#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k54 s THR 23 N 0.00 5.06 -0.14 9.51 -4.23 -0.82 -4.99 115.64 120.03 1k54 s THR 23 Ca 0.00 -0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 59.86 1k54 s THR 23 Cb 0.00 -3.83 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1k54 s THR 23 CO 0.00 -0.49 0.04 -0.70 -0.54 0.00 0.00 174.62 172.94 1k54 s GLU 24 N -4.25 3.60 -0.51 3.99 2.12 -1.26 -1.64 118.70 120.75 1k54 s GLU 24 Ca 0.39 -0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.40 1k54 s GLU 24 Cb -0.09 -3.06 0.14 0.00 0.26 0.00 0.00 34.13 31.37 1k54 s GLU 24 CO 0.34 0.46 0.28 1.21 -0.54 0.00 0.00 175.26 177.01 1k54 s ASN 25 N -0.17 4.10 0.29 -1.70 3.84 0.14 -4.91 114.94 116.53 1k54 s ASN 25 Ca 0.07 -2.98 0.24 0.00 0.21 0.00 0.00 52.86 50.39 1k54 s ASN 25 Cb -0.12 -1.43 1.06 0.00 -0.55 0.00 0.00 41.25 40.20 1k54 s ASN 25 CO 0.02 -0.23 1.71 0.35 -2.79 0.00 0.00 177.10 176.16 1k54 n THR 26 N 3.13 0.87 0.30 -5.21 -2.24 -1.26 -2.06 114.28 107.80 1k54 n THR 26 Ca 0.08 0.36 0.19 0.00 -2.27 0.00 0.00 64.05 62.42 1k54 n THR 26 Cb 0.33 -1.32 0.93 0.00 -2.10 0.00 0.00 70.33 68.18 1k54 n THR 26 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1k54 h SER 27 N 0.00 0.00 1.01 3.42 4.64 -1.92 -1.71 113.55 118.99 1k54 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k54 h SER 27 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1k54 h SER 27 CO 0.00 0.01 0.00 -0.50 -0.87 0.00 0.00 176.83 175.47 1k54 h TRP 28 N 0.00 0.00 -0.03 4.77 6.55 -1.78 -3.13 115.95 122.33 1k54 h TRP 28 Ca -0.00 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1k54 h TRP 28 Cb 0.26 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.56 1k54 h TRP 28 CO 0.00 0.00 0.02 -0.91 -1.05 0.00 0.00 178.44 176.50 1k54 h ASN 29 N 0.00 0.00 -1.00 -3.49 2.35 -1.51 -2.20 115.58 109.73 1k54 h ASN 29 Ca 0.00 0.00 0.23 0.00 -0.55 0.00 0.00 56.30 55.98 1k54 h ASN 29 Cb 0.51 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.76 1k54 h ASN 29 CO 0.00 0.00 0.58 0.11 -1.65 0.00 0.00 177.43 176.47 1k54 h LYS 30 N 0.00 0.58 0.00 0.81 6.56 -1.75 0.40 116.57 123.18 1k54 h LYS 30 Ca 0.01 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.52 1k54 h LYS 30 Cb 0.06 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.58 1k54 h LYS 30 CO -0.00 0.39 -0.21 0.93 -2.06 0.00 0.00 179.45 178.49 1k54 h GLU 31 N 0.60 0.00 0.05 3.15 3.07 -1.65 -2.98 114.58 116.81 1k54 h GLU 31 Ca 0.63 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 59.18 1k54 h GLU 31 Cb 1.15 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 1k54 h GLU 31 CO -0.46 0.21 -1.73 0.74 -1.40 0.00 0.00 179.01 176.37 1k54 h PHE 32 N 0.00 0.18 -0.66 4.33 -1.00 -1.10 -3.40 116.94 115.28 1k54 h PHE 32 Ca -0.00 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.61 1k54 h PHE 32 Cb 0.57 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1k54 h PHE 32 CO 0.00 1.25 0.25 0.77 -1.61 0.00 0.00 178.31 178.97 1k54 h SER 33 N 0.03 0.92 -0.55 2.17 0.02 -1.10 -1.93 113.55 113.11 1k54 h SER 33 Ca -0.30 -0.18 0.16 0.00 -0.84 0.00 0.00 61.79 60.63 1k54 h SER 33 Cb 2.01 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 64.29 1k54 h SER 33 CO 0.09 0.85 0.41 0.00 -1.14 0.00 0.00 176.83 177.04 1k54 h ALA 34 N 1.11 2.48 -0.46 3.77 0.00 -1.77 -0.56 119.26 123.82 1k54 h ALA 34 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k54 h ALA 34 Cb 0.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1k54 h ALA 34 CO -0.02 -0.69 0.00 0.39 0.00 0.00 0.00 179.25 178.94 1k54 n GLU 35 N -4.29 2.69 -3.88 0.00 -0.58 -1.01 -4.96 120.64 108.60 1k54 n GLU 35 Ca 0.10 -2.22 -0.27 0.00 -0.42 0.00 0.00 57.16 54.35 1k54 n GLU 35 Cb 0.64 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 30.14 1k54 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k54 n ALA 36 N 0.96 -1.72 -2.78 0.62 0.00 -0.22 -4.95 120.51 112.42 1k54 n ALA 36 Ca 0.16 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.18 1k54 n ALA 36 Cb 0.49 -2.75 -0.09 0.00 0.00 0.00 0.00 19.45 17.11 1k54 n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k54 s VAL 37 N -3.59 4.61 -0.30 0.00 1.01 -0.76 -5.04 120.40 116.33 1k54 s VAL 37 Ca 0.28 -0.12 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1k54 s VAL 37 Cb -0.14 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1k54 s VAL 37 CO 0.85 0.56 0.17 0.20 0.00 0.00 0.00 175.10 176.88 1k54 s ASN 38 N -0.47 5.72 0.11 3.32 0.02 -1.26 -4.57 114.94 117.81 1k54 s ASN 38 Ca 0.09 -0.33 -0.13 0.00 -1.02 0.00 0.00 52.86 51.47 1k54 s ASN 38 Cb -0.12 -2.05 0.05 0.00 0.02 0.00 0.00 41.25 39.15 1k54 s ASN 38 CO 0.02 -0.15 0.63 0.61 0.02 0.00 0.00 177.10 178.23 1k54 n GLY 39 N 5.02 0.86 3.07 0.66 0.00 -1.26 -0.91 105.19 112.63 1k54 n GLY 39 Ca -0.14 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1k54 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k54 s VAL 40 N -2.26 0.08 -0.05 1.61 0.11 0.50 -4.88 120.40 115.51 1k54 s VAL 40 Ca 0.14 -0.62 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 1k54 s VAL 40 Cb -0.02 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1k54 s VAL 40 CO 0.03 -0.34 -0.12 0.12 -3.33 0.00 0.00 175.10 171.46 1k54 s PHE 41 N -1.17 1.38 -0.12 1.54 5.99 -1.26 -1.28 117.98 123.07 1k54 s PHE 41 Ca -0.13 -0.46 0.03 0.00 0.00 0.00 0.00 56.93 56.37 1k54 s PHE 41 Cb -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 43.02 41.96 1k54 s PHE 41 CO 0.01 -0.22 -0.22 0.08 -0.00 0.00 0.00 175.22 174.86 1k54 s VAL 42 N 0.49 1.99 -0.07 3.12 1.01 -0.01 -3.11 120.40 123.82 1k54 s VAL 42 Ca -0.11 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1k54 s VAL 42 Cb -0.14 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1k54 s VAL 42 CO 0.03 0.54 -0.06 -0.22 0.00 0.00 0.00 175.10 175.39 1k54 s LEU 43 N 0.62 1.27 -0.07 3.92 2.96 -0.02 -1.42 118.68 125.94 1k54 s LEU 43 Ca -0.12 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1k54 s LEU 43 Cb -0.17 -0.62 0.01 0.00 0.50 0.00 0.00 46.19 45.92 1k54 s LEU 43 CO 0.03 -0.07 -0.15 0.00 -1.32 0.00 0.00 176.35 174.84 1k54 s LYS 45 N 0.51 4.12 0.00 0.00 2.20 -0.93 -0.66 119.74 124.98 1k54 s LYS 45 Ca -0.14 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1k54 s LYS 45 Cb -0.15 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1k54 s LYS 45 CO 0.04 0.10 0.00 0.43 -0.36 0.00 0.00 175.35 175.56 1k54 n SER 46 N 4.14 0.00 -3.82 1.43 7.64 0.71 -4.57 113.62 119.14 1k54 n SER 46 Ca -0.14 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.66 1k54 n SER 46 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1k54 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k54 s SER 47 N 0.00 -0.20 0.00 6.43 1.04 -1.26 -4.92 113.70 114.79 1k54 s SER 47 Ca 0.00 -0.71 0.11 0.00 0.48 0.00 0.00 55.95 55.83 1k54 s SER 47 Cb 0.00 0.71 0.66 0.00 0.10 0.00 0.00 66.02 67.49 1k54 s SER 47 CO 0.00 -1.33 1.21 -1.54 0.98 0.00 0.00 173.24 172.56 1k54 n SER 48 N -0.51 0.00 -0.15 7.02 3.41 -1.26 -2.43 113.62 119.70 1k54 n SER 48 Ca -0.04 -1.09 0.13 0.00 -0.26 0.00 0.00 58.87 57.61 1k54 n SER 48 Cb 0.60 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.92 1k54 n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k54 n LYS 49 N -0.74 0.54 -3.36 4.33 4.01 -1.26 -4.42 118.16 117.26 1k54 n LYS 49 Ca 0.08 -0.30 -0.26 0.00 -0.51 0.00 0.00 58.31 57.33 1k54 n LYS 49 Cb 0.04 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 32.98 1k54 n LYS 49 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1k54 n SER 50 N -0.97 1.39 -4.67 4.39 7.64 -1.02 -4.75 113.62 115.63 1k54 n SER 50 Ca 0.10 -2.91 -0.28 0.00 1.01 0.00 0.00 58.87 56.79 1k54 n SER 50 Cb 0.34 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 62.81 1k54 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k54 s ALA 52 N -1.55 0.79 0.06 0.00 0.00 0.19 -1.94 121.76 119.31 1k54 s ALA 52 Ca 0.26 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 1k54 s ALA 52 Cb -0.10 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.06 1k54 s ALA 52 CO 0.18 -0.00 0.32 -0.08 0.00 0.00 0.00 175.76 176.17 1k54 s THR 53 N -1.68 0.08 -0.07 0.00 -1.32 -0.65 -0.84 115.64 111.17 1k54 s THR 53 Ca -0.05 -0.70 0.20 0.00 -1.21 0.00 0.00 61.69 59.94 1k54 s THR 53 Cb -0.08 -1.02 0.18 0.00 -1.51 0.00 0.00 72.50 70.07 1k54 s THR 53 CO 0.00 -0.39 1.64 -0.55 -2.21 0.00 0.00 174.62 173.12 1k54 h ASN 54 N 3.01 0.00 -2.09 8.08 -1.07 -1.70 0.40 115.58 122.21 1k54 h ASN 54 Ca -0.32 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 55.74 1k54 h ASN 54 Cb 1.21 0.00 -0.33 0.00 -2.07 0.00 0.00 38.32 37.13 1k54 h ASN 54 CO 0.47 0.30 -0.62 -0.62 0.07 0.00 0.00 177.43 177.03 1k54 s ASP 55 N -6.29 1.51 0.23 6.14 3.68 -1.26 -4.31 116.67 116.37 1k54 s ASP 55 Ca 0.03 -0.71 -0.06 0.00 2.13 0.00 0.00 52.55 53.94 1k54 s ASP 55 Cb 0.08 0.59 0.32 0.00 -1.45 0.00 0.00 42.92 42.46 1k54 s ASP 55 CO 0.68 -0.39 1.84 -0.07 0.13 0.00 0.00 175.17 177.36 1k54 h LEU 56 N 8.25 0.75 0.21 -1.34 3.38 -1.93 -0.40 115.31 124.24 1k54 h LEU 56 Ca -0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1k54 h LEU 56 Cb 1.