0.00 0.00 178.31 177.38 3cnl h SER 203 N -0.24 0.42 -0.49 0.41 0.02 -1.99 -2.18 113.55 109.50 3cnl h SER 203 Ca 0.13 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3cnl h SER 203 Cb 0.44 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3cnl h SER 203 CO -0.36 0.29 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.19 3cnl h GLU 204 N 0.54 0.93 -0.35 3.45 5.08 -1.91 -2.29 114.58 120.02 3cnl h GLU 204 Ca 0.21 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3cnl h GLU 204 Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3cnl h GLU 204 CO -0.13 1.00 0.23 0.35 -1.00 0.00 0.00 179.01 179.47 3cnl h PHE 205 N 0.78 0.44 0.00 4.33 3.57 -0.86 -2.00 116.94 123.20 3cnl h PHE 205 Ca 0.12 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3cnl h PHE 205 Cb 0.65 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3cnl h PHE 205 CO 0.05 0.27 -0.34 0.74 -2.23 0.00 0.00 178.31 176.80 3cnl h PHE 206 N 0.47 0.00 -0.14 0.41 0.04 -1.40 -0.34 116.94 115.99 3cnl h PHE 206 Ca 0.13 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 3cnl h PHE 206 Cb -0.05 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 3cnl h PHE 206 CO -0.05 0.34 -0.09 1.49 -0.60 0.00 0.00 178.31 179.40 3cnl h GLU 207 N 0.00 0.31 -0.63 1.51 4.22 -1.39 -2.36 114.58 116.23 3cnl h GLU 207 Ca -0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.29 3cnl h GLU 207 Cb 1.26 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 3cnl h GLU 207 CO 0.04 0.65 0.39 0.22 -2.18 0.00 0.00 179.01 178.14 3cnl h ASP 208 N -0.05 0.75 -0.70 1.04 3.58 -1.24 -2.08 116.42 117.73 3cnl h ASP 208 Ca 0.03 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.45 3cnl h ASP 208 Cb 0.57 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.39 3cnl h ASP 208 CO 0.02 0.57 0.45 0.15 -2.88 0.00 0.00 179.24 177.56 3cnl h PHE 209 N 0.86 0.85 -0.17 0.28 3.57 -1.11 0.71 116.94 121.94 3cnl h PHE 209 Ca 0.23 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3cnl h PHE 209 Cb -0.05 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 3cnl h PHE 209 CO -0.02 0.52 -0.23 0.00 -2.23 0.00 0.00 178.31 176.35 3cnl h ALA 210 N 1.27 1.30 0.04 2.41 0.00 -1.17 -2.27 119.26 120.85 3cnl h ALA 210 Ca 0.27 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3cnl h ALA 210 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3cnl h ALA 210 CO -0.08 0.47 -0.02 0.00 0.00 0.00 0.00 179.25 179.62 3cnl h ARG 211 N 0.27 -0.06 0.00 0.00 3.08 -1.12 0.52 114.38 117.08 3cnl h ARG 211 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3cnl h ARG 211 Cb 0.56 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3cnl h ARG 211 CO 0.04 0.59 0.06 0.87 -1.07 0.00 0.00 179.97 180.46 3cnl h LYS 212 N -0.87 0.00 -0.08 0.04 1.79 -0.72 -1.73 116.57 115.00 3cnl h LYS 212 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3cnl h LYS 212 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 3cnl h LYS 212 CO 0.01 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.92 3cnl n ARG 213 N -2.38 1.19 -2.43 3.15 5.12 -0.87 -5.02 116.66 115.43 3cnl n ARG 213 Ca -0.02 -1.26 -0.13 0.00 -1.93 0.00 0.00 57.85 54.52 3cnl n ARG 213 Cb 0.10 -1.12 0.01 0.00 -1.16 0.00 0.00 32.46 30.28 3cnl n ARG 213 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cnl n GLY 214 N 0.19 -0.10 3.33 -0.13 0.00 -0.65 -4.98 105.19 102.85 3cnl n GLY 214 Ca 0.04 -0.31 -0.46 0.00 0.00 0.00 0.00 46.02 