#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xbz n ASN 49 N 0.00 1.36 -4.36 1.08 6.94 -1.26 -5.03 115.26 113.98 2xbz n ASN 49 Ca 0.00 -2.96 -0.37 0.00 -0.02 0.00 0.00 54.58 51.23 2xbz n ASN 49 Cb 0.00 -0.41 -0.13 0.00 -2.36 0.00 0.00 39.78 36.88 2xbz n ASN 49 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2xbz s TRP 50 N -1.65 3.13 0.27 -2.53 0.52 -1.26 -2.87 118.94 114.55 2xbz s TRP 50 Ca 0.35 -0.88 0.06 0.00 0.02 0.00 0.00 56.10 55.66 2xbz s TRP 50 Cb 0.37 -2.25 -0.06 0.00 -1.15 0.00 0.00 33.47 30.39 2xbz s TRP 50 CO -0.11 -0.54 -0.06 1.03 0.02 0.00 0.00 176.95 177.29 2xbz s ARG 51 N 1.52 1.53 0.01 4.98 0.52 0.42 -0.98 118.95 126.94 2xbz s ARG 51 Ca 0.03 -1.77 -0.01 0.00 -0.52 0.00 0.00 55.73 53.47 2xbz s ARG 51 Cb -0.17 -1.12 -0.01 0.00 0.52 0.00 0.00 34.95 34.17 2xbz s ARG 51 CO 0.02 0.03 -0.00 -1.17 0.02 0.00 0.00 175.30 174.21 2xbz s LEU 52 N -3.43 2.08 -0.04 2.53 2.96 -0.18 -0.64 118.68 121.97 2xbz s LEU 52 Ca 0.29 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2xbz s LEU 52 Cb 0.04 0.12 0.03 0.00 0.50 0.00 0.00 46.19 46.88 2xbz s LEU 52 CO 0.12 -0.19 0.09 -0.22 -1.32 0.00 0.00 176.35 174.82 2xbz s LEU 53 N -0.89 0.92 -0.18 -0.68 0.20 -0.30 0.96 118.68 118.72 2xbz s LEU 53 Ca -0.10 0.17 -0.15 0.00 0.69 0.00 0.00 54.13 54.74 2xbz s LEU 53 Cb -0.06 0.15 -0.04 0.00 -0.43 0.00 0.00 46.19 45.80 2xbz s LEU 53 CO -0.00 -0.14 0.33 -0.13 -0.29 0.00 0.00 176.35 176.12 2xbz s ARG 54 N 1.09 4.23 -0.35 1.98 0.52 -1.26 -0.99 118.95 124.17 2xbz s ARG 54 Ca -0.09 0.13 -0.03 0.00 -0.52 0.00 0.00 55.73 55.22 2xbz s ARG 54 Cb -0.12 -3.47 0.07 0.00 0.52 0.00 0.00 34.95 31.95 2xbz s ARG 54 CO -0.04 0.13 0.11 0.34 0.02 0.00 0.00 175.30 175.85 2xbz s ASP 55 N 0.71 5.14 0.29 0.23 2.15 0.97 -4.96 116.67 121.20 2xbz s ASP 55 Ca 0.17 -1.55 0.15 0.00 0.43 0.00 0.00 52.55 51.75 2xbz s ASP 55 Cb -0.14 -1.80 0.22 0.00 -0.30 0.00 0.00 42.92 40.90 2xbz s ASP 55 CO 0.06 -0.39 1.51 -0.08 -0.17 0.00 0.00 175.17 176.09 2xbz h GLU 56 N 8.07 0.00 -0.01 4.34 4.57 -1.94 0.44 114.58 130.05 2xbz h GLU 56 Ca -0.18 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.92 2xbz h GLU 56 Cb 1.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2xbz h GLU 56 CO 0.62 0.53 -0.34 0.66 -1.18 0.00 0.00 179.01 179.30 2xbz h SER 57 N 0.00 0.02 -0.28 1.04 4.64 -1.93 -3.39 113.55 113.66 2xbz h SER 57 Ca -0.01 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2xbz h SER 57 Cb 1.29 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 2xbz h SER 57 CO 0.07 0.36 -0.11 0.00 -0.87 0.00 0.00 176.83 176.28 2xbz n ALA 58 N -2.48 -0.09 0.14 5.18 0.00 -1.15 -4.89 120.51 117.23 2xbz n ALA 58 Ca -0.02 0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2xbz n ALA 58 Cb 0.38 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 2xbz n ALA 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2xbz n GLN 59 N -1.96 4.45 -2.11 0.00 1.13 -1.26 -4.89 117.38 112.74 2xbz n GLN 59 Ca -0.06 -0.17 -0.34 0.00 -1.94 0.00 0.00 57.00 54.49 2xbz n GLN 59 Cb 0.30 -0.74 0.01 0.00 0.11 0.00 0.00 30.24 29.93 2xbz n GLN 59 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2xbz s LEU 60 N -1.69 3.63 0.33 1.08 1.43 -1.26 -5.05 118.68 117.14 2xbz s LEU 60 Ca 0.02 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.24 2xbz s LEU 60 Cb 0.02 -4.57 -0.06 0.00 0.03 0.00 0.00 46.19 41.61 2xbz s LEU 60 CO 0.10 -1.32 0.05 -0.13 0.23 0.00 0.00 176.35 175.29 2xbz s ARG 61 N -3.58 1.67 0.26 1.70 0.52 -1.26 -5.01 118.95 113.24 2xbz s ARG 61 Ca 0.70 -1.93 -0.02 0.00 -0.52 0.00 0.00 55.73 53.96 2xbz s ARG 61 Cb -0.22 -0.92 0.53 0.00 0.52 0.00 0.00 34.95 34.86 2xbz s ARG 61 CO 0.32 -0.18 1.72 0.97 0.02 0.00 0.00 175.30 178.15 2xbz h ILE 62 N 2.10 0.59 -0.26 1.52 6.09 -1.98 -1.38 117.51 124.18 2xbz h ILE 62 Ca -0.41 -0.14 0.05 0.00 -1.37 0.00 0.00 64.86 62.99 2xbz h ILE 62 Cb 1.24 0.14 -0.05 0.00 0.47 0.00 0.00 36.82 38.63 2xbz h ILE 62 CO 0.70 0.08 -0.06 0.00 -3.07 0.00 0.00 178.15 175.80 2xbz h ALA 63 N 1.60 0.18 -0.01 0.18 0.00 -2.00 -2.43 119.26 116.77 2xbz h ALA 63 Ca 0.45 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.49 2xbz h ALA 63 Cb 0.74 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2xbz h ALA 63 CO -0.45 -0.47 -0.18 -0.44 0.00 0.00 0.00 179.25 177.71 2xbz h ASP 64 N 0.00 -0.53 0.47 0.00 3.32 -1.69 -3.07 116.42 114.93 2xbz h ASP 64 Ca 0.13 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2xbz h ASP 64 Cb 0.19 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2xbz h ASP 64 CO -0.27 -0.24 0.00 1.33 -1.72 0.00 0.00 179.24 178.34 2xbz n VAL 65 N -5.31 1.08 0.62 -1.35 0.24 -0.75 -0.38 118.33 112.47 2xbz n VAL 65 Ca -0.05 0.30 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 2xbz n VAL 65 Cb 