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1k54 h LEU 56 CO 0.33 0.47 -0.10 0.00 0.09 0.00 0.00 178.44 179.23 1k54 h ALA 57 N 1.40 -0.29 0.00 1.53 0.00 -2.00 -2.95 119.26 116.95 1k54 h ALA 57 Ca 0.36 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1k54 h ALA 57 Cb 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1k54 h ALA 57 CO -0.18 -0.61 -0.39 -0.09 0.00 0.00 0.00 179.25 177.97 1k54 h ARG 58 N -0.38 0.00 -0.59 0.00 2.43 -1.90 -2.68 114.38 111.26 1k54 h ARG 58 Ca -0.03 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1k54 h ARG 58 Cb 0.30 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1k54 h ARG 58 CO 0.05 0.39 0.40 0.00 -1.51 0.00 0.00 179.97 179.31 1k54 h ALA 59 N 1.61 2.26 -0.01 2.80 0.00 -0.89 -1.82 119.26 123.21 1k54 h ALA 59 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k54 h ALA 59 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1k54 h ALA 59 CO 0.05 -0.42 -0.45 -1.13 0.00 0.00 0.00 179.25 177.30 1k54 n SER 60 N -4.43 1.87 -4.77 0.00 3.41 -1.03 -2.26 113.62 106.42 1k54 n SER 60 Ca 0.10 -1.44 -0.38 0.00 -0.26 0.00 0.00 58.87 56.89 1k54 n SER 60 Cb 0.51 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 1k54 n SER 60 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1k54 s LYS 61 N -2.31 4.23 -0.16 4.33 1.02 -0.68 -4.75 119.74 121.42 1k54 s LYS 61 Ca 0.16 1.78 -0.06 0.00 0.02 0.00 0.00 55.97 57.87 1k54 s LYS 61 Cb 0.16 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 1k54 s LYS 61 CO 0.53 -0.15 0.05 -1.21 -0.92 0.00 0.00 175.35 173.65 1k54 s GLU 62 N -2.12 3.80 0.17 1.68 2.02 -1.26 -3.98 118.70 119.01 1k54 s GLU 62 Ca 0.54 -0.35 0.07 0.00 0.02 0.00 0.00 54.97 55.25 1k54 s GLU 62 Cb -0.29 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1k54 s GLU 62 CO 0.37 0.36 -0.15 0.71 0.02 0.00 0.00 175.26 176.58 1k54 s TYR 63 N 0.11 1.62 0.10 1.61 1.51 -0.24 -4.64 117.35 117.41 1k54 s TYR 63 Ca 0.05 -0.56 -0.35 0.00 -1.01 0.00 0.00 57.07 55.19 1k54 s TYR 63 Cb -0.12 -0.79 -0.15 0.00 -0.11 0.00 0.00 41.96 40.78 1k54 s TYR 63 CO 0.01 0.28 1.50 1.28 -1.11 0.00 0.00 175.55 177.51 1k54 n LEU 64 N 0.01 2.49 0.22 -1.29 4.77 -1.26 -0.90 117.00 121.03 1k54 n LEU 64 Ca -0.11 1.09 0.10 0.00 -0.03 0.00 0.00 56.01 57.06 1k54 n LEU 64 Cb 0.59 -1.31 0.43 0.00 -2.33 0.00 0.00 43.42 40.79 1k54 n LEU 64 CO 0.31 -0.59 0.78 1.55 -1.33 0.00 0.00 177.39 178.11 1k54 h PRO 65 N 5.60 0.00 0.00 3.23 0.13 -1.76 -3.47 132.00 135.73 1k54 h PRO 65 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k54 h PRO 65 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1k54 h PRO 65 CO 0.85 0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.86 1k54 n ALA 66 N -2.22 0.00 0.62 -0.56 0.00 -0.38 -1.87 120.51 116.10 1k54 n ALA 66 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1k54 n ALA 66 Cb 0.45 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.23 1k54 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k54 n SER 67 N 0.33 0.00 0.25 0.00 7.64 -1.26 -1.38 113.62 119.21 1k54 n SER 67 Ca 0.00 0.13 0.17 0.00 1.01 0.00 0.00 58.87 60.18 1k54 n SER 67 Cb 0.00 -0.31 0.75 0.00 -1.01 0.00 0.00 64.21 63.64 1k54 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k54 h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.43 -1.64 112.91 111.63 1k54 h THR 68 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1k54 h THR 68 Cb 0.14 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1k54 h THR 68 CO 0.00 0.00 0.00 0.15 -0.25 0.00 0.00 175.52 175.42 1k54 h PHE 69 N 0.00 0.00 -0.03 4.73 3.57 -1.37 -2.65 116.94 121.19 1k54 h PHE 69 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1k54 h PHE 69 Cb 0.35 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1k54 h PHE 69 CO 0.00 0.00 0.03 0.87 -2.23 0.00 0.00 178.31 176.98 1k54 h LYS 70 N 0.00 0.00 0.65 1.11 1.57 -1.51 -1.01 116.57 117.37 1k54 h LYS 70 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1k54 h LYS 70 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1k54 h LYS 70 CO 0.00 0.00 -0.31 0.82 -0.57 0.00 0.00 179.45 179.39 1k54 h ILE 71 N 0.00 0.00 -0.78 1.86 2.04 -1.69 -0.09 117.51 118.85 1k54 h ILE 71 Ca 0.01 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1k54 h ILE 71 Cb 0.07 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.11 1k54 h ILE 71 CO -0.00 0.00 0.44 1.55 0.00 0.00 0.00 178.15 180.14 1k54 h PRO 72 N -1.02 1.06 -0.75 2.37 0.13 -1.74 -2.44 132.00 129.61 1k54 h PRO 72 Ca -0.09 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1k54 h PRO 72 Cb 0.67 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.54 1k54 h PRO 72 CO 0.15 0.76 0.48 -0.97 -0.23 0.00 0.00 178.00 178.19 1k54 h ASN 73 N 1.08 0.88 -0.53 1.44 -0.00 -1.16 -0.11 115.58 117.18 1k54 h ASN 73 Ca 0.28 -0.04 -0.07 0.00 -0.00 0.00 0.00 56.30 56.46 1k54 h ASN 73 Cb -0.01 -0.22 -0.02 0.00 -0.00 0.00 0.00 38.32 38.07 1k54 h ASN 73 CO -0.05 0.66 0.05 0.00 -0.00 0.00 0.00 177.43 178.09 1k54 h ALA 74 N 1.26 0.70 -0.32 1.57 0.00 -0.78 0.72 119.26 122.41 1k54 h ALA 74 Ca 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k54 h ALA 74 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1k54 h ALA 74 CO -0.06 0.48 0.15 0.82 0.00 0.00 0.00 179.25 180.64 1k54 h ILE 75 N 0.78 1.17 -0.67 0.00 2.04 -1.03 -1.59 117.51 118.21 1k54 h ILE 75 Ca 0.16 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1k54 h ILE 75 Cb 0.46 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1k54 h ILE 75 CO 0.02 0.17 0.23 0.40 0.00 0.00 0.00 178.15 178.97 1k54 h ILE 76 N 0.38 1.25 -0.75 -0.67 2.04 -0.90 -0.19 117.51 118.67 1k54 h ILE 76 Ca 0.11 -0.84 0.08 0.00 1.00 0.00 0.00 64.86 65.21 1k54 h ILE 76 Cb 0.14 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1k54 h ILE 76 CO -0.01 0.33 0.42 1.23 0.00 0.00 0.00 178.15 180.12 1k54 h GLY 77 N 0.97 1.13 0.96 5.37 0.00 -0.65 -0.29 103.07 110.57 1k54 h GLY 77 Ca 0.22 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.12 1k54 h GLY 77 CO -0.01 0.14 -0.41 1.41 0.00 0.00 0.00 176.54 177.67 1k54 h LEU 78 N 0.74 0.73 -0.59 3.11 3.38 -0.91 0.12 115.31 121.89 1k54 h LEU 78 Ca 0.35 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1k54 h LEU 78 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1k54 h LEU 78 CO -0.22 1.14 0.32 -0.33 0.09 0.00 0.00 178.44 179.44 1k54 h GLU 79 N 0.34 0.82 0.00 1.13 4.39 -0.68 -2.75 114.58 117.84 1k54 h GLU 79 Ca 0.01 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1k54 h GLU 79 Cb 1.01 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1k54 h GLU 79 CO 0.09 0.63 -0.01 0.25 -1.16 0.00 0.00 179.01 178.81 1k54 n THR 80 N -4.58 0.15 -0.44 1.13 -2.24 -0.15 -4.91 114.28 103.24 1k54 n THR 80 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1k54 n THR 80 Cb 0.09 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1k54 n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k54 n GLY 81 N 1.45 0.87 0.35 3.38 0.00 -1.04 -4.92 105.19 105.28 1k54 n GLY 81 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1k54 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k54 h VAL 82 N 0.00 1.19 -3.74 1.61 2.07 -1.37 -3.34 116.25 112.67 1k54 h VAL 82 Ca 0.00 -0.35 -0.64 0.00 0.82 0.00 0.00 66.70 66.53 1k54 h VAL 82 Cb 0.00 0.09 -0.18 0.00 -1.52 0.00 0.00 31.29 29.68 1k54 h VAL 82 CO 0.00 0.19 -0.55 -0.63 0.02 0.00 0.00 177.57 176.59 1k54 s ILE 83 N -5.85 4.99 0.03 4.57 1.01 0.26 -4.99 121.20 121.22 1k54 s ILE 83 Ca -0.11 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 1k54 s ILE 83 Cb 0.18 -3.35 -0.17 0.00 0.01 0.00 0.00 42.46 39.12 1k54 s ILE 83 CO 0.78 0.30 1.39 0.50 0.00 0.00 0.00 174.94 177.92 1k54 h LYS 84 N 8.10 -0.29 0.00 2.79 3.64 -1.87 -3.39 116.57 125.56 1k54 h LYS 84 Ca -0.36 