45.30 3cnl n GLY 214 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cnl s LEU 215 N -3.84 5.94 -0.01 0.99 1.43 0.18 -5.01 118.68 118.36 3cnl s LEU 215 Ca 0.07 -1.65 0.04 0.00 -1.03 0.00 0.00 54.13 51.56 3cnl s LEU 215 Cb -0.03 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3cnl s LEU 215 CO 0.09 -0.89 -0.12 -0.76 0.23 0.00 0.00 176.35 174.90 3cnl s LEU 216 N 1.84 1.99 0.00 1.79 1.43 -1.26 -1.13 118.68 123.34 3cnl s LEU 216 Ca 0.05 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3cnl s LEU 216 Cb -0.28 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.31 3cnl s LEU 216 CO 0.04 0.14 0.00 0.29 0.23 0.00 0.00 176.35 177.06 3cnl n LYS 217 N 2.86 0.64 -1.76 1.70 5.02 0.31 -4.77 118.16 122.16 3cnl n LYS 217 Ca -0.15 -0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.73 3cnl n LYS 217 Cb 0.55 -0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.58 3cnl n LYS 217 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cnl n LYS 218 N -1.01 2.16 -0.60 1.97 4.76 -1.26 -1.88 118.16 122.30 3cnl n LYS 218 Ca 0.00 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 3cnl n LYS 218 Cb 0.00 -2.62 0.00 0.00 -1.84 0.00 0.00 35.03 30.57 3cnl n LYS 218 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cnl n GLY 219 N 0.61 1.02 2.59 0.72 0.00 -1.26 -3.51 105.19 105.35 3cnl n GLY 219 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3cnl n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cnl n GLY 220 N -2.00 -0.16 3.73 -0.02 0.00 -0.79 -5.02 105.19 100.94 3cnl n GLY 220 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3cnl n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cnl s VAL 221 N -2.95 5.15 0.01 1.61 1.01 -1.21 -4.79 120.40 119.22 3cnl s VAL 221 Ca 0.19 0.99 -0.38 0.00 0.00 0.00 0.00 61.98 62.78 3cnl s VAL 221 Cb -0.08 -3.83 -0.17 0.00 0.00 0.00 0.00 36.38 32.30 3cnl s VAL 221 CO 0.23 0.35 1.41 -2.65 0.00 0.00 0.00 175.10 174.45 3cnl n PRO 222 N 3.45 1.11 -2.87 2.72 -0.02 -1.26 0.11 135.00 138.25 3cnl n PRO 222 Ca -0.07 0.40 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 3cnl n PRO 222 Cb 0.52 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3cnl n PRO 222 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cnl s ASP 223 N 1.10 6.28 0.18 2.55 -1.08 -0.29 -4.72 116.67 120.69 3cnl s ASP 223 Ca 0.88 -1.23 -0.08 0.00 -0.52 0.00 0.00 52.55 51.60 3cnl s ASP 223 Cb -0.99 -2.42 0.06 0.00 -1.46 0.00 0.00 42.92 38.11 3cnl s ASP 223 CO 0.51 -1.36 1.56 0.40 0.52 0.00 0.00 175.17 176.80 3cnl h ILE 224 N 5.97 1.27 -0.70 4.11 1.08 -1.88 -1.71 117.51 125.65 3cnl h ILE 224 Ca -0.18 -1.40 0.11 0.00 -0.39 0.00 0.00 64.86 62.99 3cnl h ILE 224 Cb 1.06 1.19 -0.08 0.00 -3.07 0.00 0.00 36.82 35.93 3cnl h ILE 224 CO 1.17 0.48 0.31 -0.08 -0.69 0.00 0.00 178.15 179.34 3cnl h GLU 225 N 0.78 0.50 -0.02 2.37 4.81 -1.97 -0.10 114.58 120.95 3cnl h GLU 225 Ca 0.10 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 3cnl h GLU 225 Cb 0.81 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 3cnl h GLU 225 CO 0.07 0.33 -0.85 0.00 -0.73 0.00 0.00 179.01 177.83 3cnl h ARG 226 N 0.52 0.32 -0.47 1.92 3.08 -1.95 -2.29 114.38 115.50 3cnl h ARG 226 Ca 0.36 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3cnl h ARG 226 Cb 0.44 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3cnl h ARG 226 CO -0.31 1.00 0.27 0.00 -1.07 0.00 0.00 179.97 179.86 3cnl h ALA 227 N 0.89 0.60 0.20 0.04 0.00 -0.93 -1.55 119.26 118.52 3cnl h ALA 227 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3cnl h ALA 227 Cb 1.