#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k57 n ILE 22 N 0.00 1.19 -4.41 0.44 3.06 -1.26 -3.79 119.36 114.59 1k57 n ILE 22 Ca 0.00 -0.30 -0.23 0.00 -2.50 0.00 0.00 62.75 59.72 1k57 n ILE 22 Cb 0.00 -1.99 -0.11 0.00 0.54 0.00 0.00 39.64 38.08 1k57 n ILE 22 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1k57 s THR 23 N -0.19 2.20 -0.21 9.51 -1.32 0.15 -4.95 115.64 120.83 1k57 s THR 23 Ca 0.62 -2.19 -0.08 0.00 -1.21 0.00 0.00 61.69 58.83 1k57 s THR 23 Cb -0.48 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1k57 s THR 23 CO 0.51 -0.35 0.07 -0.70 -2.21 0.00 0.00 174.62 171.95 1k57 s GLU 24 N -3.20 3.89 -0.38 7.08 2.12 -1.26 -0.96 118.70 125.99 1k57 s GLU 24 Ca 0.24 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.18 1k57 s GLU 24 Cb -0.05 -3.28 0.10 0.00 0.26 0.00 0.00 34.13 31.16 1k57 s GLU 24 CO 0.11 0.12 0.15 1.21 -0.54 0.00 0.00 175.26 176.31 1k57 s ASN 25 N 0.81 5.13 0.02 -1.70 3.84 0.14 -4.91 114.94 118.26 1k57 s ASN 25 Ca 0.04 -1.98 0.28 0.00 0.21 0.00 0.00 52.86 51.41 1k57 s ASN 25 Cb -0.13 -1.78 1.13 0.00 -0.55 0.00 0.00 41.25 39.92 1k57 s ASN 25 CO 0.02 -0.48 1.87 0.35 -2.79 0.00 0.00 177.10 176.07 1k57 n THR 26 N 4.53 0.07 0.24 -5.21 -2.24 -1.26 -2.79 114.28 107.62 1k57 n THR 26 Ca -0.02 -0.04 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1k57 n THR 26 Cb 0.42 -0.45 0.57 0.00 -2.10 0.00 0.00 70.33 68.77 1k57 n THR 26 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1k57 h SER 27 N 0.00 0.00 0.40 3.42 4.64 -1.94 -2.79 113.55 117.28 1k57 h SER 27 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1k57 h SER 27 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1k57 h SER 27 CO 0.00 0.11 -0.06 -0.50 -0.87 0.00 0.00 176.83 175.50 1k57 h TRP 28 N 0.00 0.00 0.00 4.77 6.55 -1.91 -3.00 115.95 122.37 1k57 h TRP 28 Ca -0.00 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.84 1k57 h TRP 28 Cb 0.20 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1k57 h TRP 28 CO 0.00 0.06 -0.01 -0.91 -1.05 0.00 0.00 178.44 176.54 1k57 h ASN 29 N 0.00 0.00 0.53 -3.49 2.35 -1.72 -0.92 115.58 112.33 1k57 h ASN 29 Ca -0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1k57 h ASN 29 Cb 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.65 1k57 h ASN 29 CO 0.01 0.01 -0.15 0.11 -1.65 0.00 0.00 177.43 175.76 1k57 h LYS 30 N 0.00 0.00 0.00 0.81 6.56 -1.75 -2.01 116.57 120.18 1k57 h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1k57 h LYS 30 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1k57 h LYS 30 CO 0.00 0.15 0.00 0.93 -2.06 0.00 0.00 179.45 178.47 1k57 h GLU 31 N 0.00 0.00 0.00 3.15 4.39 -1.40 -3.16 114.58 117.56 1k57 h GLU 31 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1k57 h GLU 31 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1k57 h GLU 31 CO 0.02 0.00 -0.89 0.74 -1.16 0.00 0.00 179.01 177.72 1k57 h PHE 32 N 0.00 0.00 -0.18 4.33 -1.00 -1.52 -3.42 116.94 115.15 1k57 h PHE 32 Ca 0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1k57 h PHE 32 Cb 0.66 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.21 1k57 h PHE 32 CO 0.00 0.00 -0.07 0.66 -1.61 0.00 0.00 178.31 177.29 1k57 h SER 33 N 0.00 0.36 -0.98 2.17 4.64 -1.51 -1.45 113.55 116.78 1k57 h SER 33 Ca 0.00 -0.39 0.08 0.00 -0.47 0.00 0.00 61.79 61.00 1k57 h SER 33 Cb 0.94 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 62.86 1k57 h SER 33 CO 0.00 0.68 0.62 0.00 -0.87 0.00 0.00 176.83 177.26 1k57 h ALA 34 N 0.70 1.38 -0.60 5.18 0.00 -1.82 -0.21 119.26 123.89 1k57 h ALA 34 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1k57 h ALA 34 Cb 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1k57 h ALA 34 CO 0.02 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.03 1k57 n GLU 35 N -4.55 3.09 -3.75 0.00 -0.58 -1.23 -4.98 120.64 108.64 1k57 n GLU 35 Ca 0.16 -2.62 -0.27 0.00 -0.42 0.00 0.00 57.16 54.02 1k57 n GLU 35 Cb 0.22 -1.62 0.02 0.00 -0.57 0.00 0.00 31.44 29.49 1k57 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k57 n ALA 36 N 1.13 -2.27 -2.66 0.62 0.00 -0.09 -4.96 120.51 112.29 1k57 n ALA 36 Ca 0.22 -0.22 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1k57 n ALA 36 Cb 0.68 -2.92 -0.06 0.00 0.00 0.00 0.00 19.45 17.15 1k57 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k57 s VAL 37 N -3.66 5.19 -0.46 0.00 1.01 -0.59 -5.04 120.40 116.85 1k57 s VAL 37 Ca 0.22 0.77 -0.17 0.00 0.00 0.00 0.00 61.98 62.80 1k57 s VAL 37 Cb -0.08 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1k57 s VAL 37 CO 0.85 0.44 0.47 0.20 0.00 0.00 0.00 175.10 177.06 1k57 s ASN 38 N -0.02 6.18 0.00 3.32 0.01 -1.26 -4.83 114.94 118.34 1k57 s ASN 38 Ca 0.22 -0.96 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 1k57 s ASN 38 Cb -0.15 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1k57 s ASN 38 CO 0.09 -0.69 0.00 0.61 -1.51 0.00 0.00 177.10 175.60 1k57 n GLY 39 N 5.16 2.03 3.14 0.66 0.00 -1.26 -1.19 105.19 113.73 1k57 n GLY 39 Ca -0.09 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1k57 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s VAL 40 N -2.89 0.01 -0.07 1.61 0.11 -0.27 -4.82 120.40 114.08 1k57 s VAL 40 Ca 0.00 -0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1k57 s VAL 40 Cb 0.00 -0.38 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 1k57 s VAL 40 CO 0.00 -0.06 -0.23 0.12 -3.33 0.00 0.00 175.10 171.60 1k57 s PHE 41 N -0.13 2.33 -0.14 1.54 5.99 -1.26 -1.39 117.98 124.92 1k57 s PHE 41 Ca -0.02 -0.80 0.02 0.00 0.00 0.00 0.00 56.93 56.12 1k57 s PHE 41 Cb -0.03 -1.55 0.01 0.00 0.00 0.00 0.00 43.02 41.46 1k57 s PHE 41 CO 0.01 -0.29 -0.19 0.08 -0.00 0.00 0.00 175.22 174.83 1k57 s VAL 42 N 0.09 1.85 -0.05 3.12 1.01 0.64 -2.98 120.40 124.09 1k57 s VAL 42 Ca -0.10 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1k57 s VAL 42 Cb -0.15 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1k57 s VAL 42 CO 0.05 0.51 -0.10 -0.22 0.00 0.00 0.00 175.10 175.34 1k57 s LEU 43 N 1.02 1.67 -0.10 3.92 2.96 -0.39 -1.01 118.68 126.74 1k57 s LEU 43 Ca -0.04 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1k57 s LEU 43 Cb -0.15 -0.69 0.02 0.00 0.50 0.00 0.00 46.19 45.88 1k57 s LEU 43 CO -0.05 0.04 -0.10 0.00 -1.32 0.00 0.00 176.35 174.92 1k57 s LYS 45 N 1.25 4.22 0.00 0.00 2.20 -1.24 -0.52 119.74 125.65 1k57 s LYS 45 Ca -0.03 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.17 1k57 s LYS 45 Cb -0.14 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1k57 s LYS 45 CO -0.03 -0.20 0.00 0.43 -0.36 0.00 0.00 175.35 175.19 1k57 n SER 46 N 4.89 0.00 -3.22 1.43 7.64 0.31 -4.75 113.62 119.93 1k57 n SER 46 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.78 1k57 n SER 46 Cb 0.50 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 1k57 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k57 s SER 47 N 0.00 -0.07 0.00 6.43 1.04 -1.26 -4.94 113.70 114.90 1k57 s SER 47 Ca 0.00 -0.96 0.23 0.00 0.48 0.00 0.00 55.95 55.70 1k57 s SER 47 Cb 0.00 0.79 1.24 0.00 0.10 0.00 0.00 66.02 68.15 1k57 s SER 47 CO 0.00 -1.54 1.81 -1.54 0.98 0.00 0.00 173.24 172.95 1k57 n SER 48 N -1.13 0.36 -0.25 7.02 3.41 -1.26 -3.32 113.62 118.45 1k57 n SER 48 Ca -0.07 -1.37 -0.04 0.00 -0.26 0.00 0.00 58.87 57.13 1k57 n SER 48 Cb 0.60 -0.02 0.13 0.00 -0.26 0.00 0.00 64.21 64.66 1k57 n SER 48 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k57 h LYS 49 N 0.50 1.09 -4.40 4.33 1.57 -1.95 -3.38 116.57 114.33 1k57 h LYS 49 Ca 0.00 -0.17 -0.64 0.00 -1.87 0.00 0.00 60.65 57.97 1k57 h LYS 49 Cb 0.11 -0.19 -0.40 0.00 0.08 0.00 0.00 32.23 31.83 1k57 h LYS 49 CO 0.00 0.86 -0.73 -1.54 -0.57 0.00 0.00 179.45 177.48 1k57 s SER 50 N -6.39 4.59 0.17 0.86 1.04 -1.21 0.43 113.70 113.19 1k57 s SER 50 Ca -0.12 -2.04 0.09 0.00 0.48 0.00 0.00 55.95 54.36 1k57 s SER 50 Cb 0.16 -1.44 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 1k57 s SER 50 CO 0.82 -0.39 -0.10 0.00 0.98 0.00 0.00 173.24 174.56 1k57 s ALA 52 N -1.65 1.47 0.09 0.00 0.00 -0.45 0.31 121.76 121.53 1k57 s ALA 52 Ca 0.24 -1.10 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1k57 s ALA 52 Cb -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1k57 s ALA 52 CO 0.15 0.26 0.22 -0.08 0.00 0.00 0.00 175.76 176.31 1k57 s THR 53 N -1.20 0.13 -0.12 0.00 -1.32 -0.13 -1.27 115.64 111.73 1k57 s THR 53 Ca 0.02 -1.09 0.14 0.00 -1.21 0.00 0.00 61.69 59.55 1k57 s THR 53 Cb -0.10 -1.32 0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1k57 s THR 53 CO 0.03 -0.60 1.39 -0.55 -2.21 0.00 0.00 174.62 172.68 1k57 h ASN 54 N 2.69 0.00 -2.62 8.08 -1.07 -1.70 0.39 115.58 121.34 1k57 h ASN 54 Ca -0.34 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.55 1k57 h ASN 54 Cb 1.21 0.00 -0.38 0.00 -2.07 0.00 0.00 38.32 37.08 1k57 h ASN 54 CO 0.55 0.56 -0.75 -0.62 0.07 0.00 0.00 177.43 177.24 1k57 s ASP 55 N -6.45 3.06 0.41 6.14 -1.08 -1.26 -4.66 116.67 112.83 1k57 s ASP 55 Ca 0.03 -1.21 0.08 0.00 -0.52 0.00 0.00 52.55 50.92 1k57 s ASP 55 Cb 0.08 -0.14 0.88 0.00 -1.46 0.00 0.00 42.92 42.27 1k57 s ASP 55 CO 0.76 -0.42 2.06 -0.07 0.52 0.00 0.00 175.17 178.01 1k57 h LEU 56 N 8.29 0.46 -0.08 -1.34 3.38 -1.93 -1.50 115.31 122.59 1k57 h LEU 56 Ca -0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1k57 h LEU 56 Cb 1.