0.23 -1.14 0.27 0.00 -1.47 0.00 0.00 33.84 31.72 2xbz n VAL 65 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2xbz n LEU 66 N -1.74 0.71 -0.79 1.34 4.77 -0.97 -3.41 117.00 116.92 2xbz n LEU 66 Ca 0.02 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.48 2xbz n LEU 66 Cb 0.16 -0.24 0.19 0.00 -2.33 0.00 0.00 43.42 41.19 2xbz n LEU 66 CO 0.13 -0.09 0.64 0.00 -1.33 0.00 0.00 177.39 176.75 2xbz n GLN 67 N -2.12 2.02 -0.43 3.23 6.02 0.49 -4.11 117.38 122.47 2xbz n GLN 67 Ca 0.04 -1.58 0.07 0.00 -0.01 0.00 0.00 57.00 55.52 2xbz n GLN 67 Cb 0.43 -1.47 0.19 0.00 1.02 0.00 0.00 30.24 30.41 2xbz n GLN 67 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2xbz n ARG 68 N 0.89 1.55 -0.37 -1.09 1.74 -1.05 -4.86 116.66 113.47 2xbz n ARG 68 Ca 0.14 -3.04 0.32 0.00 -0.77 0.00 0.00 57.85 54.50 2xbz n ARG 68 Cb 0.53 -1.60 0.58 0.00 -1.02 0.00 0.00 32.46 30.95 2xbz n ARG 68 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2xbz h LYS 69 N 0.69 0.11 -0.00 5.56 1.57 -1.71 -0.38 116.57 122.40 2xbz h LYS 69 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2xbz h LYS 69 Cb 1.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2xbz h LYS 69 CO 0.04 0.07 -0.48 0.39 -0.57 0.00 0.00 179.45 178.90 2xbz n GLU 70 N -5.01 0.13 0.00 3.15 -0.58 -1.26 -3.58 120.64 113.48 2xbz n GLU 70 Ca 0.36 -0.07 0.09 0.00 -0.42 0.00 0.00 57.16 57.12 2xbz n GLU 70 Cb 1.26 -1.50 0.42 0.00 -0.57 0.00 0.00 31.44 31.06 2xbz n GLU 70 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2xbz n GLN 71 N -1.37 0.08 -2.62 3.49 6.02 -0.15 -4.81 117.38 118.02 2xbz n GLN 71 Ca 0.06 0.16 -0.42 0.00 -0.01 0.00 0.00 57.00 56.79 2xbz n GLN 71 Cb 0.34 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 2xbz n GLN 71 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2xbz s PHE 72 N -2.87 3.58 -0.23 1.08 0.40 -1.24 -4.82 117.98 113.89 2xbz s PHE 72 Ca 0.12 1.57 -0.10 0.00 -0.60 0.00 0.00 56.93 57.92 2xbz s PHE 72 Cb 0.12 -3.22 -0.05 0.00 0.51 0.00 0.00 43.02 40.39 2xbz s PHE 72 CO 0.32 -0.41 0.15 -0.98 0.70 0.00 0.00 175.22 175.00 2xbz s ARG 73 N 1.08 4.08 0.37 0.44 1.70 0.27 -4.70 118.95 122.19 2xbz s ARG 73 Ca 0.54 -0.27 -0.24 0.00 -0.47 0.00 0.00 55.73 55.29 2xbz s ARG 73 Cb -0.23 -3.50 -0.13 0.00 -0.57 0.00 0.00 34.95 30.52 2xbz s ARG 73 CO 0.28 0.11 0.67 -0.35 -1.08 0.00 0.00 175.30 174.93 2xbz n PRO 74 N 4.12 0.72 -3.47 3.89 -0.04 -1.26 -1.01 135.00 137.95 2xbz n PRO 74 Ca -0.15 0.26 -0.33 0.00 -0.04 0.00 0.00 63.50 63.23 2xbz n PRO 74 Cb 0.52 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2xbz n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2xbz s LEU 75 N 1.46 4.27 0.18 1.53 1.43 -0.16 -4.82 118.68 122.57 2xbz s LEU 75 Ca 0.62 0.89 0.13 0.00 -1.03 0.00 0.00 54.13 54.74 2xbz s LEU 75 Cb -0.66 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.14 2xbz s LEU 75 CO 0.58 0.05 1.26 0.00 0.23 0.00 0.00 176.35 178.47 2xbz h ALA 76 N 3.13 0.58 -2.61 4.21 0.00 -1.93 -3.47 119.26 119.17 2xbz h ALA 76 Ca -0.48 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 53.66 2xbz h ALA 76 Cb 1.18 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 2xbz h ALA 76 CO 0.68 0.91 -0.13 -1.59 0.00 0.00 0.00 179.25 179.12 2xbz s LYS 77 N -2.86 0.95 -0.94 0.00 -2.85 -1.26 -5.06 119.74 107.72 2xbz s LYS 77 Ca 0.02 -0.54 -0.06 0.00 -1.00 0.00 0.00 55.97 54.38 2xbz s LYS 77 Cb 0.08 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.25 2xbz s LYS 77 CO 0.78 -0.34 2.88 0.54 0.10 0.00 0.00 175.35 179.31 2xbz n ARG 78 N 0.23 3.35 -3.87 1.78 1.74 -1.26 -4.81 116.66 113.83 2xbz n ARG 78 Ca -0.17 -2.39 -0.07 0.00 -0.77 0.00 0.00 57.85 54.45 2xbz n ARG 78 Cb 0.61 -2.44 -0.02 0.00 -1.02 0.00 0.00 32.46 29.59 2xbz n ARG 78 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2xbz s SER 79 N 1.16 -0.25 0.06 0.55 1.04 -1.26 -5.12 113.70 109.88 2xbz s SER 79 Ca 0.62 -0.63 -0.21 0.00 0.48 0.00 0.00 55.95 56.20 2xbz s SER 79 Cb 0.26 0.72 0.05 0.00 0.10 0.00 0.00 66.02 67.14 2xbz s SER 79 CO -0.10 -1.33 0.50 0.72 0.98 0.00 0.00 173.24 174.01 2xbz s PHE 80 N -3.93 -0.39 -0.04 5.02 -0.12 -1.26 -4.97 117.98 112.29 2xbz s PHE 80 Ca 0.12 0.37 -0.03 0.00 -0.05 0.00 0.00 56.93 57.35 2xbz s PHE 80 Cb -0.06 0.33 0.02 0.00 -0.63 0.00 0.00 43.02 42.68 2xbz s PHE 80 CO 0.07 -0.65 0.10 -1.50 -0.05 0.00 0.00 175.22 173.20 2xbz s ILE 81 N -2.64 -0.02 0.02 -4.49 2.07 -1.26 -5.16 121.20 109.72 2xbz s ILE 81 Ca -0.04 0.08 0.03 0.00 -1.41 0.00 0.00 60.65 59.30 2xbz s ILE 81 Cb -0.00 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 2xbz s ILE 81 CO -0.03 0.03 -0.10 -0.36 -1.91 0.00 0.00 174.94 172.57 2xbz s PHE 82 N 0.48 0.84 0.67 3.50 0.08 -1.26 -5.15 117.98 117.14 2xbz s PHE 82 Ca -0.04 -0.28 -0.17 0.00 0.12 0.00 0.00 56.93 56.57 