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1k54 h LYS 84 Cb 1.18 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1k54 h LYS 84 CO 0.58 -0.01 0.23 0.27 -2.27 0.00 0.00 179.45 178.25 1k54 n ASN 85 N -5.11 -1.23 0.29 4.20 0.23 -1.26 -5.02 115.26 107.37 1k54 n ASN 85 Ca -0.09 -1.79 0.17 0.00 -0.53 0.00 0.00 54.58 52.34 1k54 n ASN 85 Cb 0.22 2.03 0.90 0.00 -2.08 0.00 0.00 39.78 40.85 1k54 n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k54 h GLU 86 N 0.00 0.00 -0.68 -3.83 4.11 -1.99 -2.73 114.58 109.47 1k54 h GLU 86 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.25 1k54 h GLU 86 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1k54 h GLU 86 CO 0.24 0.05 0.00 0.72 0.07 0.00 0.00 179.01 180.08 1k54 n HIS 87 N -3.43 0.90 -1.76 2.06 8.25 -1.26 -4.50 115.22 115.49 1k54 n HIS 87 Ca -0.02 -0.45 -0.41 0.00 -0.26 0.00 0.00 57.72 56.58 1k54 n HIS 87 Cb 0.18 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 1k54 n HIS 87 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1k54 n GLN 88 N 1.61 2.74 -4.14 -0.41 7.27 -1.03 -4.95 117.38 118.46 1k54 n GLN 88 Ca 0.24 0.97 -0.34 0.00 0.07 0.00 0.00 57.00 57.93 1k54 n GLN 88 Cb 0.61 -2.75 -0.11 0.00 2.41 0.00 0.00 30.24 30.40 1k54 n GLN 88 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1k54 s VAL 89 N -0.27 4.40 -0.56 1.69 1.01 -1.26 -3.66 120.40 121.75 1k54 s VAL 89 Ca 0.61 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 1k54 s VAL 89 Cb -0.48 -2.97 0.09 0.00 0.00 0.00 0.00 36.38 33.02 1k54 s VAL 89 CO 0.52 0.47 0.65 -0.36 0.00 0.00 0.00 175.10 176.38 1k54 s PHE 90 N 0.45 3.05 0.20 5.22 0.40 0.11 -4.95 117.98 122.46 1k54 s PHE 90 Ca 0.00 -0.88 -0.27 0.00 -0.60 0.00 0.00 56.93 55.18 1k54 s PHE 90 Cb -0.13 -3.82 -0.08 0.00 0.51 0.00 0.00 43.02 39.49 1k54 s PHE 90 CO 0.01 -1.17 0.85 0.15 0.70 0.00 0.00 175.22 175.76 1k54 s LYS 91 N 2.52 4.70 -0.07 0.44 1.02 -1.26 -1.33 119.74 125.76 1k54 s LYS 91 Ca 0.11 1.30 -0.30 0.00 0.02 0.00 0.00 55.97 57.11 1k54 s LYS 91 Cb -0.23 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 1k54 s LYS 91 CO 0.07 0.55 1.15 -0.46 -0.92 0.00 0.00 175.35 175.75 1k54 s TRP 92 N -1.16 3.27 -0.00 3.18 -0.00 -1.26 -4.97 118.94 117.98 1k54 s TRP 92 Ca 0.38 1.30 -0.22 0.00 -0.00 0.00 0.00 56.10 57.56 1k54 s TRP 92 Cb -0.24 -3.37 -0.20 0.00 -0.00 0.00 0.00 33.47 29.66 1k54 s TRP 92 CO 0.29 -1.06 1.17 0.38 -0.00 0.00 0.00 176.95 177.73 1k54 h ASP 93 N 7.37 0.34 0.00 5.86 3.04 -1.95 -3.49 116.42 127.59 1k54 h ASP 93 Ca -0.33 -0.65 0.00 0.00 -3.24 0.00 0.00 57.03 52.80 1k54 h ASP 93 Cb 1.16 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.35 1k54 h ASP 93 CO 0.88 0.94 0.00 0.00 -2.04 0.00 0.00 179.24 179.02 1k54 n ALA 98 N -2.50 1.87 -3.33 4.15 0.00 -1.26 -5.24 120.51 114.21 1k54 n ALA 98 Ca -0.08 -0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.06 1k54 n ALA 98 Cb 0.48 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.63 1k54 n ALA 98 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1k54 s MET 99 N -2.00 1.69 0.16 0.00 -1.94 -1.26 -5.04 119.30 110.91 1k54 s MET 99 Ca 0.12 -0.45 -0.13 0.00 -1.71 0.00 0.00 55.69 53.53 1k54 s MET 99 Cb 0.06 -1.41 0.05 0.00 2.01 0.00 0.00 34.83 35.53 1k54 s MET 99 CO 0.10 0.07 1.69 1.57 -0.01 0.00 0.00 175.02 178.44 1k54 h LYS 100 N 6.80 0.83 -0.51 2.03 -0.00 -2.00 -2.82 116.57 120.91 1k54 h LYS 100 Ca -0.31 -0.18 0.15 0.00 -0.00 0.00 0.00 60.65 60.31 1k54 h LYS 100 Cb 1.19 -0.12 -0.02 0.00 -0.00 0.00 0.00 32.23 33.27 1k54 h LYS 100 CO 0.48 0.76 0.38 -0.56 -0.00 0.00 0.00 179.45 180.50 1k54 h GLN 101 N 0.74 0.00 -0.08 0.07 -0.00 -1.96 -0.58 115.11 113.30 1k54 h GLN 101 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1k54 h GLN 101 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.75 1k54 h GLN 101 CO -0.01 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.73 1k54 n TRP 102 N -4.31 0.10 -1.17 0.06 8.01 -1.06 -3.54 117.44 115.52 1k54 n TRP 102 Ca 0.09 -0.05 0.06 0.00 -1.31 0.00 0.00 57.50 56.29 1k54 n TRP 102 Cb 0.59 0.00 0.20 0.00 -2.01 0.00 0.00 31.31 30.10 1k54 n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k54 n GLU 103 N -0.32 2.03 -4.33 -0.99 1.02 -0.23 -4.95 120.64 112.87 1k54 n GLU 103 Ca 0.07 -2.87 -0.20 0.00 -0.02 0.00 0.00 57.16 54.14 1k54 n GLU 103 Cb 0.10 -1.70 -0.11 0.00 -0.02 0.00 0.00 31.44 29.71 1k54 n GLU 103 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1k54 s ARG 104 N -2.97 1.28 0.29 3.49 1.70 -1.23 -4.90 118.95 116.61 1k54 s ARG 104 Ca 0.39 -1.48 -0.29 0.00 -0.47 0.00 0.00 55.73 53.88 1k54 s ARG 104 Cb 0.34 -1.19 -0.09 0.00 -0.57 0.00 0.00 34.95 33.43 1k54 s ARG 104 CO 0.03 0.22 1.05 -0.51 -1.08 0.00 0.00 175.30 175.01 1k54 s ASP 105 N -2.97 7.28 0.05 -2.89 -0.00 -1.26 -4.27 116.67 112.60 1k54 s ASP 105 Ca 0.18 2.14 0.03 0.00 -0.00 0.00 0.00 52.55 54.90 1k54 s ASP 105 Cb -0.03 -2.61 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 1k54 s ASP 105 CO 0.06 -0.12 -0.09 -0.76 -0.00 0.00 0.00 175.17 174.26 1k54 s LEU 106 N -1.60 2.25 0.81 1.23 1.43 -0.44 -4.97 118.68 117.39 1k54 s LEU 106 Ca 0.46 -0.55 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1k54 s LEU 106 Cb -0.28 -0.24 0.14 0.00 0.03 0.00 0.00 46.19 45.84 1k54 s LEU 106 CO 0.36 -0.17 1.13 0.42 0.23 0.00 0.00 176.35 178.32 1k54 s THR 107 N -1.32 2.11 0.16 5.49 -4.23 -1.26 0.07 115.64 116.66 1k54 s THR 107 Ca -0.08 -0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 59.99 1k54 s THR 107 Cb -0.10 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.96 1k54 s THR 107 CO 0.01 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.15 1k54 h LEU 108 N -0.99 0.55 -0.36 4.79 5.85 -1.79 0.18 115.31 123.55 1k54 h LEU 108 Ca -0.41 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1k54 h LEU 108 Cb 1.26 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1k54 h LEU 108 CO 0.44 0.42 0.23 -0.09 -0.34 0.00 0.00 178.44 179.10 1k54 h ARG 109 N 0.64 0.46 -0.62 1.25 2.43 -1.89 -1.92 114.38 114.74 1k54 h ARG 109 Ca 0.17 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1k54 h ARG 109 Cb -0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1k54 h ARG 109 CO -0.04 0.31 0.39 0.78 -1.51 0.00 0.00 179.97 179.90 1k54 h GLY 110 N 0.48 0.88 1.63 2.80 0.00 -1.82 -0.88 103.07 106.16 1k54 h GLY 110 Ca 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1k54 h GLY 110 CO -0.03 0.27 0.10 0.00 0.00 0.00 0.00 176.54 176.87 1k54 h ALA 111 N 1.25 1.55 -0.07 3.60 0.00 -0.62 -0.34 119.26 124.63 1k54 h ALA 111 Ca 0.24 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1k54 h ALA 111 Cb -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1k54 h ALA 111 CO -0.09 0.34 -0.50 0.82 0.00 0.00 0.00 179.25 179.83 1k54 h ILE 112 N 0.47 1.39 0.00 0.00 2.04 -0.84 -3.36 117.51 117.22 1k54 h ILE 112 Ca 0.11 -1.88 0.00 0.00 1.00 0.00 0.00 64.86 64.10 1k54 h ILE 112 Cb 0.16 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 1k54 h ILE 112 CO -0.01 0.56 -0.46 1.56 0.00 0.00 0.00 178.15 179.80 1k54 h GLN 113 N 0.02 0.00 -5.84 2.37 4.20 -0.85 -3.46 115.11 111.54 1k54 h GLN 113 Ca -0.04 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.05 1k54 h GLN 113 Cb 1.16 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 28.81 1k54 h GLN 113 CO 0.10 0.00 -0.64 0.14 -0.67 0.00 0.00 178.83 177.76 1k54 s VAL 114 N -3.22 2.19 0.06 -0.54 -7.23 -0.17 -5.08 120.40 106.41 1k54 s VAL 114 Ca 0.05 -2.09 -0.31 0.00 -1.81 0.00 0.00 61.98 57.82 1k54 s VAL 114 Cb 0.10 -2.80 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 1k54 s VAL 114 CO 0.71 -0.12 1.64 -0.55 -0.31 0.00 0.00 175.10 176.46 1k54 s SER 115 N -3.67 6.62 -0.42 4.85 0.15 -1.26 -4.73 113.70 115.24 1k54 s SER 115 Ca 0.34 2.46 0.09 0.00 0.70 0.00 0.00 55.95 59.54 1k54 s SER 115 Cb 0.05 -2.56 0.34 0.00 -1.71 0.00 0.00 66.02 62.14 1k54 s SER 115 CO 0.17 -0.88 1.00 0.00 1.20 0.00 0.00 173.24 174.73 1k54 n ALA 116 N 5.62 0.49 0.01 5.45 0.00 -1.26 -4.43 120.51 126.39 1k54 n ALA 116 Ca 0.16 -2.18 -0.10 0.00 0.00 0.00 0.00 53.44 51.32 1k54 n ALA 116 Cb 0.41 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 1k54 n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k54 h VAL 117 N 2.25 0.57 -0.60 0.00 2.07 -1.93 -2.43 116.25 116.17 1k54 h VAL 117 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1k54 h VAL 117 Cb 1.07 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1k54 h VAL 117 CO 0.26 0.00 0.40 -0.65 