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1k57 h LEU 56 CO 0.40 0.33 -0.03 0.00 0.09 0.00 0.00 178.44 179.23 1k57 h ALA 57 N 1.75 0.11 0.00 1.53 0.00 -2.01 -3.25 119.26 117.39 1k57 h ALA 57 Ca 0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1k57 h ALA 57 Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1k57 h ALA 57 CO -0.03 -0.15 -0.32 -0.09 0.00 0.00 0.00 179.25 178.65 1k57 h ARG 58 N -0.19 0.00 -0.74 0.00 2.43 -1.91 -3.08 114.38 110.89 1k57 h ARG 58 Ca 0.02 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.32 1k57 h ARG 58 Cb 0.45 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1k57 h ARG 58 CO 0.01 0.32 0.49 0.00 -1.51 0.00 0.00 179.97 179.28 1k57 h ALA 59 N 1.68 2.02 -0.16 2.80 0.00 -1.30 -0.78 119.26 123.51 1k57 h ALA 59 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k57 h ALA 59 Cb 0.84 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1k57 h ALA 59 CO 0.04 -0.21 0.00 -1.13 0.00 0.00 0.00 179.25 177.96 1k57 n SER 60 N -4.49 2.88 -4.76 0.00 3.41 -1.17 -2.21 113.62 107.29 1k57 n SER 60 Ca 0.14 -1.87 -0.39 0.00 -0.26 0.00 0.00 58.87 56.49 1k57 n SER 60 Cb 0.46 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.27 1k57 n SER 60 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k57 s LYS 61 N -1.50 4.65 -0.16 4.33 1.02 -0.30 -4.73 119.74 123.05 1k57 s LYS 61 Ca 0.27 1.62 -0.07 0.00 0.02 0.00 0.00 55.97 57.81 1k57 s LYS 61 Cb 0.18 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1k57 s LYS 61 CO 0.25 0.28 0.09 -1.21 -0.92 0.00 0.00 175.35 173.84 1k57 s GLU 62 N -1.54 3.79 0.11 1.68 2.02 -1.26 -4.03 118.70 119.47 1k57 s GLU 62 Ca 0.45 -0.27 0.03 0.00 0.02 0.00 0.00 54.97 55.20 1k57 s GLU 62 Cb -0.28 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1k57 s GLU 62 CO 0.35 0.45 -0.08 0.71 0.02 0.00 0.00 175.26 176.71 1k57 s TYR 63 N -0.11 1.02 0.10 1.61 1.51 0.09 -4.67 117.35 116.91 1k57 s TYR 63 Ca 0.08 -0.81 -0.36 0.00 -1.01 0.00 0.00 57.07 54.97 1k57 s TYR 63 Cb -0.12 -0.56 -0.16 0.00 -0.11 0.00 0.00 41.96 41.02 1k57 s TYR 63 CO 0.01 -0.05 1.45 1.28 -1.11 0.00 0.00 175.55 177.13 1k57 n LEU 64 N 0.06 2.24 0.15 -1.29 4.77 -1.26 -0.81 117.00 120.88 1k57 n LEU 64 Ca -0.13 1.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.98 1k57 n LEU 64 Cb 0.60 -1.28 0.18 0.00 -2.33 0.00 0.00 43.42 40.59 1k57 n LEU 64 CO 0.30 -0.73 0.54 1.55 -1.33 0.00 0.00 177.39 177.72 1k57 h PRO 65 N 5.24 0.00 0.00 3.23 0.13 -1.77 -3.47 132.00 135.37 1k57 h PRO 65 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k57 h PRO 65 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1k57 h PRO 65 CO 0.83 0.51 0.00 0.00 -0.23 0.00 0.00 178.00 179.11 1k57 n ALA 66 N -2.30 0.00 0.41 -0.56 0.00 -0.47 -1.97 120.51 115.62 1k57 n ALA 66 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1k57 n ALA 66 Cb 0.63 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.32 1k57 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k57 n SER 67 N 0.60 0.00 0.20 0.00 7.64 -1.26 -1.39 113.62 119.41 1k57 n SER 67 Ca 0.00 0.38 0.14 0.00 1.01 0.00 0.00 58.87 60.40 1k57 n SER 67 Cb 0.00 -0.43 0.68 0.00 -1.01 0.00 0.00 64.21 63.45 1k57 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k57 h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.44 -3.40 112.91 109.86 1k57 h THR 68 Ca 0.00 -0.15 -0.46 0.00 -0.55 0.00 0.00 66.41 65.25 1k57 h THR 68 Cb 0.15 0.88 0.03 0.00 -1.73 0.00 0.00 68.15 67.48 1k57 h THR 68 CO 0.00 0.00 2.49 0.33 -0.25 0.00 0.00 175.52 178.09 1k57 n PHE 69 N -2.52 1.52 0.00 4.73 7.35 -0.49 -4.45 117.46 123.60 1k57 n PHE 69 Ca -0.00 -1.89 0.00 0.00 -0.76 0.00 0.00 57.45 54.79 1k57 n PHE 69 Cb 0.14 -1.67 0.00 0.00 0.35 0.00 0.00 39.48 38.30 1k57 n PHE 69 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1k57 n ILE 71 N 4.80 0.00 -0.02 -2.13 5.41 -1.26 -1.56 119.36 124.60 1k57 n ILE 71 Ca 0.45 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 64.20 1k57 n ILE 71 Cb 0.22 0.00 0.29 0.00 -0.71 0.00 0.00 39.64 39.43 1k57 n ILE 71 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k57 h PRO 72 N 0.00 0.57 -0.50 0.38 0.13 -1.98 -2.77 132.00 127.82 1k57 h PRO 72 Ca 0.00 -0.12 -0.08 0.00 -0.87 0.00 0.00 66.00 64.93 1k57 h PRO 72 Cb 0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.02 1k57 h PRO 72 CO 0.00 0.57 -0.01 -0.97 -0.23 0.00 0.00 178.00 177.36 1k57 h ASN 73 N 0.55 0.83 -0.69 1.44 -0.00 -1.65 -0.58 115.58 115.47 1k57 h ASN 73 Ca 0.12 -0.21 -0.03 0.00 -0.00 0.00 0.00 56.30 56.18 1k57 h ASN 73 Cb 0.31 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.38 1k57 h ASN 73 CO 0.01 0.90 0.31 0.00 -0.00 0.00 0.00 177.43 178.64 1k57 h ALA 74 N 1.19 0.89 -0.32 1.57 0.00 -1.74 0.04 119.26 120.89 1k57 h ALA 74 Ca 0.15 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1k57 h ALA 74 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1k57 h ALA 74 CO 0.02 0.48 -0.16 0.82 0.00 0.00 0.00 179.25 180.42 1k57 h ILE 75 N 0.97 1.29 -0.66 0.00 2.04 -1.17 -1.86 117.51 118.12 1k57 h ILE 75 Ca 0.23 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1k57 h ILE 75 Cb 0.16 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1k57 h ILE 75 CO -0.03 0.41 0.24 0.40 0.00 0.00 0.00 178.15 179.18 1k57 h ILE 76 N 0.44 1.24 -0.66 -0.67 2.04 -1.00 -0.11 117.51 118.80 1k57 h ILE 76 Ca 0.07 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.22 1k57 h ILE 76 Cb 0.68 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 1k57 h ILE 76 CO 0.05 0.31 0.32 1.23 0.00 0.00 0.00 178.15 180.06 1k57 h GLY 77 N 0.95 0.96 0.83 5.37 0.00 -0.80 -1.32 103.07 109.05 1k57 h GLY 77 Ca 0.22 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1k57 h GLY 77 CO -0.01 0.07 -0.14 1.41 0.00 0.00 0.00 176.54 177.87 1k57 h LEU 78 N 0.57 0.50 -0.92 3.11 3.38 -0.86 0.15 115.31 121.24 1k57 h LEU 78 Ca 0.31 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1k57 h LEU 78 Cb 0.30 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1k57 h LEU 78 CO -0.24 0.82 0.25 -0.33 0.09 0.00 0.00 178.44 179.03 1k57 h GLU 79 N 0.17 1.03 0.00 1.13 4.39 -0.77 -2.53 114.58 118.01 1k57 h GLU 79 Ca 0.04 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1k57 h GLU 79 Cb 0.65 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1k57 h GLU 79 CO 0.04 0.86 0.00 1.79 -1.16 0.00 0.00 179.01 180.54 1k57 h THR 80 N 1.00 0.00 0.00 1.13 1.35 -1.32 -3.48 112.91 111.59 1k57 h THR 80 Ca 0.23 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1k57 h THR 80 Cb 0.24 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1k57 h THR 80 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 1k57 n GLY 81 N 0.99 0.75 0.34 5.82 0.00 -0.95 -4.92 105.19 107.22 1k57 n GLY 81 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1k57 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k57 h VAL 82 N 0.00 1.24 -3.81 1.61 2.07 -1.53 -3.36 116.25 112.46 1k57 h VAL 82 Ca 0.00 -0.50 -0.65 0.00 0.82 0.00 0.00 66.70 66.37 1k57 h VAL 82 Cb 0.00 0.01 -0.18 0.00 -1.52 0.00 0.00 31.29 29.60 1k57 h VAL 82 CO 0.00 0.24 -0.48 -0.63 0.02 0.00 0.00 177.57 176.73 1k57 s ILE 83 N -6.01 5.29 0.18 4.57 1.01 -0.07 -5.00 121.20 121.17 1k57 s ILE 83 Ca -0.13 0.05 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 1k57 s ILE 83 Cb 0.16 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 39.09 1k57 s ILE 83 CO 0.81 0.14 1.81 0.11 0.00 0.00 0.00 174.94 177.80 1k57 h LYS 84 N 8.41 0.57 0.00 2.79 1.79 -1.87 -3.39 116.57 124.86 1k57 h LYS 84 Ca -0.33 -0.03 0.33 0.00 -2.18 0.00 0.00 60.65 58.43 1k57 h LYS 84 Cb 1.17 -0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.63 1k57 h LYS 84 CO 0.59 0.37 0.81 0.27 -1.08 0.00 0.00 179.45 180.42 1k57 n ASN 85 N -4.82 -0.84 0.13 0.86 0.23 -1.26 -5.02 115.26 104.54 1k57 n ASN 85 Ca 