2xbz s PHE 82 Cb -0.05 -0.51 0.00 0.00 -0.57 0.00 0.00 43.02 41.89 2xbz s PHE 82 CO -0.02 -0.01 1.27 -2.14 -0.10 0.00 0.00 175.22 174.21 2xbz s PRO 83 N -0.77 2.45 -0.45 0.24 0.02 -1.26 -4.86 135.00 130.37 2xbz s PRO 83 Ca -0.00 1.98 -0.44 0.00 0.02 0.00 0.00 61.00 62.56 2xbz s PRO 83 Cb -0.06 -1.84 -0.18 0.00 0.02 0.00 0.00 34.50 32.44 2xbz s PRO 83 CO 0.00 -1.66 1.85 0.00 -0.33 0.00 0.00 177.00 176.87 2xbz n ALA 84 N -2.11 -0.44 -3.00 -1.55 0.00 -1.26 -4.95 120.51 107.20 2xbz n ALA 84 Ca 0.15 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.81 2xbz n ALA 84 Cb 0.49 -2.08 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 2xbz n ALA 84 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2xbz s SER 85 N 4.45 -0.18 0.00 0.00 1.04 -1.26 -5.04 113.70 112.72 2xbz s SER 85 Ca 1.09 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2xbz s SER 85 Cb -1.38 0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.15 2xbz s SER 85 CO 0.71 -0.71 0.71 -0.81 0.98 0.00 0.00 173.24 174.12 2xbz n PRO 86 N 0.25 0.98 -0.88 4.02 -0.04 -1.26 -4.91 135.00 133.15 2xbz n PRO 86 Ca -0.17 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.99 2xbz n PRO 86 Cb 0.61 -1.28 0.18 0.00 -0.04 0.00 0.00 33.50 32.98 2xbz n PRO 86 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2xbz s GLN 87 N -1.44 0.42 -0.12 0.54 -2.07 -1.26 -4.52 119.66 111.21 2xbz s GLN 87 Ca 0.00 0.95 0.02 0.00 -1.82 0.00 0.00 55.36 54.51 2xbz s GLN 87 Cb 0.00 -1.70 -0.00 0.00 -1.09 0.00 0.00 33.01 30.22 2xbz s GLN 87 CO 0.00 -2.85 -0.19 0.00 -1.32 0.00 0.00 175.29 170.92 2xbz s ALA 88 N -2.72 2.35 -0.18 2.60 0.00 0.15 -4.89 121.76 119.07 2xbz s ALA 88 Ca 0.66 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 2xbz s ALA 88 Cb -0.21 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 2xbz s ALA 88 CO 0.60 0.20 0.12 0.08 0.00 0.00 0.00 175.76 176.76 2xbz s VAL 89 N 0.47 5.36 -0.12 0.00 1.01 -1.26 -0.02 120.40 125.84 2xbz s VAL 89 Ca -0.13 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2xbz s VAL 89 Cb -0.17 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 2xbz s VAL 89 CO 0.06 0.48 -0.14 0.26 0.00 0.00 0.00 175.10 175.76 2xbz s TRP 90 N 0.04 2.78 -0.10 5.22 0.52 -0.16 -5.00 118.94 122.25 2xbz s TRP 90 Ca 0.09 -0.61 -0.03 0.00 0.02 0.00 0.00 56.10 55.57 2xbz s TRP 90 Cb -0.11 -1.81 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 2xbz s TRP 90 CO -0.00 -0.18 0.03 -1.17 0.02 0.00 0.00 176.95 175.65 2xbz s LEU 91 N 0.23 3.75 -0.08 2.99 2.96 -1.26 -1.15 118.68 126.12 2xbz s LEU 91 Ca -0.09 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2xbz s LEU 91 Cb -0.15 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.68 2xbz s LEU 91 CO 0.05 0.38 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.82 2xbz s GLN 92 N -0.86 1.26 -0.12 1.98 0.74 0.19 -4.99 119.66 117.85 2xbz s GLN 92 Ca 0.13 -0.19 0.01 0.00 0.05 0.00 0.00 55.36 55.36 2xbz s GLN 92 Cb -0.12 -1.29 0.02 0.00 1.10 0.00 0.00 33.01 32.72 2xbz s GLN 92 CO 0.03 -0.18 -0.12 0.08 -0.55 0.00 0.00 175.29 174.54 2xbz s VAL 93 N 1.39 1.37 -0.31 1.34 1.01 -1.26 -0.44 120.40 123.50 2xbz s VAL 93 Ca -0.02 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 2xbz s VAL 93 Cb -0.13 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 2xbz s VAL 93 CO -0.04 0.42 0.22 -1.10 0.00 0.00 0.00 175.10 174.60 2xbz s GLN 94 N 1.39 3.68 0.02 2.72 -1.52 -1.14 -5.07 119.66 119.74 2xbz s GLN 94 Ca 0.01 -0.51 0.08 0.00 -1.95 0.00 0.00 55.36 52.99 2xbz s GLN 94 Cb -0.13 -3.74 -0.02 0.00 -0.22 0.00 0.00 33.01 28.90 2xbz s GLN 94 CO -0.07 -0.33 -0.24 -0.51 -0.25 0.00 0.00 175.29 173.89 2xbz s LEU 95 N 1.73 2.11 0.00 2.90 1.43 -1.26 -4.95 118.68 120.65 2xbz s LEU 95 Ca 0.06 -0.50 -0.20 0.00 -1.03 0.00 0.00 54.13 52.47 2xbz s LEU 95 Cb -0.17 -1.18 0.28 0.00 0.03 0.00 0.00 46.19 45.16 2xbz s LEU 95 CO 0.11 0.25 1.12 -0.81 0.23 0.00 0.00 176.35 177.24 2xbz n PRO 96 N 2.11 -2.76 -1.61 1.29 -0.04 -1.26 -5.00 135.00 127.74 2xbz n PRO 96 Ca -0.16 -1.77 -0.37 0.00 -0.04 0.00 0.00 63.50 61.16 2xbz n PRO 96 Cb 0.52 -1.56 0.07 0.00 -0.04 0.00 0.00 33.50 32.49 2xbz n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2xbz n ALA 97 N -4.65 0.48 -2.84 0.55 0.00 -1.26 -5.00 120.51 107.79 2xbz n ALA 97 Ca -0.20 -0.04 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 2xbz n ALA 97 Cb 0.57 -2.20 -0.14 0.00 0.00 0.00 0.00 19.45 17.69 2xbz n ALA 97 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2xbz s GLN 98 N -3.14 3.04 -0.00 0.00 -1.52 -1.26 -5.02 119.66 111.77 2xbz s GLN 98 Ca 0.79 -0.68 0.16 0.00 -1.95 0.00 0.00 55.36 53.67 2xbz s GLN 98 Cb -0.39 -2.54 -0.18 0.00 -0.22 0.00 0.00 33.01 29.68 2xbz s GLN 98 CO 0.45 0.38 0.69 1.63 -0.25 0.00 0.00 175.29 178.19 