0.02 0.00 0.00 177.57 177.60 1k54 h PRO 118 N -0.22 0.62 0.37 1.57 0.11 -1.95 -1.33 132.00 131.17 1k54 h PRO 118 Ca 0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1k54 h PRO 118 Cb 0.35 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1k54 h PRO 118 CO -0.24 0.41 -0.22 0.28 -0.21 0.00 0.00 178.00 178.03 1k54 h VAL 119 N 0.64 0.55 0.00 3.15 2.07 -1.86 -0.87 116.25 119.93 1k54 h VAL 119 Ca 0.25 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.69 1k54 h VAL 119 Cb 0.19 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1k54 h VAL 119 CO -0.07 0.00 -0.38 -0.26 0.02 0.00 0.00 177.57 176.88 1k54 h PHE 120 N -0.56 0.00 -0.47 1.57 -1.00 -1.47 -1.09 116.94 113.92 1k54 h PHE 120 Ca -0.04 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 1k54 h PHE 120 Cb 0.45 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.99 1k54 h PHE 120 CO -0.08 0.38 0.18 1.96 -1.61 0.00 0.00 178.31 179.14 1k54 h GLN 121 N 0.00 0.71 -0.42 1.51 4.20 -1.10 -1.08 115.11 118.93 1k54 h GLN 121 Ca -0.00 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.44 1k54 h GLN 121 Cb 1.09 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1k54 h GLN 121 CO 0.05 0.64 -0.26 0.37 -0.67 0.00 0.00 178.83 178.97 1k54 h GLN 122 N 0.62 0.89 -0.27 1.46 5.75 -0.90 -2.07 115.11 120.60 1k54 h GLN 122 Ca 0.15 -0.39 0.01 0.00 -0.15 0.00 0.00 58.65 58.27 1k54 h GLN 122 Cb 0.21 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 1k54 h GLN 122 CO -0.01 1.04 0.17 0.82 -2.65 0.00 0.00 178.83 178.20 1k54 h ILE 123 N 0.76 1.05 -0.76 2.39 2.04 -1.06 -1.90 117.51 120.03 1k54 h ILE 123 Ca 0.09 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 1k54 h ILE 123 Cb 0.82 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1k54 h ILE 123 CO 0.07 0.06 0.46 0.00 0.00 0.00 0.00 178.15 178.75 1k54 h ALA 124 N 1.11 0.96 -0.67 1.87 0.00 -1.05 -0.92 119.26 120.56 1k54 h ALA 124 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1k54 h ALA 124 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1k54 h ALA 124 CO -0.03 0.43 0.33 0.00 0.00 0.00 0.00 179.25 179.97 1k54 h ARG 125 N 1.03 0.97 -0.31 0.00 3.08 -1.17 -1.27 114.38 116.72 1k54 h ARG 125 Ca 0.27 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 60.05 1k54 h ARG 125 Cb -0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1k54 h ARG 125 CO -0.05 0.76 -0.37 0.93 -1.07 0.00 0.00 179.97 180.17 1k54 h GLU 126 N 0.93 0.71 0.02 0.04 5.08 -0.99 -2.98 114.58 117.39 1k54 h GLU 126 Ca 0.23 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1k54 h GLU 126 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1k54 h GLU 126 CO -0.03 0.96 -0.01 0.28 -1.00 0.00 0.00 179.01 179.21 1k54 h VAL 127 N 0.59 1.00 0.00 3.13 2.07 -1.00 -3.50 116.25 118.55 1k54 h VAL 127 Ca 0.06 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1k54 h VAL 127 Cb 0.90 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1k54 h VAL 127 CO 0.08 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1k54 n GLY 128 N -1.00 -0.75 0.33 2.17 0.00 -0.49 -4.38 105.19 101.07 1k54 n GLY 128 Ca -0.07 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 1k54 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k54 h GLU 129 N 0.00 1.16 0.06 1.61 4.81 -1.89 -0.99 114.58 119.34 1k54 h GLU 129 Ca 0.00 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1k54 h GLU 129 Cb 0.00 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.17 1k54 h GLU 129 CO 0.00 0.89 -0.03 0.28 -0.73 0.00 0.00 179.01 179.42 1k54 h VAL 130 N 1.15 1.04 -0.54 0.32 2.07 -1.99 0.05 116.25 118.35 1k54 h VAL 130 Ca 0.28 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.34 1k54 h VAL 130 Cb 0.10 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1k54 h VAL 130 CO -0.04 0.09 -0.07 0.03 0.02 0.00 0.00 177.57 177.60 1k54 h ARG 131 N -0.24 0.99 -0.29 1.57 3.08 -1.75 -1.69 114.38 116.05 1k54 h ARG 131 Ca -0.01 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 1k54 h ARG 131 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1k54 h ARG 131 CO 0.01 1.01 0.17 1.98 -1.07 0.00 0.00 179.97 182.08 1k54 h MET 132 N 0.89 0.39 -0.69 0.04 4.05 -1.05 -1.67 114.93 116.87 1k54 h MET 132 Ca 0.15 -0.03 0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1k54 h MET 132 Cb 0.62 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 1k54 h MET 132 CO 0.04 0.29 0.44 0.37 0.23 0.00 0.00 176.91 178.28 1k54 h GLN 133 N 0.37 0.85 -0.11 0.39 5.75 -0.84 -1.59 115.11 119.93 1k54 h GLN 133 Ca 0.10 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 1k54 h GLN 133 Cb 0.00 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 1k54 h GLN 133 CO -0.02 0.56 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.48 1k54 h LYS 134 N 0.87 0.00 -0.33 1.69 3.64 -0.97 -2.07 116.57 119.41 1k54 h LYS 134 Ca 0.27 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 1k54 h LYS 134 Cb -0.02 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1k54 h LYS 134 CO -0.09 0.00 -0.28 1.88 -2.27 0.00 0.00 179.45 178.69 1k54 h TYR 135 N 0.00 0.77 0.00 1.91 -1.99 -1.08 -2.10 116.97 114.48 1k54 h TYR 135 Ca 0.05 -0.19 -0.06 0.00 2.00 0.00 0.00 58.73 60.54 1k54 h TYR 135 Cb 0.08 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 1k54 h TYR 135 CO -0.15 0.88 -0.27 -0.07 -0.00 0.00 0.00 178.16 178.55 1k54 h LEU 136 N 0.58 0.00 -0.10 3.88 3.38 -1.13 0.11 115.31 122.02 1k54 h LEU 136 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1k54 h LEU 136 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1k54 h LEU 136 CO 0.06 0.27 -0.04 0.50 0.09 0.00 0.00 178.44 179.32 1k54 h LYS 137 N 0.00 0.20 -0.85 1.13 3.64 -1.05 -1.44 116.57 118.20 1k54 h LYS 137 Ca -0.00 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1k54 h LYS 137 Cb 0.56 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 1k54 h LYS 137 CO 0.04 0.55 0.56 0.87 -2.27 0.00 0.00 179.45 179.20 1k54 h LYS 138 N -0.15 1.07 -0.00 1.90 1.57 -0.87 -2.17 116.57 117.92 1k54 h LYS 138 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k54 h LYS 138 Cb 0.49 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1k54 h LYS 138 CO 0.01 0.71 -0.08 1.19 -0.57 0.00 0.00 179.45 180.71 1k54 n PHE 139 N -4.43 0.00 -3.90 -1.35 0.99 0.32 -4.74 117.46 104.35 1k54 n PHE 139 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.30 1k54 n PHE 139 Cb 0.07 -0.24 -0.01 0.00 -1.00 0.00 0.00 39.48 38.30 1k54 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k54 n SER 140 N -1.14 -0.89 -4.41 4.37 7.64 -0.63 -4.87 113.62 113.69 1k54 n SER 140 Ca 0.13 -0.99 -0.44 0.00 1.01 0.00 0.00 58.87 58.58 1k54 n SER 140 Cb 0.27 -3.18 -0.04 0.00 -1.01 0.00 0.00 64.21 60.25 1k54 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k54 s TYR 141 N -3.88 3.01 0.00 1.43 5.04 -0.66 -4.97 117.35 117.32 1k54 s TYR 141 Ca 0.05 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.63 1k54 s TYR 141 Cb -0.02 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.16 1k54 s TYR 141 CO 0.88 -1.41 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 1k54 n GLY 142 N 5.23 2.34 0.00 8.97 0.00 -1.26 -2.18 105.19 118.29 1k54 n GLY 142 Ca 0.02 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.77 1k54 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k54 n ASN 143 N -0.33 0.00 -2.15 1.61 0.23 0.05 -4.89 115.26 109.78 1k54 n ASN 143 Ca 0.00 -0.66 -0.15 0.00 -0.53 0.00 0.00 54.58 53.25 1k54 n ASN 143 Cb 0.00 -0.09 -0.02 0.00 -2.08 0.00 0.00 39.78 37.59 1k54 n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k54 n GLN 144 N -1.09 -1.86 -3.41 -3.83 6.02 -0.93 -4.92 117.38 107.37 1k54 n GLN 144 Ca 0.19 0.76 -0.44 0.00 -0.01 0.00 0.00 57.00 57.49 1k54 n GLN 144 Cb 0.13 -5.28 -0.08 0.00 1.02 0.00 0.00 30.24 26.04 1k54 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k54 s ASN 145 N -2.09 6.11 -0.18 1.08 3.84 -1.26 -4.93 114.94 117.51 1k54 s ASN 145 Ca 0.00 -1.30 0.16 0.00 0.21 0.00 0.00 52.86 51.93 1k54 s ASN 145 Cb 0.00 -2.17 0.64 0.00 -0.55 0.00 0.00 41.25 39.17 1k54 s ASN 145 CO 0.00 -0.62 1.55 2.30 -2.79 0.00 0.00 177.10 177.54 1k54 n ILE 146 N 5.18 2.32 -1.58 -5.21 -5.35 -1.26 -1.55 119.36 111.91 1k54 n ILE 146 Ca -0.12 -1.58 -0.33 0.00 -0.27 0.00 0.00 62.75 60.46 1k54 n ILE 146 Cb 0.44 -0.17 0.07 0.00 -1.74 0.00 0.00 39.64 38.24 1k54 n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k54 s SER 147 N -1.35 4.82 0.00 7.28 1.04 -1.26 -4.31 113.70 