0.04 -1.04 0.11 0.00 -0.53 0.00 0.00 54.58 53.17 1k57 n ASN 85 Cb 0.10 1.26 0.49 0.00 -2.08 0.00 0.00 39.78 39.55 1k57 n ASN 85 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1k57 n GLU 86 N -0.80 0.17 -0.28 -3.83 0.00 -1.26 -1.86 120.64 112.79 1k57 n GLU 86 Ca 0.05 0.46 0.10 0.00 0.00 0.00 0.00 57.16 57.78 1k57 n GLU 86 Cb 0.47 -1.87 0.27 0.00 0.00 0.00 0.00 31.44 30.31 1k57 n GLU 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1k57 n HIS 87 N -2.19 0.72 -1.77 -1.84 8.25 -1.26 -4.59 115.22 112.54 1k57 n HIS 87 Ca 0.01 -0.36 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 1k57 n HIS 87 Cb 0.18 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1k57 n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k57 s GLN 88 N -1.28 4.12 -0.17 -0.41 0.74 -0.78 -4.96 119.66 116.93 1k57 s GLN 88 Ca 0.40 2.58 -0.06 0.00 0.05 0.00 0.00 55.36 58.33 1k57 s GLN 88 Cb 0.21 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 31.24 1k57 s GLN 88 CO 0.28 -0.67 0.02 0.08 -0.55 0.00 0.00 175.29 174.45 1k57 s VAL 89 N 0.36 4.40 -0.48 1.34 1.01 -1.26 -3.60 120.40 122.17 1k57 s VAL 89 Ca 0.67 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1k57 s VAL 89 Cb -0.48 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 32.99 1k57 s VAL 89 CO 0.43 0.47 0.59 -0.36 0.00 0.00 0.00 175.10 176.24 1k57 s PHE 90 N 0.37 3.07 0.17 5.22 0.40 0.14 -4.96 117.98 122.39 1k57 s PHE 90 Ca -0.00 -0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 55.56 1k57 s PHE 90 Cb -0.13 -3.41 -0.07 0.00 0.51 0.00 0.00 43.02 39.91 1k57 s PHE 90 CO 0.01 -0.96 0.95 0.15 0.70 0.00 0.00 175.22 176.08 1k57 s LYS 91 N 2.55 4.78 0.08 0.44 1.02 -1.26 -1.45 119.74 125.89 1k57 s LYS 91 Ca 0.15 1.47 -0.29 0.00 0.02 0.00 0.00 55.97 57.33 1k57 s LYS 91 Cb -0.18 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.75 1k57 s LYS 91 CO 0.13 0.36 0.92 -0.46 -0.92 0.00 0.00 175.35 175.38 1k57 s TRP 92 N -0.58 3.77 -2.12 3.18 -0.00 -1.26 -4.92 118.94 117.02 1k57 s TRP 92 Ca 0.44 1.71 0.31 0.00 -0.00 0.00 0.00 56.10 58.56 1k57 s TRP 92 Cb -0.25 -3.02 1.64 0.00 -0.00 0.00 0.00 33.47 31.85 1k57 s TRP 92 CO 0.31 0.18 2.08 -0.40 -0.00 0.00 0.00 176.95 179.13 1k57 n ASP 93 N 2.98 0.43 0.00 5.86 5.68 -1.26 -4.90 116.55 125.34 1k57 n ASP 93 Ca 0.02 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 1k57 n ASP 93 Cb 0.50 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1k57 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k57 n GLY 94 N 1.06 0.78 3.91 6.12 0.00 -1.26 -5.03 105.19 110.77 1k57 n GLY 94 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1k57 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s LYS 95 N -0.34 3.56 0.38 1.61 -0.14 -1.26 -5.04 119.74 118.50 1k57 s LYS 95 Ca 0.00 -0.22 -0.27 0.00 -1.36 0.00 0.00 55.97 54.12 1k57 s LYS 95 Cb 0.00 -2.89 -0.11 0.00 -1.68 0.00 0.00 37.83 33.15 1k57 s LYS 95 CO 0.00 0.49 1.41 -2.30 -0.76 0.00 0.00 175.35 174.19 1k57 n PRO 96 N 0.02 2.42 -4.47 -1.68 -0.02 -1.26 -4.99 135.00 125.01 1k57 n PRO 96 Ca -0.03 0.85 -0.23 0.00 -2.02 0.00 0.00 63.50 62.07 1k57 n PRO 96 Cb 0.52 -2.55 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 1k57 n PRO 96 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1k57 s ARG 97 N -2.09 1.65 0.49 -0.52 0.52 -1.26 -5.06 118.95 112.68 1k57 s ARG 97 Ca 0.55 -1.82 0.22 0.00 -0.52 0.00 0.00 55.73 54.16 1k57 s ARG 97 Cb -0.50 -1.47 1.24 0.00 0.52 0.00 0.00 34.95 34.74 1k57 s ARG 97 CO 0.62 0.15 2.03 0.00 0.02 0.00 0.00 175.30 178.12 1k57 h ALA 98 N 2.21 1.43 -3.97 2.13 0.00 -1.99 -3.40 119.26 115.66 1k57 h ALA 98 Ca -0.41 -0.15 -0.57 0.00 0.00 0.00 0.00 54.91 53.79 1k57 h ALA 98 Cb 1.24 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.70 1k57 h ALA 98 CO 0.66 0.20 -0.84 -1.64 0.00 0.00 0.00 179.25 177.63 1k57 s MET 99 N -4.34 1.79 0.51 0.00 -1.94 -1.26 -5.01 119.30 109.05 1k57 s MET 99 Ca -0.03 -0.64 0.19 0.00 -1.71 0.00 0.00 55.69 53.50 1k57 s MET 99 Cb 0.14 -1.58 1.29 0.00 2.01 0.00 0.00 34.83 36.69 1k57 s MET 99 CO 0.63 0.28 2.08 -0.22 -0.01 0.00 0.00 175.02 177.78 1k57 h LYS 100 N 6.16 0.05 0.00 2.03 3.64 -2.00 -0.44 116.57 126.01 1k57 h LYS 100 Ca -0.33 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1k57 h LYS 100 Cb 1.17 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1k57 h LYS 100 CO 0.48 0.03 0.00 1.04 -2.27 0.00 0.00 179.45 178.73 1k57 n GLN 101 N -4.47 0.11 0.00 1.90 6.02 -1.26 -1.95 117.38 117.73 1k57 n GLN 101 Ca 0.03 0.40 0.12 0.00 -0.01 0.00 0.00 57.00 57.54 1k57 n GLN 101 Cb 0.30 -1.74 0.10 0.00 1.02 0.00 0.00 30.24 29.92 1k57 n GLN 101 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1k57 n TRP 102 N -1.96 0.00 -2.28 1.08 8.01 -0.17 -4.73 117.44 117.38 1k57 n TRP 102 Ca 0.02 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.78 1k57 n TRP 102 Cb 0.17 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 1k57 n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k57 n GLU 103 N 0.26 3.54 -3.59 -0.99 1.02 -0.82 -4.82 120.64 115.25 1k57 n GLU 103 Ca 0.11 -3.44 -0.05 0.00 -0.02 0.00 0.00 57.16 53.77 1k57 n GLU 103 Cb 0.48 -2.96 -0.02 0.00 -0.02 0.00 0.00 31.44 28.92 1k57 n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1k57 s ARG 104 N 0.68 0.34 0.46 3.49 1.70 -1.26 -5.06 118.95 119.29 1k57 s ARG 104 Ca 0.40 -0.12 -0.25 0.00 -0.47 0.00 0.00 55.73 55.30 1k57 s ARG 104 Cb 0.10 0.15 -0.08 0.00 -0.57 0.00 0.00 34.95 34.56 1k57 s ARG 104 CO -0.00 -0.15 1.36 -0.51 -1.08 0.00 0.00 175.30 174.92 1k57 s ASP 105 N -2.18 5.90 0.05 -2.89 -0.00 -1.26 -4.25 116.67 112.04 1k57 s ASP 105 Ca 0.09 2.77 0.03 0.00 -0.00 0.00 0.00 52.55 55.44 1k57 s ASP 105 Cb -0.01 -2.64 -0.02 0.00 -0.00 0.00 0.00 42.92 40.24 1k57 s ASP 105 CO -0.05 -1.14 -0.10 -0.76 -0.00 0.00 0.00 175.17 173.12 1k57 s LEU 106 N -2.82 2.25 0.00 1.23 1.43 -0.53 -4.95 118.68 115.29 1k57 s LEU 106 Ca 0.62 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 1k57 s LEU 106 Cb -0.40 -0.30 0.16 0.00 0.03 0.00 0.00 46.19 45.67 1k57 s LEU 106 CO 0.51 -0.14 0.98 0.35 0.23 0.00 0.00 176.35 178.28 1k57 n THR 107 N 1.50 0.00 -0.02 5.49 -2.24 -1.26 -0.69 114.28 117.06 1k57 n THR 107 Ca -0.22 -0.98 -0.12 0.00 -2.27 0.00 0.00 64.05 60.47 1k57 n THR 107 Cb 0.55 -1.37 -0.06 0.00 -2.10 0.00 0.00 70.33 67.34 1k57 n THR 107 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1k57 h LEU 108 N 0.00 0.14 -0.49 3.22 5.85 -1.81 -0.62 115.31 121.59 1k57 h LEU 108 Ca -0.32 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.25 1k57 h LEU 108 Cb 0.97 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1k57 h LEU 108 CO 0.26 0.30 0.23 -0.09 -0.34 0.00 0.00 178.44 178.80 1k57 h ARG 109 N -0.03 0.44 -0.36 1.25 2.43 -1.89 -1.78 114.38 114.44 1k57 h ARG 109 Ca 0.03 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1k57 h ARG 109 Cb 0.21 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1k57 h ARG 109 CO -0.00 0.29 0.16 0.78 -1.51 0.00 0.00 179.97 179.69 1k57 h GLY 110 N 0.46 0.48 1.34 2.80 0.00 -1.85 0.12 103.07 106.42 1k57 h GLY 110 Ca 0.22 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 1k57 h GLY 110 CO -0.17 0.07 0.15 0.00 0.00 0.00 0.00 176.54 176.59 1k57 h ALA 111 N 1.20 1.23 -0.04 3.60 0.00 -0.87 0.19 119.26 124.57 1k57 h ALA 111 Ca 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1k57 h ALA 111 Cb 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1k57 h ALA 111 CO -0.13 0.54 -0.02 0.82 0.00 0.00 0.00 179.25 180.46 1k57 h ILE 112 N 0.80 1.33 -0.05 0.00 2.04 -1.02 0.47 117.51 121.09 1k57 h ILE 112 Ca 0.18 -1.01 -0.18 0.00 1.00 0.00 0.00 64.86 64.85 1k57 h ILE 112 Cb 0.27 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1k57 h ILE 112 CO -0.00 0.27 -0.75 1.56 0.00 0.00 0.00 178.15 179.23 1k57 h GLN 113 N -0.31 0.29 -0.04 2.37 1.08 -0.42 -1.81 115.11 116.27 1k57 h GLN 113 Ca 0.01 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1k57 h GLN 113 Cb 0.45 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1k57 h GLN 113 CO 0.01 0.91 0.00 1.33 -0.95 0.00 0.00 178.83 180.13 1k57 n VAL 114 N -3.79 0.04 -3.56 -0.54 0.24 0.63 -4.96 118.33 106.38 1k57 n VAL 114 Ca -0.04 -0.19 -0.20 0.00 -2.04 0.00 0.00 64.34 61.87 1k57 n VAL 114 Cb 0.72 0.19 0.05 0.00 -1.47 0.00 0.00 33.84 33.33 1k57 n VAL 114 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1k57 n SER 115 N -0.14 -2.72 -4.57 -1.34 7.64 -0.68 -4.87 113.62 106.95 1k57 n SER 115 Ca 0.19 -0.78 -0.36 0.00 1.01 0.00 0.00 58.87 58.93 1k57 n SER 115 Cb 0.27 -4.41 -0.03 0.00 -1.01 