2xbz n LYS 99 N 3.03 0.63 -4.13 2.91 5.02 -1.26 -4.98 118.16 119.38 2xbz n LYS 99 Ca -0.18 0.21 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 2xbz n LYS 99 Cb 0.53 -1.77 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 2xbz n LYS 99 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2xbz s VAL 100 N -2.80 0.77 0.32 -0.18 -7.23 -1.26 -5.12 120.40 104.90 2xbz s VAL 100 Ca -0.04 -1.41 -0.26 0.00 -1.81 0.00 0.00 61.98 58.46 2xbz s VAL 100 Cb 0.08 -1.06 -0.14 0.00 0.56 0.00 0.00 36.38 35.82 2xbz s VAL 100 CO 0.82 -0.49 0.77 -2.65 -0.31 0.00 0.00 175.10 173.24 2xbz n PRO 101 N 0.94 0.84 -3.62 4.82 -0.02 -1.26 -4.97 135.00 131.72 2xbz n PRO 101 Ca -0.19 0.30 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 2xbz n PRO 101 Cb 0.56 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 2xbz n PRO 101 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2xbz s SER 102 N -0.78 -0.29 0.04 2.55 1.04 -1.26 -5.17 113.70 109.83 2xbz s SER 102 Ca 0.61 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.86 2xbz s SER 102 Cb -0.71 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 65.85 2xbz s SER 102 CO 0.58 -0.80 -0.08 0.26 0.98 0.00 0.00 173.24 174.19 2xbz s TRP 103 N -3.27 0.67 -0.11 5.02 0.51 -1.26 -5.10 118.94 115.40 2xbz s TRP 103 Ca 0.08 -0.46 -0.23 0.00 -2.12 0.00 0.00 56.10 53.37 2xbz s TRP 103 Cb -0.01 -0.40 -0.03 0.00 -0.81 0.00 0.00 33.47 32.21 2xbz s TRP 103 CO -0.04 -0.07 0.70 -1.17 -0.51 0.00 0.00 176.95 175.86 2xbz s LEU 104 N -1.45 4.25 -0.18 2.99 2.96 -1.26 -5.04 118.68 120.95 2xbz s LEU 104 Ca -0.09 1.10 -0.05 0.00 -0.22 0.00 0.00 54.13 54.87 2xbz s LEU 104 Cb -0.09 -3.05 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 2xbz s LEU 104 CO 0.00 -0.19 -0.01 0.86 -1.32 0.00 0.00 176.35 175.69 2xbz s TRP 105 N 1.27 3.05 -0.11 5.38 -0.00 -1.26 -5.10 118.94 122.17 2xbz s TRP 105 Ca 0.35 -0.36 0.00 0.00 -0.00 0.00 0.00 56.10 56.09 2xbz s TRP 105 Cb -0.17 -2.04 0.02 0.00 -0.00 0.00 0.00 33.47 31.29 2xbz s TRP 105 CO 0.15 -0.14 -0.09 0.42 -0.00 0.00 0.00 176.95 177.30 2xbz s ILE 106 N 0.72 1.05 -0.44 5.86 1.01 -1.26 -5.09 121.20 123.05 2xbz s ILE 106 Ca -0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 2xbz s ILE 106 Cb -0.14 -1.05 0.06 0.00 0.01 0.00 0.00 42.46 41.34 2xbz s ILE 106 CO 0.02 0.37 0.33 0.12 0.00 0.00 0.00 174.94 175.78 2xbz s PHE 107 N 1.53 3.27 -0.51 3.97 5.36 -1.26 -4.99 117.98 125.35 2xbz s PHE 107 Ca 0.02 -1.03 0.07 0.00 -0.96 0.00 0.00 56.93 55.02 2xbz s PHE 107 Cb -0.13 -2.96 0.37 0.00 -0.34 0.00 0.00 43.02 39.96 2xbz s PHE 107 CO -0.06 -0.77 0.96 0.00 -1.46 0.00 0.00 175.22 173.90 2xbz n ALA 108 N 5.11 4.40 -1.73 11.12 0.00 -1.26 -5.08 120.51 133.06 2xbz n ALA 108 Ca -0.12 -4.37 -0.42 0.00 0.00 0.00 0.00 53.44 48.53 2xbz n ALA 108 Cb 0.44 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 2xbz n ALA 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2xbz n PRO 109 N -0.23 2.48 -0.39 0.00 -0.04 -1.26 -1.53 135.00 134.03 2xbz n PRO 109 Ca 0.31 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 2xbz n PRO 109 Cb 0.51 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2xbz n PRO 109 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2xbz n ARG 110 N 1.38 0.00 -2.03 0.54 1.74 -1.26 -4.99 116.66 112.04 2xbz n ARG 110 Ca 0.06 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 2xbz n ARG 110 Cb 0.36 -2.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.29 2xbz n ARG 110 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2xbz s VAL 111 N -2.86 3.29 -0.04 1.55 1.01 -0.58 -4.91 120.40 117.86 2xbz s VAL 111 Ca 0.00 0.70 -0.17 0.00 0.00 0.00 0.00 61.98 62.51 2xbz s VAL 111 Cb 0.00 -3.45 -0.31 0.00 0.00 0.00 0.00 36.38 32.62 2xbz s VAL 111 CO 0.00 -0.01 0.79 1.56 0.00 0.00 0.00 175.10 177.45 2xbz h GLN 112 N 8.26 0.37 -4.11 2.72 4.20 -1.93 0.88 115.11 125.50 2xbz h GLN 112 Ca -0.41 -0.63 -0.54 0.00 0.06 0.00 0.00 58.65 57.13 2xbz h GLN 112 Cb 1.19 0.23 -0.38 0.00 0.30 0.00 0.00 27.48 28.83 2xbz h GLN 112 CO 0.92 1.30 -0.79 0.71 -0.67 0.00 0.00 178.83 180.30 2xbz s TYR 113 N -2.51 1.61 -0.11 2.96 2.02 -1.26 -1.04 117.35 119.02 2xbz s TYR 113 Ca -0.14 -1.01 0.02 0.00 -0.37 0.00 0.00 57.07 55.57 2xbz s TYR 113 Cb 0.03 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 2xbz s TYR 113 CO 0.85 -0.60 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.88 2xbz s LEU 114 N 1.66 2.42 -0.07 -1.29 0.20 -0.28 -4.90 118.68 116.44 2xbz s LEU 114 Ca 0.01 -0.42 0.02 0.00 0.69 0.00 0.00 54.13 54.43 2xbz s LEU 114 Cb -0.15 -1.51 0.01 0.00 -0.43 0.00 0.00 46.19 44.11 2xbz s LEU 114 CO -0.08 0.18 -0.11 -1.81 -0.29 0.00 0.00 176.35 174.24 2xbz s ASP 115 N 0.22 1.74 0.00 3.68 1.01 -1.26 -0.31 116.67 121.75 2xbz s ASP 115 Ca -0.12 -0.29 0.08 0.00 0.71 0.00 0.00 52.55 52.93 2xbz s ASP 115 Cb -0.16 -0.