119.93 1k54 s SER 147 Ca 0.46 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.89 1k54 s SER 147 Cb 0.35 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1k54 s SER 147 CO 0.14 -1.82 0.00 0.61 0.98 0.00 0.00 173.24 173.14 1k54 n GLY 148 N -0.59 1.02 0.00 7.32 0.00 -1.26 -1.91 105.19 109.77 1k54 n GLY 148 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1k54 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k54 n GLY 149 N -0.11 3.21 0.30 -0.02 0.00 -1.26 -4.52 105.19 102.78 1k54 n GLY 149 Ca 0.00 -1.30 0.16 0.00 0.00 0.00 0.00 46.02 44.88 1k54 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k54 h ILE 150 N 0.00 0.46 -0.51 -0.61 6.09 -1.95 -1.64 117.51 119.35 1k54 h ILE 150 Ca 0.00 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1k54 h ILE 150 Cb 0.00 1.00 0.00 0.00 0.47 0.00 0.00 36.82 38.29 1k54 h ILE 150 CO 0.00 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.18 1k54 n ASP 151 N -3.75 4.37 -0.05 2.19 5.68 -1.26 -4.53 116.55 119.20 1k54 n ASP 151 Ca -0.03 -2.53 0.00 0.00 -0.50 0.00 0.00 54.79 51.73 1k54 n ASP 151 Cb 0.08 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.54 1k54 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k54 n LYS 152 N 0.65 0.00 0.25 0.11 2.85 -0.82 -4.76 118.16 116.43 1k54 n LYS 152 Ca 0.23 -0.10 0.09 0.00 -1.05 0.00 0.00 58.31 57.47 1k54 n LYS 152 Cb 0.84 -0.09 0.64 0.00 -0.65 0.00 0.00 35.03 35.77 1k54 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k54 h PHE 153 N 0.00 0.00 0.00 5.58 -0.00 -1.56 0.14 116.94 121.11 1k54 h PHE 153 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1k54 h PHE 153 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 1k54 h PHE 153 CO -0.02 0.08 -0.07 -2.67 -0.00 0.00 0.00 178.31 175.63 1k54 n TRP 154 N -4.26 0.24 -0.03 6.09 2.14 -1.26 -2.34 117.44 118.02 1k54 n TRP 154 Ca -0.03 0.07 -0.05 0.00 2.07 0.00 0.00 57.50 59.56 1k54 n TRP 154 Cb 0.16 -0.59 -0.03 0.00 -0.81 0.00 0.00 31.31 30.04 1k54 n TRP 154 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1k54 n LEU 155 N -1.71 2.06 0.00 5.67 7.94 -0.57 -1.25 117.00 129.15 1k54 n LEU 155 Ca 0.06 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1k54 n LEU 155 Cb 0.36 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1k54 n LEU 155 CO 0.29 0.43 0.12 -0.62 -1.11 0.00 0.00 177.39 176.50 1k54 n GLU 156 N -2.91 2.56 0.00 1.96 1.02 0.39 -4.92 120.64 118.75 1k54 n GLU 156 Ca -0.12 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 1k54 n GLU 156 Cb 0.61 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 1k54 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k54 n GLY 157 N 0.43 1.42 0.96 0.62 0.00 -0.99 -4.97 105.19 102.66 1k54 n GLY 157 Ca 0.00 -1.72 0.12 0.00 0.00 0.00 0.00 46.02 44.42 1k54 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k54 n GLN 158 N 0.00 2.32 -2.35 1.61 1.13 -0.80 -4.94 117.38 114.34 1k54 n GLN 158 Ca 0.00 -1.92 -0.41 0.00 -1.94 0.00 0.00 57.00 52.72 1k54 n GLN 158 Cb 0.00 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 1k54 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k54 s LEU 159 N -1.93 4.44 -0.01 1.08 2.96 -0.60 -4.66 118.68 119.95 1k54 s LEU 159 Ca 0.30 2.24 -0.02 0.00 -0.22 0.00 0.00 54.13 56.43 1k54 s LEU 159 Cb 0.20 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1k54 s LEU 159 CO 0.30 -0.40 0.05 -0.13 -1.32 0.00 0.00 176.35 174.85 1k54 s ARG 160 N -0.12 0.15 -0.04 1.98 1.81 -1.26 -3.98 118.95 117.48 1k54 s ARG 160 Ca 0.54 -0.07 -0.06 0.00 -1.72 0.00 0.00 55.73 54.41 1k54 s ARG 160 Cb -0.33 0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.24 1k54 s ARG 160 CO 0.36 -0.02 0.16 -1.50 -0.68 0.00 0.00 175.30 173.62 1k54 s ILE 161 N -0.34 0.03 0.49 1.52 2.07 -0.08 -0.77 121.20 124.11 1k54 s ILE 161 Ca -0.04 -0.22 -0.02 0.00 -1.41 0.00 0.00 60.65 58.97 1k54 s ILE 161 Cb -0.03 -0.31 -0.00 0.00 0.13 0.00 0.00 42.46 42.26 1k54 s ILE 161 CO 0.00 -0.12 0.74 -0.94 -1.91 0.00 0.00 174.94 172.71 1k54 s SER 162 N -0.37 5.78 0.22 4.50 1.04 -1.26 -1.08 113.70 122.53 1k54 s SER 162 Ca -0.05 0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.73 1k54 s SER 162 Cb -0.03 -1.60 0.17 0.00 0.10 0.00 0.00 66.02 64.65 1k54 s SER 162 CO 0.01 -0.80 1.82 0.00 0.98 0.00 0.00 173.24 175.25 1k54 h ALA 163 N 0.23 1.05 -0.52 5.32 0.00 -1.70 -0.33 119.26 123.31 1k54 h ALA 163 Ca -0.46 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.31 1k54 h ALA 163 Cb 1.25 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1k54 h ALA 163 CO 0.58 0.60 0.34 0.28 0.00 0.00 0.00 179.25 181.06 1k54 h VAL 164 N 1.15 1.13 -0.47 0.00 2.07 -1.82 -1.71 116.25 116.59 1k54 h VAL 164 Ca 0.28 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1k54 h VAL 164 Cb 0.09 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1k54 h VAL 164 CO -0.04 0.13 -0.04 -1.13 0.02 0.00 0.00 177.57 176.51 1k54 h ASN 165 N 0.70 0.79 -0.46 0.57 -0.73 -1.72 -1.54 115.58 113.19 1k54 h ASN 165 Ca 0.19 -0.21 0.01 0.00 1.87 0.00 0.00 56.30 58.17 1k54 h ASN 165 Cb -0.07 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.28 1k54 h ASN 165 CO -0.05 0.88 0.29 1.56 -0.37 0.00 0.00 177.43 179.75 1k54 h GLN 166 N 0.75 0.58 -0.78 6.67 1.08 -0.74 -0.22 115.11 122.45 1k54 h GLN 166 Ca 0.14 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1k54 h GLN 166 Cb 0.51 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 1k54 h GLN 166 CO 0.03 0.38 0.40 0.28 -0.95 0.00 0.00 178.83 178.97 1k54 h VAL 167 N 0.60 1.24 -0.48 -0.54 2.07 -0.84 0.07 116.25 118.37 1k54 h VAL 167 Ca 0.18 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1k54 h VAL 167 Cb -0.03 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1k54 h VAL 167 CO -0.06 0.28 0.16 -0.33 0.02 0.00 0.00 177.57 177.64 1k54 h GLU 168 N 1.09 0.74 -0.37 1.57 5.08 -0.92 -0.42 114.58 121.35 1k54 h GLU 168 Ca 0.27 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1k54 h GLU 168 Cb 0.08 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1k54 h GLU 168 CO -0.04 0.69 0.18 0.35 -1.00 0.00 0.00 179.01 179.20 1k54 h PHE 169 N 0.64 0.53 -0.42 4.33 3.04 -0.76 -1.95 116.94 122.36 1k54 h PHE 169 Ca 0.16 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 1k54 h PHE 169 Cb 0.26 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1k54 h PHE 169 CO 0.01 0.44 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.56 1k54 h LEU 170 N 0.46 0.74 -0.29 0.59 3.38 -0.81 -1.87 115.31 117.51 1k54 h LEU 170 Ca 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1k54 h LEU 170 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1k54 h LEU 170 CO -0.02 0.88 0.16 -0.08 0.09 0.00 0.00 178.44 179.47 1k54 h GLU 171 N 0.68 0.41 -0.60 1.13 4.81 -0.94 0.26 114.58 120.33 1k54 h GLU 171 Ca 0.12 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1k54 h GLU 171 Cb 0.59 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1k54 h GLU 171 CO 0.04 0.35 0.29 0.77 -0.73 0.00 0.00 179.01 179.73 1k54 h SER 172 N 0.35 0.40 -0.40 1.04 0.02 -1.07 -1.32 113.55 112.57 1k54 h SER 172 Ca 0.10 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1k54 h SER 172 Cb 0.06 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1k54 h SER 172 CO -0.02 0.26 0.23 0.25 -1.14 0.00 0.00 176.83 176.41 1k54 h LEU 173 N 0.55 0.49 -0.70 5.07 5.85 -0.99 0.13 115.31 125.71 1k54 h LEU 173 Ca 0.28 -0.07 0.11 0.00 0.84 0.00 0.00 57.88 59.03 1k54 h LEU 173 Cb 0.22 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 1k54 h LEU 173 CO -0.21 0.42 0.31 0.22 -0.34 0.00 0.00 178.44 178.85 1k54 h TYR 174 N 0.52 0.55 -0.01 1.25 3.20 -0.46 -1.58 116.97 120.45 1k54 h TYR 174 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1k54 h TYR 174 Cb 0.03 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1k54 h TYR 174 CO -0.03 0.15 -0.07 1.28 -1.64 0.00 0.00 178.16 177.85 1k54 n LEU 175 N -4.94 0.66 -1.47 2.82 4.77 -0.54 -4.91 117.00 113.39 1k54 n LEU 175 Ca 0.12 -0.14 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 1k54 n LEU 175 Cb 0.32 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1k54 n LEU 175 CO 0.22 0.12 -0.17 0.59 -1.33 0.00 0.00 177.39 176.82 1k54 n ASN 176 N -0.66 -4.36 -0.68 -1.43 3.02 -0.28 -4.91 115.26 105.96 1k54 n ASN 176 Ca 0.18 0.06 0.13 0.00 -0.03 0.00 0.00 54.58 54.92 1k54 n ASN 176 Cb 0.26 -3.43 0.29 0.00 -0.61 0.00 0.00 39.78 36.29 1k54 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k54 