0.00 0.00 64.21 59.03 1k57 n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k57 s ALA 116 N -3.53 2.52 0.26 -0.43 0.00 0.10 -4.87 121.76 115.81 1k57 s ALA 116 Ca 0.13 -2.31 -0.12 0.00 0.00 0.00 0.00 51.96 49.66 1k57 s ALA 116 Cb -0.03 -4.60 0.37 0.00 0.00 0.00 0.00 23.12 18.86 1k57 s ALA 116 CO 0.79 -4.06 1.56 0.28 0.00 0.00 0.00 175.76 174.32 1k57 h VAL 117 N 6.38 0.01 -0.43 0.00 2.07 -1.89 -1.19 116.25 121.20 1k57 h VAL 117 Ca 0.26 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.81 1k57 h VAL 117 Cb 0.95 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1k57 h VAL 117 CO 1.36 0.00 0.29 1.55 0.02 0.00 0.00 177.57 180.78 1k57 h PRO 118 N -0.00 0.47 -0.06 1.57 0.13 -1.99 0.11 132.00 132.22 1k57 h PRO 118 Ca 0.42 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.52 1k57 h PRO 118 Cb 0.67 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1k57 h PRO 118 CO -1.01 0.31 0.04 0.28 -0.23 0.00 0.00 178.00 177.39 1k57 h VAL 119 N 0.48 1.07 0.00 1.56 2.07 -1.62 -2.36 116.25 117.44 1k57 h VAL 119 Ca 0.17 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1k57 h VAL 119 Cb 0.09 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1k57 h VAL 119 CO -0.04 0.06 -0.36 -0.26 0.02 0.00 0.00 177.57 176.98 1k57 h PHE 120 N 0.03 0.00 -0.24 1.57 -1.00 -1.45 -1.46 116.94 114.39 1k57 h PHE 120 Ca 0.02 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1k57 h PHE 120 Cb 0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1k57 h PHE 120 CO -0.05 0.36 0.10 1.96 -1.61 0.00 0.00 178.31 179.07 1k57 h GLN 121 N 0.00 0.36 -0.46 1.51 4.20 -0.58 -0.99 115.11 119.15 1k57 h GLN 121 Ca -0.00 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1k57 h GLN 121 Cb 0.95 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1k57 h GLN 121 CO 0.05 0.40 0.06 0.37 -0.67 0.00 0.00 178.83 179.04 1k57 h GLN 122 N 0.24 0.78 -0.44 1.46 5.75 -1.25 -1.47 115.11 120.17 1k57 h GLN 122 Ca 0.08 -0.22 0.08 0.00 -0.15 0.00 0.00 58.65 58.45 1k57 h GLN 122 Cb 0.18 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 1k57 h GLN 122 CO -0.01 0.80 0.02 0.82 -2.65 0.00 0.00 178.83 177.81 1k57 h ILE 123 N 0.64 0.68 -0.94 2.39 2.04 -1.21 -1.90 117.51 119.20 1k57 h ILE 123 Ca 0.14 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.98 1k57 h ILE 123 Cb 0.41 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1k57 h ILE 123 CO 0.01 0.02 0.62 0.00 0.00 0.00 0.00 178.15 178.81 1k57 h ALA 124 N 1.38 1.22 -0.83 1.87 0.00 -0.91 -0.36 119.26 121.64 1k57 h ALA 124 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1k57 h ALA 124 Cb 0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1k57 h ALA 124 CO -0.35 0.54 0.42 0.00 0.00 0.00 0.00 179.25 179.86 1k57 h ARG 125 N 1.24 1.17 -0.15 0.00 3.08 -0.67 -0.35 114.38 118.70 1k57 h ARG 125 Ca 0.36 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 60.09 1k57 h ARG 125 Cb -0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 1k57 h ARG 125 CO -0.10 0.89 -0.60 0.93 -1.07 0.00 0.00 179.97 180.02 1k57 h GLU 126 N 1.17 0.51 0.15 0.04 5.08 -0.80 -2.98 114.58 117.75 1k57 h GLU 126 Ca 0.29 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1k57 h GLU 126 Cb 0.08 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1k57 h GLU 126 CO -0.04 0.96 -0.07 0.28 -1.00 0.00 0.00 179.01 179.14 1k57 h VAL 127 N 0.38 0.88 0.00 3.13 2.07 -0.63 -3.49 116.25 118.59 1k57 h VAL 127 Ca -0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1k57 h VAL 127 Cb 1.15 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1k57 h VAL 127 CO 0.11 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1k57 n GLY 128 N -1.03 -1.42 0.14 2.17 0.00 -0.18 -4.35 105.19 100.52 1k57 n GLY 128 Ca -0.09 -1.53 -0.08 0.00 0.00 0.00 0.00 46.02 44.32 1k57 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k57 h GLU 129 N 0.00 0.37 -0.11 1.61 4.81 -1.88 -1.19 114.58 118.19 1k57 h GLU 129 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1k57 h GLU 129 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1k57 h GLU 129 CO 0.00 0.24 0.07 0.28 -0.73 0.00 0.00 179.01 178.87 1k57 h VAL 130 N 0.38 1.07 -0.30 0.32 2.07 -2.00 -0.22 116.25 117.56 1k57 h VAL 130 Ca 0.12 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 1k57 h VAL 130 Cb -0.00 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1k57 h VAL 130 CO -0.06 0.06 -0.32 0.03 0.02 0.00 0.00 177.57 177.31 1k57 h ARG 131 N 0.11 0.63 -0.56 1.57 3.08 -1.74 -2.44 114.38 115.03 1k57 h ARG 131 Ca 0.04 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.77 1k57 h ARG 131 Cb 0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1k57 h ARG 131 CO -0.01 0.87 0.20 1.98 -1.07 0.00 0.00 179.97 181.94 1k57 h MET 132 N 0.54 0.86 -0.59 0.04 4.05 -0.80 -2.12 114.93 116.92 1k57 h MET 132 Ca 0.06 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1k57 h MET 132 Cb 0.81 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.45 1k57 h MET 132 CO 0.07 0.77 0.37 0.37 0.23 0.00 0.00 176.91 178.71 1k57 h GLN 133 N 0.78 0.78 -0.22 0.39 5.75 -0.89 -1.91 115.11 119.80 1k57 h GLN 133 Ca 0.18 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1k57 h GLN 133 Cb 0.25 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 1k57 h GLN 133 CO -0.01 0.54 0.13 -0.22 -2.65 0.00 0.00 178.83 176.62 1k57 h LYS 134 N 0.79 0.26 -0.45 1.69 3.64 -1.21 -1.98 116.57 119.31 1k57 h LYS 134 Ca 0.21 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1k57 h LYS 134 Cb -0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1k57 h LYS 134 CO -0.04 0.18 -0.25 1.88 -2.27 0.00 0.00 179.45 178.94 1k57 h TYR 135 N 0.27 1.12 -0.04 1.91 -1.99 -1.29 -1.00 116.97 115.95 1k57 h TYR 135 Ca 0.09 -0.29 -0.05 0.00 2.00 0.00 0.00 58.73 60.48 1k57 h TYR 135 Cb -0.01 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 1k57 h TYR 135 CO -0.08 1.11 -0.22 -0.07 -0.00 0.00 0.00 178.16 178.90 1k57 h LEU 136 N 0.81 0.07 -0.16 3.88 3.38 -1.21 0.44 115.31 122.50 1k57 h LEU 136 Ca 0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1k57 h LEU 136 Cb 0.83 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1k57 h LEU 136 CO 0.07 0.29 -0.10 0.50 0.09 0.00 0.00 178.44 179.29 1k57 h LYS 137 N 0.06 0.36 -0.62 1.13 3.64 -1.17 -1.40 116.57 118.57 1k57 h LYS 137 Ca 0.01 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.23 1k57 h LYS 137 Cb 0.43 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1k57 h LYS 137 CO 0.03 0.69 0.41 0.87 -2.27 0.00 0.00 179.45 179.18 1k57 h LYS 138 N 0.02 0.81 -0.00 1.90 1.57 -0.29 -1.83 116.57 118.75 1k57 h LYS 138 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1k57 h LYS 138 Cb 0.60 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1k57 h LYS 138 CO 0.03 0.54 -0.13 1.19 -0.57 0.00 0.00 179.45 180.51 1k57 n PHE 139 N -4.44 0.00 -4.00 -1.35 0.99 0.14 -4.73 117.46 104.08 1k57 n PHE 139 Ca 0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.23 1k57 n PHE 139 Cb 0.04 -0.18 -0.02 0.00 -1.00 0.00 0.00 39.48 38.33 1k57 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k57 n SER 140 N -0.94 -1.30 -4.45 4.37 7.64 -0.61 -4.89 113.62 113.45 1k57 n SER 140 Ca 0.14 -0.98 -0.44 0.00 1.01 0.00 0.00 58.87 58.60 1k57 n SER 140 Cb 0.29 -3.09 -0.03 0.00 -1.01 0.00 0.00 64.21 60.36 1k57 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k57 s TYR 141 N -3.76 3.01 0.00 1.43 5.04 -0.71 -4.96 117.35 117.40 1k57 s TYR 141 Ca 0.21 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.64 1k57 s TYR 141 Cb -0.11 -4.29 0.00 0.00 0.35 0.00 0.00 41.96 37.91 1k57 s TYR 141 CO 0.89 -1.53 0.00 0.41 -1.34 0.00 0.00 175.55 173.98 1k57 n GLY 142 N 5.50 0.86 0.00 8.97 0.00 -1.26 -2.20 105.19 117.06 1k57 n GLY 142 Ca 0.17 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.54 1k57 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k57 n ASN 143 N 0.11 0.00 -1.84 1.61 6.94 0.20 -4.90 115.26 117.38 1k57 n ASN 143 Ca 0.00 0.08 -0.20 0.00 -0.02 0.00 0.00 54.58 54.44 1k57 n ASN 143 Cb 0.00 -0.34 -0.06 0.00 -2.36 0.00 0.00 39.78 37.03 1k57 n ASN 143 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1k57 n GLN 144 N -1.34 -1.48 -3.30 -3.83 6.02 -0.94 -4.93 117.38 107.58 1k57 n GLN 144 Ca 0.10 1.12 -0.44 0.00 -0.01 0.00 0.00 57.00 57.77 1k57 n GLN 144 Cb 0.21 -5.58 -0.08 0.00 1.02 0.00 0.00 30.24 25.81 1k57 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k57 s ASN 145 N -2.51 6.18 -0.23 1.08 3.04 -1.26 -4.92 114.94 116.32 1k57 s ASN 145 Ca 0.00 -0.96 0.14 0.00 0.04 0.00 0.00 52.86 52.08 1k57 s