#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xbz s GLN 48 N 0.00 0.45 -0.00 3.52 -0.21 -1.26 -5.02 119.66 117.13 2xbz s GLN 48 Ca 0.00 -0.38 0.05 0.00 0.02 0.00 0.00 55.36 55.05 2xbz s GLN 48 Cb 0.00 0.19 0.16 0.00 1.00 0.00 0.00 33.01 34.35 2xbz s GLN 48 CO 0.00 -0.10 1.11 0.09 -2.12 0.00 0.00 175.29 174.26 2xbz n ASN 49 N 1.56 1.01 -4.25 5.90 3.02 -1.26 -4.82 115.26 116.42 2xbz n ASN 49 Ca -0.22 -2.01 -0.37 0.00 -0.03 0.00 0.00 54.58 51.94 2xbz n ASN 49 Cb 0.56 -0.14 -0.13 0.00 -0.61 0.00 0.00 39.78 39.46 2xbz n ASN 49 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2xbz s TRP 50 N -1.74 3.25 0.21 3.10 0.52 -1.26 -1.80 118.94 121.22 2xbz s TRP 50 Ca 0.12 -1.51 0.10 0.00 0.02 0.00 0.00 56.10 54.83 2xbz s TRP 50 Cb 0.06 -2.23 -0.05 0.00 -1.15 0.00 0.00 33.47 30.11 2xbz s TRP 50 CO 0.08 -0.74 -0.19 1.03 0.02 0.00 0.00 176.95 177.14 2xbz s ARG 51 N 1.37 1.47 0.02 4.98 1.81 -0.57 -1.52 118.95 126.50 2xbz s ARG 51 Ca -0.02 -1.58 0.03 0.00 -1.72 0.00 0.00 55.73 52.44 2xbz s ARG 51 Cb -0.19 -1.55 -0.01 0.00 -0.45 0.00 0.00 34.95 32.75 2xbz s ARG 51 CO 0.02 0.30 -0.11 -1.17 -0.68 0.00 0.00 175.30 173.66 2xbz s LEU 52 N -3.05 2.11 -0.09 2.53 2.96 0.16 -0.52 118.68 122.79 2xbz s LEU 52 Ca 0.23 -0.33 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2xbz s LEU 52 Cb -0.05 -0.47 0.02 0.00 0.50 0.00 0.00 46.19 46.19 2xbz s LEU 52 CO 0.10 0.04 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.86 2xbz s LEU 53 N -0.76 1.34 -0.21 -0.68 2.96 -0.18 -0.22 118.68 120.91 2xbz s LEU 53 Ca 0.01 -0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 53.48 2xbz s LEU 53 Cb -0.06 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 2xbz s LEU 53 CO 0.00 -0.06 0.46 -0.13 -1.32 0.00 0.00 176.35 175.30 2xbz s ARG 54 N 1.25 4.15 -0.66 1.98 0.52 -1.26 -0.67 118.95 124.26 2xbz s ARG 54 Ca -0.04 0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 55.41 2xbz s ARG 54 Cb -0.14 -3.57 0.17 0.00 0.52 0.00 0.00 34.95 31.93 2xbz s ARG 54 CO -0.03 -0.14 0.49 0.34 0.02 0.00 0.00 175.30 175.98 2xbz s ASP 55 N 1.20 5.45 0.62 0.23 2.15 0.15 -4.93 116.67 121.55 2xbz s ASP 55 Ca 0.21 -2.84 0.41 0.00 0.43 0.00 0.00 52.55 50.76 2xbz s ASP 55 Cb -0.15 -1.91 2.19 0.00 -0.30 0.00 0.00 42.92 42.75 2xbz s ASP 55 CO 0.09 -0.39 2.26 -0.33 -0.17 0.00 0.00 175.17 176.62 2xbz h GLU 56 N 7.12 0.00 0.00 4.34 5.08 -1.94 -1.14 114.58 128.04 2xbz h GLU 56 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2xbz h GLU 56 Cb 0.96 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 2xbz h GLU 56 CO 0.72 0.00 -0.99 0.66 -1.00 0.00 0.00 179.01 178.40 2xbz h SER 57 N 0.00 0.00 -0.02 1.42 4.64 -1.91 -3.39 113.55 114.29 2xbz h SER 57 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2xbz h SER 57 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2xbz h SER 57 CO 0.00 0.09 -0.01 0.00 -0.87 0.00 0.00 176.83 176.04 2xbz n ALA 58 N -2.21 -0.01 0.08 5.18 0.00 -0.52 -4.86 120.51 118.17 2xbz n ALA 58 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2xbz n ALA 58 Cb 0.59 