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3cnl h ALA 227 CO 0.14 0.10 -0.10 -0.07 0.00 0.00 0.00 179.25 179.32 3cnl h LEU 228 N 0.62 -0.24 -0.24 0.00 3.38 -0.98 0.40 115.31 118.26 3cnl h LEU 228 Ca 0.17 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3cnl h LEU 228 Cb 0.02 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3cnl h LEU 228 CO -0.03 -0.17 -0.18 -0.03 0.09 0.00 0.00 178.44 178.12 3cnl h MET 229 N -0.27 -0.17 -0.43 1.13 4.05 -1.37 -1.60 114.93 116.27 3cnl h MET 229 Ca -0.03 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.30 3cnl h MET 229 Cb 0.21 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3cnl h MET 229 CO 0.04 -0.11 -0.13 1.25 0.23 0.00 0.00 176.91 178.19 3cnl h LEU 230 N -0.18 0.85 0.11 3.39 5.85 -1.18 -1.86 115.31 122.30 3cnl h LEU 230 Ca 0.14 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3cnl h LEU 230 Cb 0.38 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3cnl h LEU 230 CO -0.34 1.03 -0.08 0.15 -0.34 0.00 0.00 178.44 178.85 3cnl h PHE 231 N 0.67 -0.21 0.00 1.25 3.57 -0.01 -0.31 116.94 121.89 3cnl h PHE 231 Ca 0.10 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3cnl h PHE 231 Cb 0.67 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3cnl h PHE 231 CO 0.05 -0.13 -0.36 0.74 -2.23 0.00 0.00 178.31 176.38 3cnl h PHE 232 N -0.20 0.00 -0.19 0.41 0.04 -1.30 0.18 116.94 115.88 3cnl h PHE 232 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 3cnl h PHE 232 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 3cnl h PHE 232 CO -0.10 0.36 -0.01 1.15 -0.60 0.00 0.00 178.31 179.11 3cnl h THR 233 N 0.00 1.26 -0.59 -1.55 2.02 -1.16 -1.18 112.91 111.72 3cnl h THR 233 Ca -0.00 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 3cnl h THR 233 Cb 0.84 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 3cnl h THR 233 CO 0.05 0.28 0.36 -0.33 0.37 0.00 0.00 175.52 176.25 3cnl h GLU 234 N 0.10 0.79 -0.45 6.66 5.08 -0.29 -2.40 114.58 124.07 3cnl h GLU 234 Ca 0.05 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3cnl h GLU 234 Cb 0.42 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3cnl h GLU 234 CO 0.01 0.56 0.21 0.28 -1.00 0.00 0.00 179.01 179.08 3cnl h VAL 235 N 0.79 0.95 -0.26 3.13 2.07 -0.59 -0.56 116.25 121.78 3cnl h VAL 235 Ca 0.21 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3cnl h VAL 235 Cb -0.03 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3cnl h VAL 235 CO -0.04 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.75 3cnl h ALA 236 N 1.25 1.72 -0.00 1.67 0.00 -1.03 -1.23 119.26 121.63 3cnl h ALA 236 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cnl h ALA 236 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3cnl h ALA 236 CO -0.15 0.23 -0.07 1.04 0.00 0.00 0.00 179.25 180.30 3cnl n GLN 237 N -4.44 0.73 -1.04 0.00 6.02 -0.92 -4.81 117.38 112.92 3cnl n GLN 237 Ca 0.01 -0.19 -0.01 0.00 -0.01 0.00 0.00 57.00 56.79 3cnl n GLN 237 Cb 0.11 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 3cnl n GLN 237 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cnl n GLY 238 N 1.24 0.51 0.28 1.08 0.00 -0.46 -4.92 105.19 102.91 3cnl n GLY 238 Ca 0.16 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.74 3cnl n GLY 