ASN 145 Cb 0.00 -2.23 0.71 0.00 -1.54 0.00 0.00 41.25 38.20 1k57 s ASN 145 CO 0.00 -0.68 1.65 2.30 -3.04 0.00 0.00 177.10 177.33 1k57 n ILE 146 N 5.40 2.64 -2.54 -5.21 -5.35 -1.26 -2.21 119.36 110.83 1k57 n ILE 146 Ca -0.09 -1.63 -0.34 0.00 -0.27 0.00 0.00 62.75 60.42 1k57 n ILE 146 Cb 0.46 -0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.04 1k57 n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k57 s SER 147 N -1.25 6.34 0.00 7.28 1.04 -1.26 -4.22 113.70 121.63 1k57 s SER 147 Ca 0.51 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.86 1k57 s SER 147 Cb 0.40 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1k57 s SER 147 CO 0.13 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1k57 n GLY 148 N -0.28 0.97 0.00 7.32 0.00 -1.26 -2.69 105.19 109.25 1k57 n GLY 148 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1k57 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k57 n GLY 149 N 0.00 3.05 0.26 -0.02 0.00 -1.26 -4.51 105.19 102.72 1k57 n GLY 149 Ca 0.00 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.72 1k57 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k57 h ILE 150 N 0.00 0.77 -0.61 -0.61 6.09 -1.96 -1.63 117.51 119.56 1k57 h ILE 150 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1k57 h ILE 150 Cb 0.00 1.16 0.00 0.00 0.47 0.00 0.00 36.82 38.45 1k57 h ILE 150 CO 0.00 0.07 0.00 -0.90 -3.07 0.00 0.00 178.15 174.25 1k57 n ASP 151 N -4.04 3.87 -0.03 2.19 3.85 -1.26 -4.54 116.55 116.59 1k57 n ASP 151 Ca -0.03 -2.12 0.00 0.00 -0.71 0.00 0.00 54.79 51.94 1k57 n ASP 151 Cb 0.16 -0.45 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 1k57 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1k57 n LYS 152 N 1.21 0.00 0.23 0.11 2.85 -0.68 -4.84 118.16 117.04 1k57 n LYS 152 Ca 0.22 -0.32 0.09 0.00 -1.05 0.00 0.00 58.31 57.24 1k57 n LYS 152 Cb 0.64 -0.30 0.54 0.00 -0.65 0.00 0.00 35.03 35.25 1k57 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k57 h PHE 153 N 0.00 0.00 -0.00 5.58 -0.00 -1.62 -0.49 116.94 120.41 1k57 h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1k57 h PHE 153 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 1k57 h PHE 153 CO -0.00 0.23 -0.32 -2.67 -0.00 0.00 0.00 178.31 175.55 1k57 n TRP 154 N -3.70 0.00 -0.08 6.09 2.14 -1.26 -2.66 117.44 117.97 1k57 n TRP 154 Ca -0.01 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.41 1k57 n TRP 154 Cb 0.35 -0.17 -0.06 0.00 -0.81 0.00 0.00 31.31 30.61 1k57 n TRP 154 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1k57 n LEU 155 N -0.95 1.99 0.00 5.67 4.77 -0.52 -1.37 117.00 126.59 1k57 n LEU 155 Ca 0.10 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1k57 n LEU 155 Cb 0.34 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1k57 n LEU 155 CO 0.29 0.53 0.03 -0.62 -1.33 0.00 0.00 177.39 176.29 1k57 n GLU 156 N -3.38 0.06 0.00 3.23 1.02 -0.31 -4.90 120.64 116.36 1k57 n GLU 156 Ca -0.30 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 1k57 n GLU 156 Cb 0.76 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.69 1k57 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k57 n GLY 157 N 0.03 1.35 0.85 0.62 0.00 -1.07 -4.99 105.19 101.97 1k57 n GLY 157 Ca 0.00 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.47 1k57 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k57 n GLN 158 N 0.00 1.92 -2.26 1.61 1.13 -1.09 -4.92 117.38 113.76 1k57 n GLN 158 Ca 0.00 -1.78 -0.41 0.00 -1.94 0.00 0.00 57.00 52.87 1k57 n GLN 158 Cb 0.00 -1.40 -0.03 0.00 0.11 0.00 0.00 30.24 28.92 1k57 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k57 s LEU 159 N -1.67 4.42 -0.03 1.08 2.96 -0.94 -4.69 118.68 119.82 1k57 s LEU 159 Ca 0.25 2.36 -0.05 0.00 -0.22 0.00 0.00 54.13 56.47 1k57 s LEU 159 Cb 0.18 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 43.26 1k57 s LEU 159 CO 0.26 -0.49 0.12 -0.13 -1.32 0.00 0.00 176.35 174.79 1k57 s ARG 160 N -0.15 0.26 -0.03 1.98 1.81 -1.26 -3.98 118.95 117.59 1k57 s ARG 160 Ca 0.56 -0.07 -0.13 0.00 -1.72 0.00 0.00 55.73 54.37 1k57 s ARG 160 Cb -0.35 0.11 0.02 0.00 -0.45 0.00 0.00 34.95 34.28 1k57 s ARG 160 CO 0.38 -0.05 0.28 -1.50 -0.68 0.00 0.00 175.30 173.73 1k57 s ILE 161 N -0.51 0.05 0.36 1.52 2.07 0.01 -0.63 121.20 124.07 1k57 s ILE 161 Ca -0.06 -0.42 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1k57 s ILE 161 Cb -0.04 -0.55 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 1k57 s ILE 161 CO 0.00 -0.23 0.55 -0.94 -1.91 0.00 0.00 174.94 172.42 1k57 s SER 162 N -1.06 6.12 0.21 4.50 1.04 -1.26 -0.73 113.70 122.52 1k57 s SER 162 Ca -0.11 0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.50 1k57 s SER 162 Cb -0.05 -1.77 0.19 0.00 0.10 0.00 0.00 66.02 64.49 1k57 s SER 162 CO 0.03 -0.41 1.85 0.00 0.98 0.00 0.00 173.24 175.70 1k57 h ALA 163 N 0.71 0.93 -0.70 5.32 0.00 -1.71 -1.16 119.26 122.66 1k57 h ALA 163 Ca -0.48 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.46 1k57 h ALA 163 Cb 1.23 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1k57 h ALA 163 CO 0.59 0.24 0.40 0.28 0.00 0.00 0.00 179.25 180.76 1k57 h VAL 164 N 0.89 0.98 0.00 0.00 2.07 -1.81 -2.19 116.25 116.19 1k57 h VAL 164 Ca 0.28 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1k57 h VAL 164 Cb 0.00 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1k57 h VAL 164 CO -0.10 0.13 -0.37 -1.13 0.02 0.00 0.00 177.57 176.12 1k57 h ASN 165 N 0.73 0.00 -0.22 0.57 -0.73 -1.75 -0.69 115.58 113.50 1k57 h ASN 165 Ca 0.31 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.42 1k57 h ASN 165 Cb 0.19 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 1k57 h ASN 165 CO -0.18 0.37 -0.12 1.56 -0.37 0.00 0.00 177.43 178.69 1k57 h GLN 166 N 0.00 0.47 -0.60 6.67 1.08 -0.94 -1.24 115.11 120.55 1k57 h GLN 166 Ca -0.00 -0.21 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 1k57 h GLN 166 Cb 0.72 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 1k57 h GLN 166 CO 0.05 0.75 0.24 0.28 -0.95 0.00 0.00 178.83 179.20 1k57 h VAL 167 N 0.17 1.23 -0.52 -0.54 2.07 -1.07 0.60 116.25 118.19 1k57 h VAL 167 Ca 0.05 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1k57 h VAL 167 Cb 0.62 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1k57 h VAL 167 CO 0.03 0.28 0.26 -0.33 0.02 0.00 0.00 177.57 177.83 1k57 h GLU 168 N 0.83 0.48 -0.28 1.57 5.08 -0.92 -0.53 114.58 120.81 1k57 h GLU 168 Ca 0.20 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1k57 h GLU 168 Cb 0.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1k57 h GLU 168 CO -0.02 0.32 0.10 0.35 -1.00 0.00 0.00 179.01 178.76 1k57 h PHE 169 N 0.50 0.44 -0.17 4.33 3.04 -0.91 -1.15 116.94 123.02 1k57 h PHE 169 Ca 0.23 -0.04 -0.11 0.00 3.98 0.00 0.00 57.97 62.03 1k57 h PHE 169 Cb 0.15 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.52 1k57 h PHE 169 CO -0.11 0.45 -0.39 -0.07 -2.02 0.00 0.00 178.31 176.18 1k57 h LEU 170 N 0.30 0.39 -0.60 0.59 3.38 -0.74 -0.84 115.31 117.80 1k57 h LEU 170 Ca 0.09 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1k57 h LEU 170 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1k57 h LEU 170 CO -0.01 0.75 0.07 -0.08 0.09 0.00 0.00 178.44 179.26 1k57 h GLU 171 N 0.32 1.00 -0.71 1.13 4.81 -0.90 -0.31 114.58 119.92 1k57 h GLU 171 Ca 0.03 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1k57 h GLU 171 Cb 0.83 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 1k57 h GLU 171 CO 0.07 0.96 0.45 0.77 -0.73 0.00 0.00 179.01 180.53 1k57 h SER 172 N 0.90 0.82 0.20 1.04 0.02 -0.65 -1.94 113.55 113.94 1k57 h SER 172 Ca 0.18 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1k57 h SER 172 Cb 0.46 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1k57 h SER 172 CO 0.02 0.62 -0.10 0.25 -1.14 0.00 0.00 176.83 176.48 1k57 h LEU 173 N 0.96 -0.23 -0.77 5.07 5.85 -0.81 0.85 115.31 126.23 1k57 h LEU 173 Ca 0.26 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.12 1k57 h LEU 173 Cb -0.08 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 40.91 1k57 h LEU 173 CO -0.05 -0.14 0.30 0.22 -0.34 0.00 0.00 178.44 178.43 1k57 h TYR 174 N -0.29 0.52 -0.00 1.25 3.20 -0.82 -0.89 116.97 119.94 1k57 h TYR 174 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1k57 h TYR 174 Cb 0.22 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1k57 h TYR 174 CO -0.06 0.05 0.00 1.28 -1.64 0.00 0.00 178.16 177.79 1k57 n LEU 175 N -5.01 0.02 -3.28 2.82 4.77 -0.75 -4.91 117.00 110.65 1k57 n LEU 175 Ca 0.15 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.89 1k57 n LEU 175 Cb 0.44 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.56 1k57 n LEU 175 CO 0.17 0.00 0.05 0.59 -1.33 0.00 0.00 177.39 176.88 1k57 n ASN 176 N -0.96 -5.65 -1.01 -1.43 3.02 -0.34 -4.92 115.26 103.97 1k57 n ASN 176 Ca 0.23 -0.40 0.11 0.00 -0.03 0.00 0.00 54.58 54.48 1k57 n ASN 176 Cb 0.11 -4.55 0.17 0.00 -0.61 0.00 0.00 39.78 34.90 1k57 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k57 n LYS 177 N -4.24 2.29 -1.42 3.52 5.02 0.24 -4.87 118.16 118.70 1k57 n LYS 177 Ca -0.06 -2.09 -0.31 0.00 -2.02 0.00 0.00 58.31 53.83 1k57 n LYS 177 Cb 0.59 -1.46 0.07 0.00 -0.02 0.00 0.00 35.03 34.21 1k57 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k57 s LEU 178 N -1.50 3.04 -1.28 -0.35 1.43 -1.24 -4.90 118.68 113.88 1k57 s LEU 178 Ca 0.33 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 54.95 1k57 s LEU 178 Cb 0.20 -4.47 0.10 0.00 0.03 0.00 0.00 46.19 42.05 1k57 s LEU 178 CO 0.28 -1.76 1.67 -1.20 0.23 0.00 0.00 176.35 175.57 1k57 n SER 179 N -3.34 5.01 -3.48 2.29 7.64 -1.26 -4.79 113.62 115.69 1k57 n SER 179 Ca 0.08 -2.94 -0.10 0.00 1.01 0.00 0.00 58.87 56.92 1k57 n SER 179 Cb 0.53 -1.