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.94 2xbz s ASP 115 CO 0.06 0.02 -0.23 -0.47 0.21 0.00 0.00 175.17 174.76 2xbz s TYR 116 N 0.75 2.43 -0.08 4.23 5.04 -0.19 -5.00 117.35 124.53 2xbz s TYR 116 Ca -0.13 -0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.09 2xbz s TYR 116 Cb -0.16 -1.48 0.03 0.00 0.35 0.00 0.00 41.96 40.70 2xbz s TYR 116 CO 0.03 0.09 0.19 0.71 -1.34 0.00 0.00 175.55 175.22 2xbz s TYR 117 N -0.74 -0.22 -0.18 4.97 2.02 -1.26 -1.60 117.35 120.35 2xbz s TYR 117 Ca 0.11 0.55 -0.03 0.00 -0.37 0.00 0.00 57.07 57.34 2xbz s TYR 117 Cb -0.10 0.02 -0.01 0.00 -0.40 0.00 0.00 41.96 41.47 2xbz s TYR 117 CO 0.01 -0.15 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.60 2xbz s LEU 118 N 0.66 2.90 0.01 -1.29 2.96 -0.36 -4.99 118.68 118.56 2xbz s LEU 118 Ca -0.05 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.61 2xbz s LEU 118 Cb -0.06 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2xbz s LEU 118 CO -0.03 0.07 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.18 2xbz s VAL 119 N 0.92 2.62 -0.17 1.68 1.01 -1.26 -0.53 120.40 124.67 2xbz s VAL 119 Ca -0.01 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 2xbz s VAL 119 Cb -0.15 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.27 2xbz s VAL 119 CO 0.00 0.45 0.38 -1.10 0.00 0.00 0.00 175.10 174.84 2xbz s GLN 120 N -1.09 0.31 -1.30 2.72 -0.21 -0.23 -4.87 119.66 115.00 2xbz s GLN 120 Ca 0.13 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.40 2xbz s GLN 120 Cb -0.10 0.15 0.00 0.00 1.00 0.00 0.00 33.01 34.06 2xbz s GLN 120 CO 0.02 -0.23 0.00 -0.25 -2.12 0.00 0.00 175.29 172.72 2xbz n ASP 121 N 5.00 -4.77 0.00 5.90 9.92 -1.26 -1.17 116.55 130.16 2xbz n ASP 121 Ca -0.13 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 2xbz n ASP 121 Cb 0.51 -3.35 0.00 0.00 -0.64 0.00 0.00 41.12 37.64 2xbz n ASP 121 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2xbz n GLY 122 N -1.08 0.59 3.48 0.44 0.00 -1.26 -5.06 105.19 102.30 2xbz n GLY 122 Ca -0.12 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2xbz n GLY 122 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xbz s GLN 123 N -0.78 2.80 -0.31 1.61 -1.52 -0.32 -5.08 119.66 116.05 2xbz s GLN 123 Ca 0.00 -0.65 -0.29 0.00 -1.95 0.00 0.00 55.36 52.47 2xbz s GLN 123 Cb 0.00 -2.51 -0.00 0.00 -0.22 0.00 0.00 33.01 30.28 2xbz s GLN 123 CO 0.00 0.53 1.42 -1.17 -0.25 0.00 0.00 175.29 175.83 2xbz s LEU 124 N -0.48 3.79 -0.25 2.90 0.20 -1.26 -1.06 118.68 122.51 2xbz s LEU 124 Ca 0.07 1.21 -0.12 0.00 0.69 0.00 0.00 54.13 55.97 2xbz s LEU 124 Cb -0.12 -3.54 -0.16 0.00 -0.43 0.00 0.00 46.19 41.95 2xbz s LEU 124 CO 0.02 -1.24 -0.15 0.52 -0.29 0.00 0.00 176.35 175.21 2xbz n VAL 125 N 6.53 1.54 -4.21 1.68 0.31 0.31 -4.99 118.33 119.52 2xbz n VAL 125 Ca 0.16 -0.36 -0.12 0.00 -0.01 0.00 0.00 64.34 64.01 2xbz n VAL 125 Cb 0.47 -1.83 -0.10 0.00 -0.91 0.00 0.00 33.84 31.47 2xbz n VAL 125 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2xbz s ARG 126 N -2.48 0.94 -0.24 5.55 0.52 -1.18 -4.99 118.95 117.06 2xbz s ARG 126 Ca -0.35 -1.38 -0.18 0.00 -0.52 0.00 0.00 55.73 53.31 2xbz s ARG 126 Cb 0.11 -0.42 0.07 0.00 0.52 0.00 0.00 34.95 35.23 2xbz s ARG 126 CO 0.55 0.03 0.62 0.16 0.02 0.00 0.00 175.30 176.69 2xbz s ASP 127 N -3.06 -0.76 0.17 0.23 1.47 -1.26 -1.22 116.67 112.25 2xbz s ASP 127 Ca 0.14 1.32 0.08 0.00 1.18 0.00 0.00 52.55 55.26 2xbz s ASP 127 Cb 0.03 1.25 -0.04 0.00 -0.34 0.00 0.00 42.92 43.82 2xbz s ASP 127 CO -0.02 -0.22 -0.17 -1.10 0.68 0.00 0.00 175.17 174.34 2xbz s GLN 128 N 1.04 1.27 -0.10 2.11 -0.21 -0.63 -4.99 119.66 118.15 2xbz s GLN 128 Ca -0.06 -1.44 -0.02 0.00 0.02 0.00 0.00 55.36 53.86 2xbz s GLN 128 Cb -0.05 -1.25 0.04 0.00 1.00 0.00 0.00 33.01 32.74 2xbz s GLN 128 CO -0.10 0.24 0.01 -1.01 -2.12 0.00 0.00 175.29 172.32 2xbz s HIS 129 N -2.28 0.69 0.00 0.91 3.76 -1.26 -1.02 115.29 116.09 2xbz s HIS 129 Ca 0.17 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 2xbz s HIS 129 Cb -0.04 -0.83 0.00 0.00 1.11 0.00 0.00 32.58 32.82 2xbz s HIS 129 CO 0.06 -0.39 0.00 -2.37 -0.85 0.00 0.00 174.74 171.20 2xbz n THR 130 N 5.14 0.00 0.00 1.30 5.66 0.58 -4.91 114.28 122.05 2xbz n THR 130 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2xbz n THR 130 Cb 0.49 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 2xbz n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2xbz n GLY 131 N 0.00 1.51 0.20 1.09 0.00 -1.26 -1.12 105.19 105.61 2xbz n GLY 131 Ca 0.00 -2.23 0.12 0.00 0.00 0.00 0.00 46.02 43.91 2xbz n GLY 131 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2xbz h GLU 132 N 0.00 0.00 -0.38 1.61 5.08 0.05 -3.15 114.58 