n LYS 177 N -2.39 1.88 -1.39 3.52 5.02 0.30 -4.84 118.16 120.26 1k54 n LYS 177 Ca -0.16 -1.37 -0.32 0.00 -2.02 0.00 0.00 58.31 54.44 1k54 n LYS 177 Cb 0.59 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 34.21 1k54 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k54 s LEU 178 N -2.06 3.15 -1.31 -0.35 1.43 -1.24 -4.87 118.68 113.43 1k54 s LEU 178 Ca 0.31 1.94 -0.16 0.00 -1.03 0.00 0.00 54.13 55.19 1k54 s LEU 178 Cb 0.20 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.90 1k54 s LEU 178 CO 0.35 -2.00 2.06 -1.20 0.23 0.00 0.00 176.35 175.78 1k54 n SER 179 N -3.16 3.89 -3.54 2.29 7.64 -1.26 -4.77 113.62 114.70 1k54 n SER 179 Ca 0.10 -2.83 -0.10 0.00 1.01 0.00 0.00 58.87 57.05 1k54 n SER 179 Cb 0.52 -1.61 -0.02 0.00 -1.01 0.00 0.00 64.21 62.09 1k54 n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k54 s ALA 180 N 4.08 -1.53 0.60 -0.43 0.00 -1.26 -5.03 121.76 118.18 1k54 s ALA 180 Ca 0.51 0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 1k54 s ALA 180 Cb 0.11 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1k54 s ALA 180 CO -0.01 -0.84 1.28 -1.54 0.00 0.00 0.00 175.76 174.65 1k54 s SER 181 N -2.77 4.96 0.27 0.00 1.04 -1.26 -4.88 113.70 111.06 1k54 s SER 181 Ca 0.04 2.58 -0.04 0.00 0.48 0.00 0.00 55.95 59.01 1k54 s SER 181 Cb -0.02 -2.62 0.35 0.00 0.10 0.00 0.00 66.02 63.83 1k54 s SER 181 CO -0.07 -1.76 1.91 0.50 0.98 0.00 0.00 173.24 174.79 1k54 h LYS 182 N 0.89 1.12 -0.30 4.02 3.64 -1.93 -2.34 116.57 121.67 1k54 h LYS 182 Ca -0.51 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 58.82 1k54 h LYS 182 Cb 1.32 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1k54 h LYS 182 CO 0.55 0.80 -0.04 0.93 -2.27 0.00 0.00 179.45 179.42 1k54 h GLU 183 N 1.13 0.03 -0.37 1.90 5.08 -1.99 -0.21 114.58 120.17 1k54 h GLU 183 Ca 0.29 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.56 1k54 h GLU 183 Cb -0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1k54 h GLU 183 CO -0.05 0.02 -0.15 -0.91 -1.00 0.00 0.00 179.01 176.92 1k54 h ASN 184 N 0.04 0.66 -0.59 1.42 2.35 -1.86 -0.76 115.58 116.84 1k54 h ASN 184 Ca 0.14 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 1k54 h ASN 184 Cb 0.21 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1k54 h ASN 184 CO -0.28 0.83 0.11 1.56 -1.65 0.00 0.00 177.43 178.00 1k54 h GLN 185 N 0.60 0.96 -0.66 0.81 4.20 -0.98 -2.03 115.11 118.00 1k54 h GLN 185 Ca 0.10 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1k54 h GLN 185 Cb 0.60 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 1k54 h GLN 185 CO 0.04 0.90 0.24 -0.07 -0.67 0.00 0.00 178.83 179.27 1k54 h LEU 186 N 0.86 0.93 -0.25 1.46 3.38 -0.73 -0.43 115.31 120.54 1k54 h LEU 186 Ca 0.18 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1k54 h LEU 186 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1k54 h LEU 186 CO 0.01 0.87 0.12 0.40 0.09 0.00 0.00 178.44 179.93 1k54 h ILE 187 N 0.95 0.99 -0.28 1.22 2.04 -0.93 -1.77 117.51 119.73 1k54 h ILE 187 Ca 0.22 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.88 1k54 h ILE 187 Cb 0.24 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1k54 h ILE 187 CO -0.01 0.05 -0.28 0.58 0.00 0.00 0.00 178.15 178.48 1k54 h VAL 188 N 0.26 1.28 -0.33 1.67 2.07 -1.19 -2.80 116.25 117.21 1k54 h VAL 188 Ca 0.10 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1k54 h VAL 188 Cb 0.03 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1k54 h VAL 188 CO -0.07 0.43 0.17 0.11 0.02 0.00 0.00 177.57 178.23 1k54 h LYS 189 N 0.49 0.47 -0.39 1.57 1.57 -0.68 -2.33 116.57 117.27 1k54 h LYS 189 Ca 0.06 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1k54 h LYS 189 Cb 0.74 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1k54 h LYS 189 CO 0.06 0.41 0.16 1.49 -0.57 0.00 0.00 179.45 181.00 1k54 h GLU 190 N 0.40 0.54 0.00 3.15 4.81 -1.19 -0.75 114.58 121.55 1k54 h GLU 190 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1k54 h GLU 190 Cb 0.09 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1k54 h GLU 190 CO -0.02 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.71 1k54 h ALA 191 N 1.64 1.00 -0.02 2.92 0.00 -1.17 -2.63 119.26 121.01 1k54 h ALA 191 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1k54 h ALA 191 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1k54 h ALA 191 CO -0.02 0.00 -0.32 1.28 0.00 0.00 0.00 179.25 180.20 1k54 n LEU 192 N -2.92 1.85 -4.69 0.00 4.77 -0.29 -4.76 117.00 110.95 1k54 n LEU 192 Ca -0.01 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.91 1k54 n LEU 192 Cb 0.17 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1k54 n LEU 192 CO 0.22 0.33 1.36 -0.69 -1.33 0.00 0.00 177.39 177.28 1k54 s VAL 193 N -2.38 2.92 0.00 4.08 1.01 -0.99 -1.10 120.40 123.93 1k54 s VAL 193 Ca 0.23 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1k54 s VAL 193 Cb 0.19 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1k54 s VAL 193 CO 0.50 -0.00 0.00 0.35 0.00 0.00 0.00 175.10 175.95 1k54 n THR 194 N 4.73 0.00 -3.81 3.92 -2.24 0.00 -4.91 114.28 111.97 1k54 n THR 194 Ca 0.16 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1k54 n THR 194 Cb 0.40 0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 69.23 1k54 n THR 194 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1k54 s GLU 195 N -1.29 0.16 -0.06 -0.78 2.02 -1.19 -4.98 118.70 112.57 1k54 s GLU 195 Ca 0.00 0.24 -0.03 0.00 0.02 0.00 0.00 54.97 55.20 1k54 s GLU 195 Cb 0.00 0.04 0.04 0.00 0.10 0.00 0.00 34.13 34.31 1k54 s GLU 195 CO 0.00 -0.05 0.13 0.00 0.02 0.00 0.00 175.26 175.36 1k54 s ALA 196 N 0.28 -0.18 0.13 5.21 0.00 -1.26 -1.33 121.76 124.61 1k54 s ALA 196 Ca -0.02 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.49 1k54 s ALA 196 Cb -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1k54 s ALA 196 CO -0.01 -0.24 0.15 0.00 0.00 0.00 0.00 175.76 175.66 1k54 s ALA 197 N 1.42 0.36 0.27 0.00 0.00 0.58 -5.02 121.76 119.37 1k54 s ALA 197 Ca -0.06 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1k54 s ALA 197 Cb -0.12 0.75 0.59 0.00 0.00 0.00 0.00 23.12 24.34 1k54 s ALA 197 CO -0.05 -0.54 1.69 -1.35 0.00 0.00 0.00 175.76 175.51 1k54 h PRO 198 N 2.76 0.32 -0.06 0.00 0.11 -2.01 -2.77 132.00 130.35 1k54 h PRO 198 Ca -0.34 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1k54 h PRO 198 Cb 1.20 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1k54 h PRO 198 CO 0.55 0.21 -0.59 0.39 -0.21 0.00 0.00 178.00 178.35 1k54 n GLU 199 N -5.11 1.56 -3.63 1.05 1.02 -1.26 -4.96 120.64 109.31 1k54 n GLU 199 Ca 0.18 -3.22 -0.07 0.00 -0.02 0.00 0.00 57.16 54.03 1k54 n GLU 199 Cb 0.55 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 1k54 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k54 s TYR 200 N -2.90 -0.93 -0.02 -0.32 6.14 -1.04 -1.09 117.35 117.19 1k54 s TYR 200 Ca 0.38 1.65 0.01 0.00 0.64 0.00 0.00 57.07 59.76 1k54 s TYR 200 Cb 0.37 0.40 0.02 0.00 0.42 0.00 0.00 41.96 43.17 1k54 s TYR 200 CO -0.07 -0.54 -0.01 -1.17 0.64 0.00 0.00 175.55 174.39 1k54 s LEU 201 N 2.67 1.42 -0.09 6.97 2.96 -0.07 -0.31 118.68 132.24 1k54 s LEU 201 Ca -0.01 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1k54 s LEU 201 Cb -0.12 -0.22 -0.00 0.00 0.50 0.00 0.00 46.19 46.34 1k54 s LEU 201 CO -0.14 -0.06 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.90 1k54 s VAL 202 N 0.69 2.02 -0.16 1.68 1.01 -0.44 -0.58 120.40 124.62 1k54 s VAL 202 Ca -0.07 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1k54 s VAL 202 Cb -0.10 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1k54 s VAL 202 CO -0.01 0.55 -0.07 -1.00 0.00 0.00 0.00 175.10 174.57 1k54 s HIS 203 N 0.20 2.93 0.21 5.22 3.76 -0.54 -0.82 115.29 126.24 1k54 s HIS 203 Ca -0.14 -0.57 -0.18 0.00 -0.15 0.00 0.00 55.06 54.02 1k54 s HIS 203 Cb -0.17 -1.95 0.03 0.00 1.11 0.00 0.00 32.58 31.61 1k54 s HIS 203 CO 0.07 -0.22 0.55 -1.54 -0.85 0.00 0.00 174.74 172.76 1k54 s SER 204 N 0.61 -0.27 -0.18 1.40 1.04 -0.26 -0.81 113.70 115.22 1k54 s SER 204 Ca -0.05 -0.49 -0.11 0.00 0.48 0.00 0.00 55.95 55.78 1k54 s SER 204 Cb -0.15 0.60 0.06 0.00 0.10 0.00 0.00 66.02 66.63 1k54 s SER 204 CO 0.03 -1.09 0.45 -0.75 0.98 0.00 0.00 173.24 172.85 1k54 s LYS 205 N -3.88 0.45 0.44 4.02 2.47 0.29 -4.81 119.74 118.72 1k54 s LYS 205 Ca 0.10 0.80 0.02 0.00 -1.56 0.00 0.00 55.97 55.32 1k54 s LYS 205 Cb -0.02 0.05 -0.00 0.00 -1.46 0.00 0.00 37.83 36.40 1k54 s LYS 