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.01 1k57 n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k57 s ALA 180 N 3.49 -1.75 0.62 -0.43 0.00 -1.26 -5.01 121.76 117.43 1k57 s ALA 180 Ca 0.51 0.87 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 1k57 s ALA 180 Cb 0.02 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.63 1k57 s ALA 180 CO 0.06 -0.68 1.23 -1.54 0.00 0.00 0.00 175.76 174.83 1k57 s SER 181 N -2.44 4.91 0.26 0.00 1.04 -1.26 -4.87 113.70 111.34 1k57 s SER 181 Ca 0.02 2.46 -0.03 0.00 0.48 0.00 0.00 55.95 58.88 1k57 s SER 181 Cb -0.01 -2.60 0.40 0.00 0.10 0.00 0.00 66.02 63.90 1k57 s SER 181 CO -0.09 -1.79 1.89 0.50 0.98 0.00 0.00 173.24 174.73 1k57 h LYS 182 N 0.66 1.16 -0.30 4.02 3.64 -1.93 -2.03 116.57 121.79 1k57 h LYS 182 Ca -0.50 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 58.84 1k57 h LYS 182 Cb 1.31 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1k57 h LYS 182 CO 0.54 0.77 0.09 0.93 -2.27 0.00 0.00 179.45 179.51 1k57 h GLU 183 N 1.19 0.21 -0.12 1.90 5.08 -2.00 -1.54 114.58 119.31 1k57 h GLU 183 Ca 0.43 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 1k57 h GLU 183 Cb 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1k57 h GLU 183 CO -0.17 0.14 -0.38 -0.91 -1.00 0.00 0.00 179.01 176.69 1k57 h ASN 184 N 0.22 0.26 -0.54 1.42 2.35 -1.85 -1.29 115.58 116.15 1k57 h ASN 184 Ca 0.14 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1k57 h ASN 184 Cb 0.12 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1k57 h ASN 184 CO -0.15 0.63 0.25 1.56 -1.65 0.00 0.00 177.43 178.07 1k57 h GLN 185 N 0.22 0.79 -0.71 0.81 4.20 -0.97 -2.16 115.11 117.28 1k57 h GLN 185 Ca 0.02 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1k57 h GLN 185 Cb 0.78 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.39 1k57 h GLN 185 CO 0.06 0.66 0.30 -0.07 -0.67 0.00 0.00 178.83 179.11 1k57 h LEU 186 N 0.73 0.94 -0.03 1.46 3.38 -0.92 -0.59 115.31 120.29 1k57 h LEU 186 Ca 0.19 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1k57 h LEU 186 Cb 0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1k57 h LEU 186 CO -0.02 0.83 0.01 0.40 0.09 0.00 0.00 178.44 179.75 1k57 h ILE 187 N 1.02 1.11 -0.49 1.22 2.04 -1.07 -1.04 117.51 120.29 1k57 h ILE 187 Ca 0.24 -0.31 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 1k57 h ILE 187 Cb 0.16 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1k57 h ILE 187 CO -0.02 0.08 0.03 0.58 0.00 0.00 0.00 178.15 178.82 1k57 h VAL 188 N -0.08 1.24 -0.78 1.67 2.07 -1.20 -2.40 116.25 116.76 1k57 h VAL 188 Ca 0.01 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1k57 h VAL 188 Cb 0.12 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1k57 h VAL 188 CO -0.00 0.34 0.47 0.11 0.02 0.00 0.00 177.57 178.52 1k57 h LYS 189 N 0.75 1.06 -0.49 1.57 1.57 -0.80 -2.09 116.57 118.14 1k57 h LYS 189 Ca 0.15 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1k57 h LYS 189 Cb 0.42 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1k57 h LYS 189 CO 0.01 0.74 0.04 1.49 -0.57 0.00 0.00 179.45 181.17 1k57 h GLU 190 N 1.07 0.78 0.00 3.15 4.81 -0.88 -1.68 114.58 121.83 1k57 h GLU 190 Ca 0.28 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1k57 h GLU 190 Cb -0.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1k57 h GLU 190 CO -0.05 0.76 0.00 0.00 -0.73 0.00 0.00 179.01 178.99 1k57 h ALA 191 N 1.31 1.00 -0.01 2.92 0.00 -0.90 -2.63 119.26 120.95 1k57 h ALA 191 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k57 h ALA 191 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1k57 h ALA 191 CO 0.01 0.00 -0.47 1.28 0.00 0.00 0.00 179.25 180.07 1k57 n LEU 192 N -2.68 1.25 -4.72 0.00 4.77 -0.63 -4.73 117.00 110.26 1k57 n LEU 192 Ca -0.01 -0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 1k57 n LEU 192 Cb 0.13 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1k57 n LEU 192 CO 0.18 0.25 1.38 -0.69 -1.33 0.00 0.00 177.39 177.18 1k57 s VAL 193 N -2.64 2.03 0.00 4.08 1.01 -0.99 -1.13 120.40 122.75 1k57 s VAL 193 Ca 0.18 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1k57 s VAL 193 Cb 0.18 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1k57 s VAL 193 CO 0.61 0.00 0.00 0.35 0.00 0.00 0.00 175.10 176.06 1k57 n THR 194 N 4.02 0.00 -3.77 3.92 -2.24 0.51 -4.92 114.28 111.80 1k57 n THR 194 Ca 0.16 -0.07 -0.14 0.00 -2.27 0.00 0.00 64.05 61.73 1k57 n THR 194 Cb 0.35 0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.93 1k57 n THR 194 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k57 s GLU 195 N -0.59 0.05 -0.04 -0.78 2.12 -1.11 -4.96 118.70 113.39 1k57 s GLU 195 Ca 0.00 0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.62 1k57 s GLU 195 Cb 0.00 -0.17 0.02 0.00 0.26 0.00 0.00 34.13 34.23 1k57 s GLU 195 CO 0.00 -0.15 -0.06 0.00 -0.54 0.00 0.00 175.26 174.51 1k57 s ALA 196 N 1.00 0.75 0.15 6.30 0.00 -1.26 -0.30 121.76 128.40 1k57 s ALA 196 Ca -0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.65 1k57 s ALA 196 Cb -0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1k57 s ALA 196 CO -0.04 0.04 0.25 0.00 0.00 0.00 0.00 175.76 176.01 1k57 s ALA 197 N 0.67 0.03 0.26 0.00 0.00 0.25 -5.02 121.76 117.96 1k57 s ALA 197 Ca -0.10 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1k57 s ALA 197 Cb -0.13 0.80 0.41 0.00 0.00 0.00 0.00 23.12 24.20 1k57 s ALA 197 CO 0.01 -0.61 1.86 -1.35 0.00 0.00 0.00 175.76 175.67 1k57 h PRO 198 N 2.60 1.05 -0.10 0.00 0.11 -2.01 -2.74 132.00 130.91 1k57 h PRO 198 Ca -0.32 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1k57 h PRO 198 Cb 1.22 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 1k57 h PRO 198 CO 0.50 0.70 -0.38 0.39 -0.21 0.00 0.00 178.00 179.00 1k57 n GLU 199 N -4.56 1.65 -3.55 1.05 1.02 -1.26 -4.98 120.64 110.01 1k57 n GLU 199 Ca 0.15 -3.27 -0.03 0.00 -0.02 0.00 0.00 57.16 54.00 1k57 n GLU 199 Cb 0.21 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.91 1k57 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k57 s TYR 200 N -3.24 -1.21 -0.03 -0.32 6.14 -1.03 -1.34 117.35 116.31 1k57 s TYR 200 Ca 0.40 1.91 0.01 0.00 0.64 0.00 0.00 57.07 60.03 1k57 s TYR 200 Cb 0.38 0.58 0.02 0.00 0.42 0.00 0.00 41.96 43.36 1k57 s TYR 200 CO -0.05 -0.66 -0.02 -1.17 0.64 0.00 0.00 175.55 174.29 1k57 s LEU 201 N 2.79 1.29 -0.12 6.97 2.96 -0.30 -0.58 118.68 131.69 1k57 s LEU 201 Ca 0.01 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1k57 s LEU 201 Cb -0.13 -0.32 -0.00 0.00 0.50 0.00 0.00 46.19 46.23 1k57 s LEU 201 CO -0.17 -0.07 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.91 1k57 s VAL 202 N 0.90 2.50 -0.14 1.68 1.01 0.59 -0.93 120.40 126.01 1k57 s VAL 202 Ca -0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 1k57 s VAL 202 Cb -0.14 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1k57 s VAL 202 CO -0.01 0.54 -0.01 -1.00 0.00 0.00 0.00 175.10 174.62 1k57 s HIS 203 N 0.45 3.09 0.11 5.22 3.76 -0.37 -0.36 115.29 127.19 1k57 s HIS 203 Ca -0.13 -0.12 -0.25 0.00 -0.15 0.00 0.00 55.06 54.40 1k57 s HIS 203 Cb -0.17 -1.94 0.07 0.00 1.11 0.00 0.00 32.58 31.66 1k57 s HIS 203 CO 0.06 0.11 0.81 -1.54 -0.85 0.00 0.00 174.74 173.33 1k57 s SER 204 N 0.07 -0.36 -0.22 1.40 1.04 -0.28 -0.55 113.70 114.80 1k57 s SER 204 Ca 0.01 -0.17 -0.15 0.00 0.48 0.00 0.00 55.95 56.12 1k57 s SER 204 Cb -0.13 0.51 0.06 