117.79 2xbz h GLU 132 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xbz h GLU 132 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2xbz h GLU 132 CO 0.00 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 2xbz n SER 133 N -2.92 2.25 -4.26 1.42 7.64 -0.21 -4.87 113.62 112.67 2xbz n SER 133 Ca 0.04 -1.94 -0.14 0.00 1.01 0.00 0.00 58.87 57.84 2xbz n SER 133 Cb 0.50 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 2xbz n SER 133 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2xbz s ARG 134 N -1.50 1.20 0.42 1.43 0.52 -1.19 -5.06 118.95 114.77 2xbz s ARG 134 Ca 0.30 -1.60 -0.25 0.00 -0.52 0.00 0.00 55.73 53.66 2xbz s ARG 134 Cb 0.16 -0.25 -0.10 0.00 0.52 0.00 0.00 34.95 35.28 2xbz s ARG 134 CO 0.22 -0.18 1.19 -2.30 0.02 0.00 0.00 175.30 174.24 2xbz n PRO 135 N -0.31 1.72 -0.98 3.54 -0.02 -1.26 -4.60 135.00 133.10 2xbz n PRO 135 Ca -0.04 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 2xbz n PRO 135 Cb 0.64 -2.27 0.14 0.00 -0.02 0.00 0.00 33.50 31.99 2xbz n PRO 135 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2xbz s PHE 136 N -1.22 2.08 0.71 6.00 5.36 -1.26 -4.54 117.98 125.10 2xbz s PHE 136 Ca 0.62 1.60 -0.16 0.00 -0.96 0.00 0.00 56.93 58.03 2xbz s PHE 136 Cb -0.52 -3.19 0.02 0.00 -0.34 0.00 0.00 43.02 39.00 2xbz s PHE 136 CO 0.57 -2.40 1.23 1.14 -1.46 0.00 0.00 175.22 174.29 2xbz s GLN 137 N -4.78 2.27 0.35 10.12 -2.07 -1.26 -4.96 119.66 119.32 2xbz s GLN 137 Ca 0.64 1.84 -0.27 0.00 -1.82 0.00 0.00 55.36 55.75 2xbz s GLN 137 Cb -0.20 -1.84 -0.12 0.00 -1.09 0.00 0.00 33.01 29.76 2xbz s GLN 137 CO 0.57 -1.76 1.19 0.39 -1.32 0.00 0.00 175.29 174.37 2xbz n GLU 138 N -2.48 1.84 -4.03 9.60 1.02 -1.26 -5.02 120.64 120.31 2xbz n GLU 138 Ca 0.14 0.65 -0.12 0.00 -0.02 0.00 0.00 57.16 57.81 2xbz n GLU 138 Cb 0.50 -2.19 -0.11 0.00 -0.02 0.00 0.00 31.44 29.61 2xbz n GLU 138 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2xbz s ARG 139 N -1.87 0.45 0.46 3.49 1.81 -1.26 -5.03 118.95 117.00 2xbz s ARG 139 Ca 0.58 -0.70 0.31 0.00 -1.72 0.00 0.00 55.73 54.20 2xbz s ARG 139 Cb -0.59 -0.15 1.35 0.00 -0.45 0.00 0.00 34.95 35.12 2xbz s ARG 139 CO 0.61 0.01 1.93 -1.35 -0.68 0.00 0.00 175.30 175.81 2xbz h PRO 140 N 4.56 0.00 -4.07 3.54 0.11 -1.88 -3.43 132.00 130.82 2xbz h PRO 140 Ca -0.34 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.64 2xbz h PRO 140 Cb 1.20 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 2xbz h PRO 140 CO 0.41 0.00 -0.61 -0.51 -0.21 0.00 0.00 178.00 177.08 2xbz s LEU 141 N -5.56 2.19 0.24 2.35 1.43 -1.26 -5.02 118.68 113.05 2xbz s LEU 141 Ca 0.01 -0.81 -0.31 0.00 -1.03 0.00 0.00 54.13 51.99 2xbz s LEU 141 Cb 0.09 0.38 -0.11 0.00 0.03 0.00 0.00 46.19 46.58 2xbz s LEU 141 CO 0.46 -0.57 1.62 -2.84 0.23 0.00 0.00 176.35 175.26 2xbz s PRO 142 N -3.41 4.15 0.63 1.29 0.02 -1.26 -4.85 135.00 131.57 2xbz s PRO 142 Ca 0.02 2.54 0.41 0.00 0.02 0.00 0.00 61.00 63.99 2xbz s PRO 142 Cb 0.04 -3.06 2.11 0.00 0.02 0.00 0.00 34.50 33.60 2xbz s PRO 142 CO -0.08 -0.65 2.26 0.66 -0.33 0.00 0.00 177.00 178.86 2xbz h SER 143 N 5.78 0.00 -0.57 2.53 4.64 -1.97 -0.01 113.55 123.95 2xbz h SER 143 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2xbz h SER 143 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2xbz h SER 143 CO 0.86 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 177.37 2xbz n ARG 144 N -3.13 3.38 -0.79 4.77 5.12 -1.26 -4.95 116.66 119.80 2xbz n ARG 144 Ca -0.02 -2.49 -0.33 0.00 -1.93 0.00 0.00 57.85 53.09 2xbz n ARG 144 Cb 0.14 -1.82 0.13 0.00 -1.16 0.00 0.00 32.46 29.75 2xbz n ARG 144 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2xbz n SER 145 N 0.96 -1.37 -4.77 0.55 7.64 -0.02 -5.00 113.62 111.60 2xbz n SER 145 Ca 0.22 0.37 -0.36 0.00 1.01 0.00 0.00 58.87 60.12 2xbz n SER 145 Cb 0.79 -1.28 -0.08 0.00 -1.01 0.00 0.00 64.21 62.63 2xbz n SER 145 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2xbz s TYR 146 N -2.43 3.37 -0.01 1.43 2.02 -1.26 -5.07 117.35 115.41 2xbz s TYR 146 Ca 0.60 0.35 0.07 0.00 -0.37 0.00 0.00 57.07 57.72 2xbz s TYR 146 Cb -0.22 -1.88 -0.02 0.00 -0.40 0.00 0.00 41.96 39.44 2xbz s TYR 146 CO 0.64 0.58 -0.24 -0.51 -1.57 0.00 0.00 175.55 174.45 2xbz s LEU 147 N -0.87 2.06 -0.08 -1.29 1.43 -1.26 -5.12 118.68 113.55 2xbz s LEU 147 Ca 0.13 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2xbz s LEU 147 Cb -0.12 -1.20 0.03 0.00 0.03 0.00 0.00 46.19 44.93 2xbz s LEU 147 CO 0.03 0.28 0.01 -0.36 0.23 0.00 0.00 176.35 176.54 2xbz s PHE 148 N -0.59 0.64 0.09 0.29 0.08 -1.26 -5.12 117.98 112.11 2xbz s PHE 148 Ca 0.09 -0.21 -0.31 0.00 0.12 0.00 0.00 56.93 56.63 2xbz s PHE 148 Cb -0.09 -0.80 -0.08 0.00 -0.57 0.00 0.00 43.02 41.48 2xbz s PHE 148 CO -0.00 -0.35 1.48 0.45 -0.10 0.00 