205 CO -0.01 -0.14 0.64 0.95 0.16 0.00 0.00 175.35 176.95 1k54 s THR 206 N 1.18 3.89 -0.00 3.43 -4.23 -1.26 -1.60 115.64 117.05 1k54 s THR 206 Ca -0.08 -0.61 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1k54 s THR 206 Cb -0.07 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.38 1k54 s THR 206 CO -0.11 -0.27 0.39 -0.83 -0.54 0.00 0.00 174.62 173.27 1k54 s GLY 207 N -4.23 -0.25 -0.29 3.99 0.00 -0.82 -3.59 107.32 102.13 1k54 s GLY 207 Ca 0.48 0.46 -0.11 0.00 0.00 0.00 0.00 44.72 45.56 1k54 s GLY 207 CO 0.37 0.22 0.65 -0.12 0.00 0.00 0.00 173.10 174.21 1k54 s PHE 208 N -1.65 -1.29 -0.74 1.90 5.36 -1.26 -0.32 117.98 119.97 1k54 s PHE 208 Ca -0.11 2.29 0.25 0.00 -0.96 0.00 0.00 56.93 58.40 1k54 s PHE 208 Cb -0.03 0.77 0.52 0.00 -0.34 0.00 0.00 43.02 43.94 1k54 s PHE 208 CO 0.03 -0.65 1.46 -1.13 -1.46 0.00 0.00 175.22 173.48 1k54 n SER 209 N 5.30 0.63 0.00 6.13 3.41 -0.14 -4.66 113.62 124.29 1k54 n SER 209 Ca -0.13 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1k54 n SER 209 Cb 0.50 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1k54 n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k54 n GLY 210 N 1.37 3.60 3.66 5.00 0.00 -1.26 -4.93 105.19 112.64 1k54 n GLY 210 Ca 0.04 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1k54 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k54 s VAL 211 N -2.67 4.36 0.00 1.61 1.01 -1.26 -3.91 120.40 119.53 1k54 s VAL 211 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1k54 s VAL 211 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1k54 s VAL 211 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1k54 n GLY 212 N 3.54 1.79 3.83 4.51 0.00 -0.92 -4.81 105.19 113.13 1k54 n GLY 212 Ca 0.13 -2.04 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 1k54 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k54 s THR 213 N 1.69 2.56 0.24 2.61 -4.23 -0.20 -4.44 115.64 113.87 1k54 s THR 213 Ca 0.00 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1k54 s THR 213 Cb 0.00 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 71.06 1k54 s THR 213 CO 0.00 -0.00 1.71 1.05 -0.54 0.00 0.00 174.62 176.83 1k54 h GLU 214 N 1.16 0.34 0.00 3.99 9.09 -1.94 -0.95 114.58 126.27 1k54 h GLU 214 Ca -0.42 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1k54 h GLU 214 Cb 1.26 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 1k54 h GLU 214 CO 0.61 0.22 -0.40 0.66 0.05 0.00 0.00 179.01 180.16 1k54 h SER 215 N 0.35 0.00 -2.17 3.06 4.64 -2.00 -3.39 113.55 114.04 1k54 h SER 215 Ca 0.42 -0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.16 1k54 h SER 215 Cb 0.68 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.38 1k54 h SER 215 CO -0.46 0.00 -1.02 0.59 -0.87 0.00 0.00 176.83 175.08 1k54 n ASN 216 N -2.92 0.24 -4.83 4.97 4.13 -0.63 -5.13 115.26 111.09 1k54 n ASN 216 Ca 0.02 -2.64 -0.31 0.00 1.68 0.00 0.00 54.58 53.33 1k54 n ASN 216 Cb 0.54 -0.61 0.03 0.00 -1.54 0.00 0.00 39.78 38.19 1k54 n ASN 216 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1k54 s PRO 217 N -0.83 3.20 0.50 3.52 0.04 -0.46 -1.04 135.00 139.93 1k54 s PRO 217 Ca 0.34 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.29 1k54 s PRO 217 Cb 0.12 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.74 1k54 s PRO 217 CO -0.14 -0.89 0.68 0.41 0.04 0.00 0.00 177.00 177.10 1k54 n GLY 218 N -1.98 -0.09 3.19 0.56 0.00 -0.45 -4.77 105.19 101.65 1k54 n GLY 218 Ca 0.07 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.98 1k54 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k54 s VAL 219 N -2.16 1.40 0.00 1.61 0.11 -1.26 -0.95 120.40 119.15 1k54 s VAL 219 Ca 0.42 -1.03 0.05 0.00 -2.93 0.00 0.00 61.98 58.50 1k54 s VAL 219 Cb -0.02 -1.22 -0.02 0.00 -1.53 0.00 0.00 36.38 33.59 1k54 s VAL 219 CO 0.29 0.17 -0.17 0.00 -3.33 0.00 0.00 175.10 172.05 1k54 s ALA 220 N -0.74 1.43 0.13 1.54 0.00 -0.51 -0.97 121.76 122.64 1k54 s ALA 220 Ca 0.05 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1k54 s ALA 220 Cb -0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1k54 s ALA 220 CO 0.01 0.34 -0.16 -1.58 0.00 0.00 0.00 175.76 174.36 1k54 s TRP 221 N -0.51 1.59 -0.09 0.00 0.52 0.56 -1.30 118.94 119.72 1k54 s TRP 221 Ca 0.06 -0.50 -0.03 0.00 0.02 0.00 0.00 56.10 55.64 1k54 s TRP 221 Cb -0.07 -0.82 0.05 0.00 -1.15 0.00 0.00 33.47 31.47 1k54 s TRP 221 CO -0.00 0.22 0.16 -0.46 0.02 0.00 0.00 176.95 176.89 1k54 s TRP 222 N -1.95 -0.19 0.09 -1.98 -0.00 -0.48 -1.95 118.94 112.48 1k54 s TRP 222 Ca 0.11 0.63 0.04 0.00 -0.00 0.00 0.00 56.10 56.87 1k54 s TRP 222 Cb -0.06 -0.25 -0.04 0.00 -0.00 0.00 0.00 33.47 33.12 1k54 s TRP 222 CO 0.04 -0.27 -0.10 0.14 -0.00 0.00 0.00 176.95 176.76 1k54 s VAL 223 N 2.30 0.92 -4.48 5.86 -7.23 -0.63 -0.20 120.40 116.93 1k54 s VAL 223 Ca 0.03 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1k54 s VAL 223 Cb -0.12 -1.34 0.00 0.00 0.56 0.00 0.00 36.38 35.48 1k54 s VAL 223 CO -0.06 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.78 1k54 n GLY 224 N 0.57 -0.51 3.24 2.32 0.00 -0.57 -0.55 105.19 109.70 1k54 n GLY 224 Ca -0.16 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 1k54 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k54 s TRP 225 N -3.42 -0.12 -0.12 1.61 -2.14 0.01 -1.06 118.94 113.70 1k54 s TRP 225 Ca 0.00 0.04 0.03 0.00 2.66 0.00 0.00 56.10 58.83 1k54 s TRP 225 Cb 0.00 0.09 0.00 0.00 -3.10 0.00 0.00 33.47 30.46 1k54 s TRP 225 CO 0.00 -0.47 -0.23 0.08 -2.66 0.00 0.00 176.95 173.67 1k54 s VAL 226 N -2.20 2.05 -0.36 -0.66 1.01 0.60 -1.47 120.40 119.37 1k54 s VAL 226 Ca -0.07 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.80 1k54 s VAL 226 Cb -0.02 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1k54 s VAL 226 CO -0.01 0.55 0.19 -1.61 0.00 0.00 0.00 175.10 174.23 1k54 s GLU 227 N 0.56 2.99 -0.21 2.72 2.02 0.26 -0.50 118.70 126.54 1k54 s GLU 227 Ca -0.13 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 53.91 1k54 s GLU 227 Cb -0.17 -3.69 0.03 0.00 0.10 0.00 0.00 34.13 30.40 1k54 s GLU 227 CO 0.04 -0.61 -0.16 0.21 0.02 0.00 0.00 175.26 174.75 1k54 s LYS 228 N 1.58 2.75 6.10 1.61 2.20 -0.46 -0.89 119.74 132.63 1k54 s LYS 228 Ca 0.03 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 1k54 s LYS 228 Cb -0.18 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.44 1k54 s LYS 228 CO 0.07 -0.33 0.00 0.39 -0.36 0.00 0.00 175.35 175.12 1k54 n GLU 229 N 4.56 0.00 -0.49 4.03 1.02 -0.25 -0.72 120.64 128.79 1k54 n GLU 229 Ca -0.19 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.04 1k54 n GLU 229 Cb 0.47 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.19 1k54 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k54 n THR 230 N 0.00 1.75 -4.03 2.62 -2.24 -1.26 -4.93 114.28 106.19 1k54 n THR 230 Ca 0.00 -1.29 -0.22 0.00 -2.27 0.00 0.00 64.05 60.27 1k54 n THR 230 Cb 0.00 0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 1k54 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k54 s GLU 231 N -1.86 3.21 -0.01 -0.78 2.56 0.10 -5.12 118.70 116.79 1k54 s GLU 231 Ca 0.44 -0.86 0.03 0.00 0.00 0.00 0.00 54.97 54.57 1k54 s GLU 231 Cb 0.29 -2.76 -0.00 0.00 2.00 0.00 0.00 34.13 33.66 1k54 s GLU 231 CO 0.20 0.43 -0.09 0.54 -0.56 0.00 0.00 175.26 175.78 1k54 s VAL 232 N -2.00 0.73 -0.09 3.70 0.11 -1.26 -1.36 120.40 120.23 1k54 s VAL 232 Ca 0.33 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 1k54 s VAL 232 Cb -0.09 -0.63 0.02 0.00 -1.53 0.00 0.00 36.38 34.15 1k54 s VAL 232 CO 0.27 0.22 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.82 1k54 s TYR 233 N -0.08 1.66 -0.06 1.54 1.51 0.35 -0.21 117.35 122.04 1k54 s TYR 233 Ca 0.01 -0.73 -0.08 0.00 -1.01 0.00 0.00 57.07 55.27 1k54 s TYR 233 Cb -0.05 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 1k54 s TYR 233 CO -0.00 -0.40 0.22 -0.06 -1.11 0.00 0.00 175.55 174.19 1k54 s PHE 234 N 1.02 3.61 0.03 2.71 0.40 0.16 -0.29 117.98 125.62 1k54 s PHE 234 Ca -0.07 0.61 -0.07 0.00 -0.60 0.00 0.00 56.93 56.80 1k54 s PHE 234 Cb -0.15 -2.00 -0.00 0.00 0.51 0.00 0.00 43.02 41.38 1k54 s PHE 234 CO -0.01 0.69 0.13 -0.59 0.70 0.00 0.00 175.22 176.14 1k54 s PHE 235 N -1.12 0.12 -0.14 0.36 -0.12 -0.22 -0.79 117.98 116.07 1k54 s PHE 235 Ca 0.20 -0.35 -0.07 0.00 -0.05 0.00 0.00 56.93 56.66 1k54 s PHE 235 Cb -0.13 -0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.22 1k54 s PHE 235 CO 0.09 -0.36 0.32 0.00 -0.05 0.00 