0.00 0.10 0.00 0.00 66.02 66.56 1k57 s SER 204 CO 0.02 -0.87 0.56 -0.75 0.98 0.00 0.00 173.24 173.18 1k57 s LYS 205 N -3.43 0.59 0.47 4.02 2.47 0.26 -4.80 119.74 119.32 1k57 s LYS 205 Ca 0.06 0.94 -0.02 0.00 -1.56 0.00 0.00 55.97 55.39 1k57 s LYS 205 Cb -0.02 0.15 -0.01 0.00 -1.46 0.00 0.00 37.83 36.49 1k57 s LYS 205 CO -0.05 -0.13 0.72 0.95 0.16 0.00 0.00 175.35 176.99 1k57 s THR 206 N 1.11 4.24 -0.05 3.43 -4.23 -1.26 -0.87 115.64 118.02 1k57 s THR 206 Ca -0.07 -0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 59.98 1k57 s THR 206 Cb -0.06 -3.59 0.04 0.00 1.34 0.00 0.00 72.50 70.23 1k57 s THR 206 CO -0.11 -0.48 0.41 -0.83 -0.54 0.00 0.00 174.62 173.08 1k57 s GLY 207 N -4.19 -0.27 -0.16 3.99 0.00 -0.49 -3.54 107.32 102.66 1k57 s GLY 207 Ca 0.48 0.70 -0.05 0.00 0.00 0.00 0.00 44.72 45.85 1k57 s GLY 207 CO 0.40 0.47 0.29 -0.12 0.00 0.00 0.00 173.10 174.13 1k57 s PHE 208 N -1.01 -0.48 -0.81 1.90 5.36 -1.26 -0.73 117.98 120.95 1k57 s PHE 208 Ca -0.11 0.92 0.26 0.00 -0.96 0.00 0.00 56.93 57.04 1k57 s PHE 208 Cb -0.04 -0.04 0.64 0.00 -0.34 0.00 0.00 43.02 43.25 1k57 s PHE 208 CO 0.05 -0.44 1.55 -1.13 -1.46 0.00 0.00 175.22 173.79 1k57 n SER 209 N 5.35 0.55 0.00 6.13 3.41 0.15 -4.69 113.62 124.53 1k57 n SER 209 Ca -0.06 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1k57 n SER 209 Cb 0.50 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1k57 n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k57 n GLY 210 N 1.40 0.67 0.10 5.00 0.00 -1.26 -4.90 105.19 106.20 1k57 n GLY 210 Ca 0.05 -2.26 0.11 0.00 0.00 0.00 0.00 46.02 43.92 1k57 n GLY 210 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k57 n VAL 211 N -0.12 0.00 0.00 1.61 0.24 -1.26 -3.82 118.33 114.98 1k57 n VAL 211 Ca 0.00 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 1k57 n VAL 211 Cb 0.00 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 1k57 n VAL 211 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k57 n GLY 212 N 1.47 3.36 3.42 7.63 0.00 -1.26 -3.03 105.19 116.78 1k57 n GLY 212 Ca 0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1k57 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k57 s THR 213 N 0.00 0.35 0.37 2.61 -4.23 -0.64 -4.89 115.64 109.21 1k57 s THR 213 Ca 0.00 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1k57 s THR 213 Cb 0.00 -2.40 0.15 0.00 1.34 0.00 0.00 72.50 71.59 1k57 s THR 213 CO 0.00 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 175.89 1k57 h GLU 214 N 1.95 0.30 0.15 3.99 4.81 -1.92 -1.78 114.58 122.08 1k57 h GLU 214 Ca -0.31 -0.07 -0.29 0.00 -0.13 0.00 0.00 59.36 58.55 1k57 h GLU 214 Cb 1.26 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.61 1k57 h GLU 214 CO 0.49 0.43 -1.36 0.66 -0.73 0.00 0.00 179.01 178.50 1k57 h SER 215 N 0.29 0.49 -2.64 1.04 4.64 -1.96 -3.39 113.55 112.01 1k57 h SER 215 Ca 0.06 -0.56 -0.60 0.00 -0.47 0.00 0.00 61.79 60.21 1k57 h SER 215 Cb 0.39 -0.16 -0.40 0.00 -0.31 0.00 0.00 62.40 61.92 1k57 h SER 215 CO 0.02 1.45 -0.79 0.59 -0.87 0.00 0.00 176.83 177.23 1k57 n ASN 216 N -3.55 1.27 -4.73 4.97 3.02 -1.16 -5.13 115.26 109.96 1k57 n ASN 216 Ca -0.12 -2.80 -0.31 0.00 -0.03 0.00 0.00 54.58 51.32 1k57 n ASN 216 Cb 1.04 -0.65 0.12 0.00 -0.61 0.00 0.00 39.78 39.68 1k57 n ASN 216 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1k57 s PRO 217 N -0.79 1.72 0.44 3.52 0.04 -0.68 -1.63 135.00 137.62 1k57 s PRO 217 Ca 0.30 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 1k57 s PRO 217 Cb 0.02 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.83 1k57 s PRO 217 CO -0.17 -2.04 0.55 0.41 0.04 0.00 0.00 177.00 175.78 1k57 n GLY 218 N -0.75 -1.58 3.23 0.56 0.00 0.37 -4.74 105.19 102.28 1k57 n GLY 218 Ca 0.09 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.24 1k57 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s VAL 219 N -2.16 1.51 0.05 1.61 0.11 -1.26 -1.12 120.40 119.14 1k57 s VAL 219 Ca 0.32 -1.28 0.07 0.00 -2.93 0.00 0.00 61.98 58.16 1k57 s VAL 219 Cb -0.01 -1.35 -0.02 0.00 -1.53 0.00 0.00 36.38 33.46 1k57 s VAL 219 CO 0.23 0.04 -0.19 0.00 -3.33 0.00 0.00 175.10 171.84 1k57 s ALA 220 N -0.97 1.62 0.10 1.54 0.00 -0.43 -0.67 121.76 122.94 1k57 s ALA 220 Ca 0.05 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1k57 s ALA 220 Cb -0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1k57 s ALA 220 CO 0.02 0.35 -0.13 -1.58 0.00 0.00 0.00 175.76 174.42 1k57 s TRP 221 N -0.83 1.26 -0.05 0.00 0.52 0.09 -1.06 118.94 118.87 1k57 s TRP 221 Ca 0.06 -0.54 -0.02 0.00 0.02 0.00 0.00 56.10 55.62 1k57 s TRP 221 Cb -0.09 -0.68 0.04 0.00 -1.15 0.00 0.00 33.47 31.59 1k57 s TRP 221 CO 0.02 0.08 0.09 -0.46 0.02 0.00 0.00 176.95 176.70 1k57 s TRP 222 N -1.86 -0.03 0.06 -1.98 -0.00 -0.63 -1.40 118.94 113.11 1k57 s TRP 222 Ca 0.04 0.36 0.04 0.00 -0.00 0.00 0.00 56.10 56.54 1k57 s TRP 222 Cb -0.06 -0.37 -0.03 0.00 -0.00 0.00 0.00 33.47 33.01 1k57 s TRP 222 CO 0.02 -0.20 -0.12 0.14 -0.00 0.00 0.00 176.95 176.79 1k57 s VAL 223 N 2.06 0.90 -4.15 5.86 -7.23 -0.05 -1.42 120.40 116.37 1k57 s VAL 223 Ca 0.02 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1k57 s VAL 223 Cb -0.12 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1k57 s VAL 223 CO -0.04 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 1k57 n GLY 224 N 1.40 -0.51 3.17 2.32 0.00 -0.75 -0.57 105.19 110.24 1k57 n GLY 224 Ca -0.21 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1k57 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k57 s TRP 225 N -3.29 0.09 -0.12 1.61 -2.14 0.29 -0.81 118.94 114.57 1k57 s TRP 225 Ca 0.00 -0.33 0.03 0.00 2.66 0.00 0.00 56.10 58.46 1k57 s TRP 225 Cb 0.00 -0.05 0.01 0.00 -3.10 0.00 0.00 33.47 30.32 1k57 s TRP 225 CO 0.00 -0.42 -0.22 0.08 -2.66 0.00 0.00 176.95 173.73 1k57 s VAL 226 N -2.63 2.02 -0.34 -0.66 1.01 0.16 -1.23 120.40 118.73 1k57 s VAL 226 Ca -0.05 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 1k57 s VAL 226 Cb -0.01 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1k57 s VAL 226 CO -0.04 0.55 0.16 -1.61 0.00 0.00 0.00 175.10 174.15 1k57 s GLU 227 N 0.65 3.02 -0.19 2.72 2.02 -0.10 -0.98 118.70 125.83 1k57 s GLU 227 Ca -0.11 -0.93 0.01 0.00 0.02 0.00 0.00 54.97 53.95 1k57 s GLU 227 Cb -0.16 -3.60 0.03 0.00 0.10 0.00 0.00 34.13 30.49 1k57 s GLU 227 CO 0.02 -0.56 -0.18 0.21 0.02 0.00 0.00 175.26 174.77 1k57 s LYS 228 N 1.55 2.76 2.40 1.61 2.20 -0.67 -1.15 119.74 128.44 1k57 s LYS 228 Ca 0.03 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1k57 s LYS 228 Cb -0.18 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1k57 s LYS 228 CO 0.06 -0.28 0.00 0.39 -0.36 0.00 0.00 175.35 175.15 1k57 n GLU 229 N 4.60 0.00 -0.69 4.03 1.02 -0.45 -0.25 120.64 128.89 1k57 n GLU 229 Ca -0.19 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.03 1k57 n GLU 229 Cb 0.48 0.00 0.34 0.00 -0.02 0.00 0.00 31.44 32.25 1k57 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k57 n THR 230 N 0.00 2.54 -4.21 2.62 -2.24 -1.26 -4.95 114.28 106.78 1k57 n THR 230 Ca 0.00 -1.62 -0.25 0.00 -2.27 0.00 0.00 64.05 59.92 1k57 n THR 230 Cb 0.00 -0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 67.90 1k57 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k57 s GLU 231 N -2.78 2.49 -0.00 -0.78 2.56 0.65 -5.12 118.70 115.72 1k57 s GLU 231 Ca 0.49 -1.18 0.03 0.00 0.00 0.00 0.00 54.97 54.31 1k57 s GLU 231 Cb 0.38 -2.35 -0.01 0.00 2.00 0.00 0.00 34.13 34.15 1k57 s GLU 231 CO 0.13 0.42 -0.09 0.54 -0.56 0.00 0.00 175.26 175.70 1k57 s VAL 232 N -1.98 0.73 -0.05 3.70 0.11 -1.26 -1.67 120.40 119.98 1k57 s VAL 232 Ca 0.30 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 1k57 s VAL 232 Cb -0.08 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1k57 s VAL 232 CO 0.20 0.16 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.71 1k57 s TYR 233 N -0.31 1.32 -0.11 1.54 1.51 -0.15 -0.53 117.35 120.61 1k57 s TYR 233 Ca 0.03 -0.42 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 1k57 s TYR 233 Cb -0.04 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1k57 s TYR 233 CO -0.00 -0.20 0.12 -0.06 -1.11 0.00 0.00 175.55 174.30 1k57 s PHE 234 N 0.44 3.53 0.05 2.71 0.40 0.32 -0.66 117.98 124.78 1k57 s PHE 234 Ca -0.09 0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 56.66 1k57 s PHE 234 Cb -0.13 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 1k57 s PHE 234 CO 0.02 0.69 0.07 -0.59 0.70 0.00 0.00 175.22 176.12 1k57 s PHE 235 N -1.03 0.30 -0.19 0.36 -0.12 0.01 0.04 117.98 117.35 1k57 s PHE 235 Ca 