0.00 175.22 176.69 2xbz s SER 149 N 1.98 6.74 -0.18 1.36 0.15 -1.26 -5.00 113.70 117.49 2xbz s SER 149 Ca 0.04 2.37 -0.12 0.00 0.70 0.00 0.00 55.95 58.94 2xbz s SER 149 Cb -0.13 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 2xbz s SER 149 CO -0.05 -0.75 0.22 -0.76 1.20 0.00 0.00 173.24 173.10 2xbz s LEU 150 N 1.71 4.22 0.22 3.45 1.43 -1.26 -5.07 118.68 123.37 2xbz s LEU 150 Ca 0.67 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.85 2xbz s LEU 150 Cb -0.38 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.51 2xbz s LEU 150 CO 0.30 0.12 1.20 -2.16 0.23 0.00 0.00 176.35 176.04 2xbz s PRO 151 N 0.49 4.50 -0.64 1.29 0.04 -1.26 -5.00 135.00 134.42 2xbz s PRO 151 Ca 0.13 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 62.86 2xbz s PRO 151 Cb -0.12 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 31.29 2xbz s PRO 151 CO 0.02 -0.06 0.87 0.08 0.04 0.00 0.00 177.00 177.95 2xbz s VAL 152 N -0.34 4.52 0.00 -0.36 1.01 -1.26 -4.83 120.40 119.14 2xbz s VAL 152 Ca 0.51 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2xbz s VAL 152 Cb -0.33 -4.62 0.04 0.00 0.00 0.00 0.00 36.38 31.46 2xbz s VAL 152 CO 0.39 -1.34 0.86 -0.90 0.00 0.00 0.00 175.10 174.11 2xbz n ASP 153 N 7.17 0.04 0.00 3.32 5.68 -1.26 -5.02 116.55 126.47 2xbz n ASP 153 Ca -0.05 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.55 2xbz n ASP 153 Cb 0.44 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2xbz n ASP 153 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2xbz n GLY 154 N 0.04 0.72 3.53 6.12 0.00 -1.26 -4.98 105.19 109.36 2xbz n GLY 154 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2xbz n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xbz s LYS 155 N -0.34 2.20 0.00 1.61 -0.14 -1.26 -5.31 119.74 116.49 2xbz s LYS 155 Ca 0.00 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 2xbz s LYS 155 Cb 0.00 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 2xbz s LYS 155 CO 0.00 0.54 0.00 -2.30 -0.76 0.00 0.00 175.35 172.83 2xbz n PRO 156 N 1.26 -0.04 -3.82 -1.68 -0.02 -1.26 -5.06 135.00 124.37 2xbz n PRO 156 Ca -0.15 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.21 2xbz n PRO 156 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.91 2xbz n PRO 156 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2xbz s THR 158 N -0.35 0.07 0.04 3.45 2.01 -1.26 -5.11 115.64 114.49 2xbz s THR 158 Ca 0.00 -0.61 0.05 0.00 0.31 0.00 0.00 61.69 61.44 2xbz s THR 158 Cb 0.00 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 2xbz s THR 158 CO 0.00 -0.34 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.70 2xbz s LEU 159 N -1.41 2.17 0.01 4.42 1.43 -1.26 -5.14 118.68 118.90 2xbz s LEU 159 Ca -0.14 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 2xbz s LEU 159 Cb -0.06 -0.59 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 2xbz s LEU 159 CO 0.02 0.03 -0.12 -0.31 0.23 0.00 0.00 176.35 176.20 2xbz s TYR 160 N -0.86 1.07 -0.07 0.29 1.51 -1.26 -5.13 117.35 112.91 2xbz s TYR 160 Ca 0.01 -0.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2xbz s TYR 160 Cb -0.08 -0.66 0.04 0.00 -0.11 0.00 0.00 41.96 41.15 2xbz s TYR 160 CO 0.01 0.00 0.14 0.08 -1.11 0.00 0.00 175.55 174.67 2xbz s VAL 161 N -0.57 -0.18 0.47 0.71 1.01 -1.26 -5.29 120.40 115.30 2xbz s VAL 161 Ca 0.02 0.30 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2xbz s VAL 161 Cb -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.09 2xbz s VAL 161 CO 0.00 0.13 0.55 -0.60 0.00 0.00 0.00 175.10 175.18 2xbz s ARG 162 N 1.89 2.55 0.00 2.72 3.52 -1.26 -5.30 118.95 123.08 2xbz s ARG 162 Ca -0.01 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.08 2xbz s ARG 162 Cb -0.12 -2.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 2xbz s ARG 162 CO -0.05 -0.43 0.00 2.41 -0.81 0.00 0.00 175.30 176.42 2xbz n THR 164 N -1.84 0.00 -3.69 4.11 -1.04 -1.26 -5.30 114.28 105.27 2xbz n THR 164 Ca 0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.99 2xbz n THR 164 Cb 0.61 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.09 2xbz n THR 164 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2xbz s SER 165 N 0.00 -0.35 -0.01 8.00 0.15 -1.26 -5.04 113.70 115.19 2xbz s SER 165 Ca 0.00 -0.38 0.15 0.00 0.70 0.00 0.00 55.95 56.42 2xbz s SER 165 Cb 0.00 0.63 -0.21 0.00 -1.71 0.00 0.00 66.02 64.73 2xbz s SER 165 CO 0.00 -1.12 0.44 -0.46 1.20 0.00 0.00 173.24 173.29 2xbz n ASN 166 N -0.39 1.23 -4.91 5.45 0.23 -1.26 -4.93 115.26 110.68 2xbz n ASN 166 Ca -0.10 -0.29 -0.28 0.00 -0.53 0.00 0.00 54.58 53.38 2xbz n ASN 166 Cb 0.62 1.46 0.06 0.00 -2.08 0.00 0.00 39.78 39.84 2xbz n ASN 166 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2xbz s HIS 167 N -2.83 3.06 0.25 -2.53 3.76 -1.26 -5.04 115.29 