0.00 175.22 175.22 1k54 s ALA 236 N -2.27 -0.78 -0.02 1.99 0.00 -0.51 -1.52 121.76 118.65 1k54 s ALA 236 Ca -0.08 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.15 1k54 s ALA 236 Cb -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.24 1k54 s ALA 236 CO -0.03 -0.32 -0.18 0.12 0.00 0.00 0.00 175.76 175.35 1k54 s PHE 237 N 1.56 1.64 0.04 0.00 2.19 0.72 -0.83 117.98 123.29 1k54 s PHE 237 Ca -0.07 -0.36 -0.04 0.00 0.33 0.00 0.00 56.93 56.79 1k54 s PHE 237 Cb -0.10 -1.07 -0.02 0.00 -1.31 0.00 0.00 43.02 40.52 1k54 s PHE 237 CO -0.10 -0.07 0.05 0.54 1.83 0.00 0.00 175.22 177.47 1k54 s ASN 238 N -0.28 0.25 0.09 6.13 2.20 -0.40 -1.39 114.94 121.54 1k54 s ASN 238 Ca 0.04 -0.62 -0.13 0.00 -0.94 0.00 0.00 52.86 51.21 1k54 s ASN 238 Cb -0.08 0.20 0.02 0.00 -2.00 0.00 0.00 41.25 39.39 1k54 s ASN 238 CO 0.00 -0.49 0.30 0.00 -2.94 0.00 0.00 177.10 173.97 1k54 s MET 239 N -2.68 0.93 0.15 3.55 0.23 -0.42 -0.37 119.30 120.70 1k54 s MET 239 Ca -0.04 -0.77 -0.28 0.00 -1.03 0.00 0.00 55.69 53.56 1k54 s MET 239 Cb -0.01 0.40 -0.07 0.00 -1.53 0.00 0.00 34.83 33.62 1k54 s MET 239 CO -0.05 -0.33 0.89 -0.51 -2.03 0.00 0.00 175.02 172.99 1k54 s ASP 240 N -2.69 7.48 -0.12 -1.18 1.01 -0.09 -1.43 116.67 119.66 1k54 s ASP 240 Ca 0.02 1.76 0.01 0.00 0.71 0.00 0.00 52.55 55.05 1k54 s ASP 240 Cb 0.03 -2.56 0.02 0.00 1.01 0.00 0.00 42.92 41.41 1k54 s ASP 240 CO -0.10 0.07 -0.13 -0.51 0.21 0.00 0.00 175.17 174.70 1k54 s ILE 241 N -0.58 1.43 -0.03 0.77 2.07 -0.12 -4.66 121.20 120.08 1k54 s ILE 241 Ca 0.42 -0.57 0.04 0.00 -1.41 0.00 0.00 60.65 59.13 1k54 s ILE 241 Cb -0.24 -1.34 0.07 0.00 0.13 0.00 0.00 42.46 41.08 1k54 s ILE 241 CO 0.29 0.43 0.95 -0.90 -1.91 0.00 0.00 174.94 173.80 1k54 n ASP 242 N 4.52 0.71 -3.60 4.50 3.85 -1.26 -1.34 116.55 123.92 1k54 n ASP 242 Ca -0.17 -2.08 -0.08 0.00 -0.71 0.00 0.00 54.79 51.75 1k54 n ASP 242 Cb 0.51 -0.20 -0.09 0.00 -1.35 0.00 0.00 41.12 39.99 1k54 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k54 s ASN 243 N -1.27 -0.29 0.42 -1.12 3.04 -1.26 -4.67 114.94 109.80 1k54 s ASN 243 Ca 0.07 0.93 0.14 0.00 0.04 0.00 0.00 52.86 54.04 1k54 s ASN 243 Cb 0.07 1.41 1.02 0.00 -1.54 0.00 0.00 41.25 42.21 1k54 s ASN 243 CO 0.01 -0.24 1.94 1.05 -3.04 0.00 0.00 177.10 176.82 1k54 h GLU 244 N 8.16 0.43 0.00 0.43 9.09 -1.95 -1.33 114.58 129.41 1k54 h GLU 244 Ca -0.17 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.22 1k54 h GLU 244 Cb 1.12 -0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 1k54 h GLU 244 CO 0.14 0.28 0.00 -1.13 0.05 0.00 0.00 179.01 178.36 1k54 n SER 245 N -4.48 0.03 -0.24 3.06 3.41 -1.26 -2.64 113.62 111.50 1k54 n SER 245 Ca 0.12 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1k54 n SER 245 Cb 0.45 -0.51 0.30 0.00 -0.26 0.00 0.00 64.21 64.19 1k54 n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k54 n LYS 246 N -1.53 0.75 -0.31 4.33 4.76 -0.50 -4.46 118.16 121.20 1k54 n LYS 246 Ca 0.04 -0.47 0.07 0.00 -2.87 0.00 0.00 58.31 55.07 1k54 n LYS 246 Cb 0.18 -1.49 0.22 0.00 -1.84 0.00 0.00 35.03 32.11 1k54 n LYS 246 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1k54 h LEU 247 N 1.16 0.62 -1.79 -0.35 5.85 -1.64 -1.47 115.31 117.69 1k54 h LEU 247 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1k54 h LEU 247 Cb 0.53 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1k54 h LEU 247 CO 0.00 0.29 0.00 -0.65 -0.34 0.00 0.00 178.44 177.74 1k54 h PRO 248 N 0.71 0.00 0.00 5.25 0.11 -1.85 -2.10 132.00 134.11 1k54 h PRO 248 Ca 0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 1k54 h PRO 248 Cb 0.61 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.72 1k54 h PRO 248 CO -0.33 0.00 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.36 1k54 h LEU 249 N 0.00 0.00 -2.46 2.35 3.38 -1.59 -1.80 115.31 115.19 1k54 h LEU 249 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k54 h LEU 249 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1k54 h LEU 249 CO 0.00 0.03 -0.01 0.08 0.09 0.00 0.00 178.44 178.63 1k54 h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.57 -0.96 114.38 113.10 1k54 h ARG 250 Ca -0.00 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.80 1k54 h ARG 250 Cb 0.24 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.27 1k54 h ARG 250 CO 0.00 0.01 -2.04 1.63 0.10 0.00 0.00 179.97 179.67 1k54 n LYS 251 N -3.13 0.82 0.03 0.08 5.02 -0.73 -4.53 118.16 115.73 1k54 n LYS 251 Ca -0.02 0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 1k54 n LYS 251 Cb 0.15 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.80 1k54 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k54 h SER 252 N 0.00 0.59 0.32 4.39 4.64 -1.24 -1.96 113.55 120.29 1k54 h SER 252 Ca -0.41 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 60.51 1k54 h SER 252 Cb 1.72 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1k54 h SER 252 CO -0.04 1.14 -0.15 0.40 -0.87 0.00 0.00 176.83 177.31 1k54 h ILE 253 N 0.34 0.70 -0.97 0.95 2.04 -1.45 -1.00 117.51 118.12 1k54 h ILE 253 Ca -0.03 -0.45 0.08 0.00 1.00 0.00 0.00 64.86 65.45 1k54 h ILE 253 Cb 1.32 0.93 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 1k54 h ILE 253 CO 0.13 0.09 0.63 -0.65 0.00 0.00 0.00 178.15 178.35 1k54 h PRO 254 N -0.68 1.05 -0.46 2.37 0.11 -1.76 -1.64 132.00 130.98 1k54 h PRO 254 Ca -0.04 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 1k54 h PRO 254 Cb 0.48 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1k54 h PRO 254 CO 0.07 0.70 0.26 1.15 -0.21 0.00 0.00 178.00 179.97 1k54 h THR 255 N 1.09 1.16 -0.75 -1.15 2.02 -1.18 0.97 112.91 115.07 1k54 h THR 255 Ca 0.43 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1k54 h THR 255 Cb 0.25 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1k54 h THR 255 CO -0.18 0.17 0.23 0.11 0.37 0.00 0.00 175.52 176.22 1k54 h LYS 256 N 0.61 1.17 -0.39 6.66 1.57 -0.76 0.17 116.57 125.60 1k54 h LYS 256 Ca 0.16 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1k54 h LYS 256 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1k54 h LYS 256 CO -0.03 0.99 0.04 0.82 -0.57 0.00 0.00 179.45 180.71 1k54 h ILE 257 N 1.12 1.25 -0.27 1.86 2.04 -0.92 -1.63 117.51 120.95 1k54 h ILE 257 Ca 0.24 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1k54 h ILE 257 Cb 0.32 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1k54 h ILE 257 CO -0.01 0.31 -0.11 0.24 0.00 0.00 0.00 178.15 178.59 1k54 h MET 258 N 0.50 0.45 -0.29 2.37 2.86 -0.48 -1.95 114.93 118.38 1k54 h MET 258 Ca 0.12 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1k54 h MET 258 Cb 0.40 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1k54 h MET 258 CO 0.01 0.56 0.16 0.93 1.06 0.00 0.00 176.91 179.63 1k54 h GLU 259 N 0.42 0.41 0.00 1.72 5.08 -0.44 -1.70 114.58 120.07 1k54 h GLU 259 Ca 0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1k54 h GLU 259 Cb 0.44 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1k54 h GLU 259 CO 0.02 0.35 -0.07 0.66 -1.00 0.00 0.00 179.01 178.97 1k54 h SER 260 N 0.36 0.00 0.06 1.42 4.64 -0.67 -0.45 113.55 118.91 1k54 h SER 260 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1k54 h SER 260 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1k54 h SER 260 CO -0.02 0.07 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.34 1k54 n GLU 261 N -3.54 1.35 -0.84 4.77 -0.58 -0.79 -4.93 120.64 116.07 1k54 n GLU 261 Ca -0.02 -0.68 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 1k54 n GLU 261 Cb 0.19 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1k54 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k54 n GLY 262 N 1.19 0.60 0.18 0.62 0.00 -0.18 -4.95 105.19 102.66 1k54 n GLY 262 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1k54 n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k54 h ILE 263 N 0.00 1.31 -0.00 -0.61 2.04 -1.51 -3.36 117.51 115.38 1k54 h ILE 263 Ca 0.00 -2.18 -0.02 0.00 1.00 0.00 0.00 64.86 63.65 1k54 h ILE 263 Cb 0.00 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1k54 h ILE 263 CO 0.00 0.67 -0.09 0.40 0.00 0.00 0.00 178.15 179.13 1k54 h ILE 264 N 0.28 1.57 0.00 -0.67 2.04 -1.83 -3.50 117.51 115.41 1k54 h ILE 264 Ca -0.11 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 63.94 1k54 h ILE 264 Cb 1.58 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 40.42 1k54 h ILE 264 CO 0.18 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.42