0.16 -0.72 -0.13 0.00 -0.05 0.00 0.00 56.93 56.19 1k57 s PHE 235 Cb -0.12 -0.21 0.06 0.00 -0.63 0.00 0.00 43.02 42.12 1k57 s PHE 235 CO 0.05 -0.41 0.47 0.00 -0.05 0.00 0.00 175.22 175.27 1k57 s ALA 236 N -3.34 -1.19 -0.04 1.99 0.00 -0.18 -1.82 121.76 117.18 1k57 s ALA 236 Ca 0.01 1.57 0.02 0.00 0.00 0.00 0.00 51.96 53.56 1k57 s ALA 236 Cb 0.03 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1k57 s ALA 236 CO -0.08 -0.26 -0.10 0.12 0.00 0.00 0.00 175.76 175.44 1k57 s PHE 237 N 1.01 1.08 0.05 0.00 2.19 -0.50 -0.26 117.98 121.54 1k57 s PHE 237 Ca -0.06 -0.31 -0.01 0.00 0.33 0.00 0.00 56.93 56.88 1k57 s PHE 237 Cb -0.06 -0.79 -0.03 0.00 -1.31 0.00 0.00 43.02 40.83 1k57 s PHE 237 CO -0.09 -0.15 -0.01 0.54 1.83 0.00 0.00 175.22 177.34 1k57 s ASN 238 N 0.37 0.42 -0.04 6.13 2.20 -0.49 -1.60 114.94 121.93 1k57 s ASN 238 Ca -0.07 -0.88 -0.16 0.00 -0.94 0.00 0.00 52.86 50.82 1k57 s ASN 238 Cb -0.11 0.19 0.03 0.00 -2.00 0.00 0.00 41.25 39.36 1k57 s ASN 238 CO 0.01 -0.55 0.34 0.00 -2.94 0.00 0.00 177.10 173.96 1k57 s MET 239 N -3.44 0.66 0.28 3.55 0.23 -0.22 -1.12 119.30 119.23 1k57 s MET 239 Ca 0.02 -0.05 -0.29 0.00 -1.03 0.00 0.00 55.69 54.34 1k57 s MET 239 Cb 0.04 0.30 -0.10 0.00 -1.53 0.00 0.00 34.83 33.54 1k57 s MET 239 CO -0.08 -0.17 1.16 -0.51 -2.03 0.00 0.00 175.02 173.39 1k57 s ASP 240 N -1.08 7.13 -0.11 -1.18 1.01 -0.33 -1.32 116.67 120.79 1k57 s ASP 240 Ca -0.11 2.36 -0.05 0.00 0.71 0.00 0.00 52.55 55.45 1k57 s ASP 240 Cb -0.04 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.31 1k57 s ASP 240 CO 0.04 -0.26 0.26 -0.51 0.21 0.00 0.00 175.17 174.90 1k57 s ILE 241 N -0.99 -0.10 -0.01 0.77 2.07 -0.27 -4.72 121.20 117.94 1k57 s ILE 241 Ca 0.47 0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.89 1k57 s ILE 241 Cb -0.34 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 41.87 1k57 s ILE 241 CO 0.43 0.07 0.91 -0.90 -1.91 0.00 0.00 174.94 173.54 1k57 n ASP 242 N 4.42 1.61 -3.69 4.50 3.85 -1.26 -0.48 116.55 125.50 1k57 n ASP 242 Ca -0.22 -1.88 -0.11 0.00 -0.71 0.00 0.00 54.79 51.87 1k57 n ASP 242 Cb 0.53 -0.03 -0.11 0.00 -1.35 0.00 0.00 41.12 40.15 1k57 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k57 s ASN 243 N -0.94 -0.25 0.61 -1.12 3.84 -1.26 -4.86 114.94 110.96 1k57 s ASN 243 Ca 0.02 0.80 0.35 0.00 0.21 0.00 0.00 52.86 54.24 1k57 s ASN 243 Cb 0.02 0.84 2.02 0.00 -0.55 0.00 0.00 41.25 43.57 1k57 s ASN 243 CO 0.00 -0.21 2.29 -0.08 -2.79 0.00 0.00 177.10 176.32 1k57 h GLU 244 N 7.60 0.00 0.00 0.43 4.81 -1.97 -1.48 114.58 123.98 1k57 h GLU 244 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1k57 h GLU 244 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1k57 h GLU 244 CO 0.24 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 179.18 1k57 h SER 245 N 0.00 0.00 0.26 1.04 4.64 -2.04 -1.89 113.55 115.56 1k57 h SER 245 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k57 h SER 245 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1k57 h SER 245 CO 0.00 0.00 -0.14 0.29 -0.87 0.00 0.00 176.83 176.11 1k57 n LYS 246 N -2.52 0.87 -0.29 4.77 4.76 -0.56 -4.54 118.16 120.66 1k57 n LYS 246 Ca 0.01 -0.41 0.11 0.00 -2.87 0.00 0.00 58.31 55.15 1k57 n LYS 246 Cb 0.23 -1.49 0.25 0.00 -1.84 0.00 0.00 35.03 32.18 1k57 n LYS 246 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1k57 h LEU 247 N 0.99 -0.14 -1.68 -0.35 3.38 -1.50 -2.20 115.31 113.81 1k57 h LEU 247 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1k57 h LEU 247 Cb 0.41 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1k57 h LEU 247 CO 0.00 -0.18 0.00 1.55 0.09 0.00 0.00 178.44 179.90 1k57 h PRO 248 N 0.16 0.00 0.00 1.13 0.13 -1.84 -2.18 132.00 129.40 1k57 h PRO 248 Ca 0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.64 1k57 h PRO 248 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1k57 h PRO 248 CO -0.68 0.00 -0.00 -0.07 -0.23 0.00 0.00 178.00 177.02 1k57 h LEU 249 N 0.00 0.00 -2.30 1.56 3.38 -1.75 -0.92 115.31 115.28 1k57 h LEU 249 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1k57 h LEU 249 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1k57 h LEU 249 CO 0.00 0.00 0.15 0.08 0.09 0.00 0.00 178.44 178.76 1k57 h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.58 -1.48 114.38 112.56 1k57 h ARG 250 Ca -0.00 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.85 1k57 h ARG 250 Cb 0.01 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.05 1k57 h ARG 250 CO 0.00 0.00 -1.88 1.63 0.10 0.00 0.00 179.97 179.82 1k57 n LYS 251 N -3.79 0.75 0.06 0.08 5.02 -0.46 -4.42 118.16 115.40 1k57 n LYS 251 Ca 0.00 0.07 -0.06 0.00 -2.02 0.00 0.00 58.31 56.30 1k57 n LYS 251 Cb 0.25 -1.31 0.11 0.00 -0.02 0.00 0.00 35.03 34.06 1k57 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k57 h SER 252 N 0.00 0.39 0.17 4.39 4.64 -1.09 -1.12 113.55 120.93 1k57 h SER 252 Ca -0.35 -0.21 -0.01 0.00 -0.47 0.00 0.00 61.79 60.75 1k57 h SER 252 Cb 1.59 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 1k57 h SER 252 CO -0.04 0.88 -0.08 0.40 -0.87 0.00 0.00 176.83 177.12 1k57 h ILE 253 N 0.26 0.95 -0.98 0.95 2.04 -1.54 -1.20 117.51 117.99 1k57 h ILE 253 Ca -0.00 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.16 1k57 h ILE 253 Cb 1.08 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.49 1k57 h ILE 253 CO 0.10 0.16 0.64 1.55 0.00 0.00 0.00 178.15 180.60 1k57 h PRO 254 N -0.60 1.23 -0.52 2.37 0.13 -1.77 -1.62 132.00 131.23 1k57 h PRO 254 Ca -0.02 -0.07 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1k57 h PRO 254 Cb 0.45 -0.28 -0.04 0.00 0.13 0.00 0.00 31.00 31.26 1k57 h PRO 254 CO 0.04 0.82 0.30 1.15 -0.23 0.00 0.00 178.00 180.07 1k57 h THR 255 N 1.27 1.02 -0.48 1.56 2.02 -1.11 -1.16 112.91 116.02 1k57 h THR 255 Ca 0.38 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.29 1k57 h THR 255 Cb -0.06 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1k57 h THR 255 CO -0.11 0.11 0.04 0.11 0.37 0.00 0.00 175.52 176.04 1k57 h LYS 256 N 0.58 0.78 -0.10 6.66 1.57 -0.82 0.20 116.57 125.44 1k57 h LYS 256 Ca 0.21 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1k57 h LYS 256 Cb 0.06 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1k57 h LYS 256 CO -0.11 0.76 0.01 0.82 -0.57 0.00 0.00 179.45 180.36 1k57 h ILE 257 N 0.74 1.23 -0.42 1.86 2.04 -0.96 -1.13 117.51 120.86 1k57 h ILE 257 Ca 0.15 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1k57 h ILE 257 Cb 0.39 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1k57 h ILE 257 CO 0.01 0.20 0.25 0.24 0.00 0.00 0.00 178.15 178.86 1k57 h MET 258 N -0.07 0.58 -0.83 2.37 2.86 -0.90 -2.01 114.93 116.93 1k57 h MET 258 Ca 0.03 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1k57 h MET 258 Cb 0.31 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 1k57 h MET 258 CO 0.00 0.43 0.50 0.93 1.06 0.00 0.00 176.91 179.83 1k57 h GLU 259 N 0.56 0.87 0.00 1.72 5.08 -0.52 -0.02 114.58 122.26 1k57 h GLU 259 Ca 0.15 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1k57 h GLU 259 Cb 0.01 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1k57 h GLU 259 CO -0.03 0.58 -0.01 0.66 -1.00 0.00 0.00 179.01 179.21 1k57 h SER 260 N 0.90 0.00 -0.32 1.42 4.64 -0.48 0.19 113.55 119.89 1k57 h SER 260 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1k57 h SER 260 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1k57 h SER 260 CO -0.19 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.16 1k57 n GLU 261 N -3.75 2.15 -0.42 4.77 -0.58 -0.46 -4.92 120.64 117.44 1k57 n GLU 261 Ca -0.03 -1.74 0.00 0.00 -0.42 0.00 0.00 57.16 54.97 1k57 n GLU 261 Cb 0.09 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 1k57 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k57 n GLY 262 N 1.33 0.77 3.37 0.62 0.00 0.05 -4.99 105.19 106.34 1k57 n GLY 262 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1k57 n GLY 262 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k57 s ILE 263 N -2.21 5.08 0.00 -0.61 1.01 -0.15 -4.92 121.20 119.40 1k57 s ILE 263 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 60.65 58.78 1k57 s ILE 263 Cb 0.00 -4.53 0.06 0.00 0.01 0.00 0.00 42.46 38.00 1k57 s ILE 263 CO 0.00 -1.16 0.58 -0.51 0.00 0.00 0.00 174.94 173.85 1k57 s ILE 264 N 1.83 0.02 -2.00 2.92 2.07 -1.26 -3.43 121.20 121.34 1k57 s ILE 264 Ca 0.17 -0.14 0.21 0.00 -1.41 0.00 0.00 60.65 59.48 1k57 s ILE 264 Cb -0.16 -0.94 0.60 0.00 0.13 0.00 0.00 42.46 42.08 1k57 s ILE 264 CO -0.02 -0.08 1.64 0.61 -1.91 0.00 0.00 174.94 175.18