110.70 2xbz s HIS 167 Ca -0.02 0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 55.28 2xbz s HIS 167 Cb 0.10 -3.19 -0.14 0.00 1.11 0.00 0.00 32.58 30.45 2xbz s HIS 167 CO 0.63 -1.39 1.15 -0.35 -0.85 0.00 0.00 174.74 173.93 2xbz n PRO 168 N -3.01 1.47 -3.02 8.40 -0.04 -1.26 -5.13 135.00 132.41 2xbz n PRO 168 Ca 0.07 0.52 -0.33 0.00 -0.04 0.00 0.00 63.50 63.72 2xbz n PRO 168 Cb 0.60 -2.00 -0.06 0.00 -0.04 0.00 0.00 33.50 31.99 2xbz n PRO 168 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2xbz s LEU 169 N 0.35 4.05 0.00 1.53 1.43 -1.26 -5.01 118.68 119.77 2xbz s LEU 169 Ca 0.65 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.19 2xbz s LEU 169 Cb -0.73 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.30 2xbz s LEU 169 CO 0.56 -0.23 0.00 0.00 0.23 0.00 0.00 176.35 176.90 2xbz n ALA 171 N -0.35 0.00 -2.51 4.21 0.00 -1.26 -5.15 120.51 115.45 2xbz n ALA 171 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 2xbz n ALA 171 Cb 0.53 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.87 2xbz n ALA 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2xbz s TRP 172 N -1.18 2.63 -0.07 0.00 0.51 -1.26 -5.15 118.94 114.42 2xbz s TRP 172 Ca 0.00 -0.21 -0.29 0.00 -2.12 0.00 0.00 56.10 53.47 2xbz s TRP 172 Cb 0.00 -1.43 0.10 0.00 -0.81 0.00 0.00 33.47 31.33 2xbz s TRP 172 CO 0.00 0.35 0.86 -0.59 -0.51 0.00 0.00 176.95 177.06 2xbz s PHE 173 N -1.08 -0.45 0.19 -1.98 -0.12 -1.26 -5.09 117.98 108.19 2xbz s PHE 173 Ca 0.18 0.63 -0.23 0.00 -0.05 0.00 0.00 56.93 57.46 2xbz s PHE 173 Cb -0.11 0.47 0.07 0.00 -0.63 0.00 0.00 43.02 42.82 2xbz s PHE 173 CO 0.09 -0.50 1.01 0.34 -0.05 0.00 0.00 175.22 176.11 2xbz s ASP 174 N -1.58 -0.04 -0.20 1.98 3.68 -1.26 -5.13 116.67 114.11 2xbz s ASP 174 Ca -0.02 -0.63 -0.09 0.00 2.13 0.00 0.00 52.55 53.93 2xbz s ASP 174 Cb -0.01 0.52 -0.05 0.00 -1.45 0.00 0.00 42.92 41.94 2xbz s ASP 174 CO 0.00 -1.01 0.11 -1.58 0.13 0.00 0.00 175.17 172.82 2xbz s GLN 175 N -2.47 4.11 0.15 4.34 0.74 -1.26 -5.09 119.66 120.19 2xbz s GLN 175 Ca 0.19 -0.27 0.05 0.00 0.05 0.00 0.00 55.36 55.38 2xbz s GLN 175 Cb -0.02 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.68 2xbz s GLN 175 CO 0.05 0.27 -0.11 0.96 -0.55 0.00 0.00 175.29 175.91 2xbz s ILE 176 N 0.42 1.27 0.37 -2.34 -4.36 -1.26 -5.15 121.20 110.16 2xbz s ILE 176 Ca 0.06 -2.06 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 2xbz s ILE 176 Cb -0.12 -1.85 0.04 0.00 1.25 0.00 0.00 42.46 41.79 2xbz s ILE 176 CO -0.01 -0.70 0.37 -0.90 0.24 0.00 0.00 174.94 173.94 2xbz n ASP 177 N -0.17 1.87 -0.17 4.36 5.75 -1.26 -4.98 116.55 121.95 2xbz n ASP 177 Ca -0.10 -2.16 -0.08 0.00 -0.01 0.00 0.00 54.79 52.44 2xbz n ASP 177 Cb 0.60 -0.12 -0.02 0.00 -1.03 0.00 0.00 41.12 40.55 2xbz n ASP 177 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2xbz h GLU 178 N 0.00 -0.23 -0.71 0.11 3.07 -2.02 -2.59 114.58 112.22 2xbz h GLU 178 Ca -0.21 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2xbz h GLU 178 Cb 0.83 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.72 2xbz h GLU 178 CO 0.32 -0.15 0.35 0.00 -1.40 0.00 0.00 179.01 178.12 2xbz h ALA 179 N 0.69 0.98 0.00 3.43 0.00 -1.97 -1.69 119.26 120.71 2xbz h ALA 179 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2xbz h ALA 179 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2xbz h ALA 179 CO -0.63 -0.06 0.00 0.78 0.00 0.00 0.00 179.25 179.34 2xbz h GLY 180 N 0.59 0.00 1.45 0.00 0.00 -1.79 -0.21 103.07 103.11 2xbz h GLY 180 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.46 2xbz h GLY 180 CO -0.28 0.00 -1.26 -2.00 0.00 0.00 0.00 176.54 173.00 2xbz h LEU 181 N 0.00 0.00 0.00 3.11 5.85 -0.96 -3.36 115.31 119.95 2xbz h LEU 181 Ca 0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 2xbz h LEU 181 Cb 0.49 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 2xbz h LEU 181 CO 0.00 0.86 -2.23 0.52 -0.34 0.00 0.00 178.44 177.25 2xbz n VAL 182 N -3.14 1.02 0.00 1.05 0.31 -0.94 -4.84 118.33 111.78 2xbz n VAL 182 Ca -0.07 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 2xbz n VAL 182 Cb 0.94 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2xbz n VAL 182 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2xbz n GLY 183 N 1.71 -1.58 3.25 2.92 0.00 -0.12 -4.80 105.19 106.57 2xbz n GLY 183 Ca -0.25 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 2xbz n GLY 183 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2xbz s LEU 184 N -4.11 6.10 0.00 0.99 -0.00 -1.26 -4.81 118.68 115.59 2xbz s LEU 184 Ca 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 54.13 51.79 2xbz s LEU 184 Cb 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 46.19 44.10 2xbz s LEU 184 CO 0.00 -0.63 0.00 -1.84 -0.00 0.00 0.00 176.35 173.88