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cnl n LYS 239 N -2.80 1.38 -0.22 1.61 5.02 -0.25 -3.77 118.16 119.14 3cnl n LYS 239 Ca -0.01 -0.56 0.09 0.00 -2.02 0.00 0.00 58.31 55.81 3cnl n LYS 239 Cb 0.06 -1.49 0.17 0.00 -0.02 0.00 0.00 35.03 33.76 3cnl n LYS 239 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cnl n ALA 240 N -0.32 2.62 0.00 7.82 0.00 -1.25 -4.94 120.51 124.45 3cnl n ALA 240 Ca 0.21 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.97 3cnl n ALA 240 Cb 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3cnl n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cnl n GLY 241 N -1.24 2.98 3.55 0.00 0.00 -1.25 -4.95 105.19 104.29 3cnl n GLY 241 Ca 0.18 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 3cnl n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cnl s ARG 242 N -4.32 2.49 -0.07 1.61 0.52 -1.26 -4.81 118.95 113.10 3cnl s ARG 242 Ca 0.00 0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 55.72 3cnl s ARG 242 Cb 0.00 -4.56 0.03 0.00 0.52 0.00 0.00 34.95 30.94 3cnl s ARG 242 CO 0.00 -3.00 0.17 0.08 0.02 0.00 0.00 175.30 172.56 3cnl s VAL 243 N 9.97 -0.02 0.32 3.52 1.01 -1.07 -4.34 120.40 129.79 3cnl s VAL 243 Ca 0.73 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.87 3cnl s VAL 243 Cb -0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 3cnl s VAL 243 CO 0.17 0.04 0.25 -0.44 0.00 0.00 0.00 175.10 175.11 3cnl s SER 244 N 0.65 5.19 0.00 3.32 0.01 -1.26 -4.14 113.70 117.48 3cnl s SER 244 Ca -0.05 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3cnl s SER 244 Cb -0.06 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 65.19 3cnl s SER 244 CO -0.03 -0.30 0.15 0.49 0.41 0.00 0.00 173.24 173.96 3cnl n PHE 245 N -1.30 0.00 -3.82 2.43 3.72 0.15 -4.80 117.46 113.84 3cnl n PHE 245 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 3cnl n PHE 245 Cb 0.60 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.04 3cnl n PHE 245 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3cnl s GLU 246 N -0.60 0.46 0.05 -1.08 2.02 -0.97 -4.98 118.70 113.60 3cnl s GLU 246 Ca 0.00 -0.13 0.07 0.00 0.02 0.00 0.00 54.97 54.93 3cnl s GLU 246 Cb 0.00 0.20 -0.02 0.00 0.10 0.00 0.00 34.13 34.41 3cnl s GLU 246 CO 0.00 -0.11 -0.19 1.03 0.02 0.00 0.00 175.26 176.01 3cnl s ARG 247 N -0.90 1.28 0.43 1.61 0.52 -0.64 -4.81 118.95 116.43 3cnl s ARG 247 Ca -0.10 -0.92 0.34 0.00 -0.52 0.00 0.00 55.73 54.53 3cnl s ARG 247 Cb -0.05 -1.38 1.45 0.00 0.52 0.00 0.00 34.95 35.48 3cnl s ARG 247 CO 0.02 0.35 1.46 -2.30 0.02 0.00 0.00 175.30 174.85 3cnl n PRO 248 N 1.81 -0.03 0.00 3.54 -0.02 -1.26 -3.93 135.00 135.11 3cnl n PRO 248 Ca -0.17 1.14 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3cnl n PRO 248 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3cnl n PRO 248 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3cnl n GLU 249 N -4.42 0.00 -0.02 -0.52 2.13 -1.26 -4.98 120.64 111.58 3cnl n GLU 249 Ca 0.39 0.00 0.02 0.00 0.66 0.00 0.00 57.16 58.23 3cnl n GLU 249 Cb 1.56 0.00 0.03 0.00 0.27 0.00 0.00 31.44 33.30 3cnl n GLU 249 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3cnl n ASP 250 N 0.00 2.01 0.00 4.31 9.92 -1.26 -5.28 116.55 126.26 3cnl n ASP 250 Ca 0.00 -2.24 0.14 0.00 -0.53 0.00 0.00 54.79 52.16 3cnl n ASP 250 Cb 0.00 -0.11 0.84 0.00 -0.64 0.00 0.00 41.12 41.21 3cnl n ASP 250 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95