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.32 0.62 -1.63 0.00 1.13 -1.26 -4.91 117.38 111.01 2xbz n GLN 59 Ca -0.00 0.10 -0.49 0.00 -1.94 0.00 0.00 57.00 54.66 2xbz n GLN 59 Cb 0.35 -1.79 -0.05 0.00 0.11 0.00 0.00 30.24 28.86 2xbz n GLN 59 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2xbz n LEU 60 N -2.67 2.30 -4.87 1.08 4.77 -1.26 -5.00 117.00 111.35 2xbz n LEU 60 Ca -0.03 1.10 -0.21 0.00 -0.03 0.00 0.00 56.01 56.85 2xbz n LEU 60 Cb 0.61 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 2xbz n LEU 60 CO 0.41 -0.71 -0.03 -0.13 -1.33 0.00 0.00 177.39 175.61 2xbz s ARG 61 N 0.69 2.59 0.25 3.23 0.52 -1.26 -4.96 118.95 120.02 2xbz s ARG 61 Ca 0.82 -1.45 -0.04 0.00 -0.52 0.00 0.00 55.73 54.54 2xbz s ARG 61 Cb -0.83 -2.41 0.45 0.00 0.52 0.00 0.00 34.95 32.69 2xbz s ARG 61 CO 0.43 -0.09 1.76 0.97 0.02 0.00 0.00 175.30 178.39 2xbz h ILE 62 N 1.11 0.74 -0.61 1.52 6.09 -1.99 0.13 117.51 124.51 2xbz h ILE 62 Ca -0.43 -0.19 0.09 0.00 -1.37 0.00 0.00 64.86 62.96 2xbz h ILE 62 Cb 1.26 0.13 -0.07 0.00 0.47 0.00 0.00 36.82 38.61 2xbz h ILE 62 CO 0.58 0.10 0.25 0.00 -3.07 0.00 0.00 178.15 176.01 2xbz h ALA 63 N 1.52 0.79 -0.40 0.18 0.00 -2.00 -1.40 119.26 117.94 2xbz h ALA 63 Ca 0.42 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2xbz h ALA 63 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2xbz h ALA 63 CO -0.35 -0.15 0.14 -0.44 0.00 0.00 0.00 179.25 178.45 2xbz h ASP 64 N 0.45 0.58 0.30 0.00 3.32 -1.48 -3.19 116.42 116.40 2xbz h ASP 64 Ca 0.30 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2xbz h ASP 64 Cb 0.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2xbz h ASP 64 CO -0.28 0.62 -0.35 0.58 -1.72 0.00 0.00 179.24 178.09 2xbz h VAL 65 N 0.51 1.27 0.00 -1.35 2.07 -0.52 -1.27 116.25 116.95 2xbz h VAL 65 Ca 0.13 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2xbz h VAL 65 Cb 0.24 1.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2xbz h VAL 65 CO -0.01 0.37 -0.06 -0.07 0.02 0.00 0.00 177.57 177.83 2xbz h LEU 66 N 0.07 0.00 -0.84 2.57 3.38 -1.26 -1.28 115.31 117.95 2xbz h LEU 66 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2xbz h LEU 66 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2xbz h LEU 66 CO 0.05 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.64 2xbz n GLN 67 N -3.86 1.55 -0.61 1.13 1.13 -0.48 -4.28 117.38 111.95 2xbz n GLN 67 Ca -0.03 -0.83 0.06 0.00 -1.94 0.00 0.00 57.00 54.26 2xbz n GLN 67 Cb 0.15 -1.36 0.11 0.00 0.11 0.00 0.00 30.24 29.25 2xbz n GLN 67 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2xbz n ARG 68 N 0.06 0.85 0.15 -1.09 1.74 -0.48 -4.87 116.66 113.01 2xbz n ARG 68 Ca 0.15 -2.36 0.14 0.00 -0.77 0.00 0.00 57.85 55.01 2xbz n ARG 68 Cb 0.26 -1.02 0.69 0.00 -1.02 0.00 0.00 32.46 31.36 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 0.51 0.00 -0.00 5.56 1.57 -1.74 -0.92 116.57 121.54 2xbz h LYS 69 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2xbz h LYS 69 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2xbz h LYS 69 CO 0.02 0.00 -0.00 -0.85 -0.57 0.00 0.00 179.45 178.05 2xbz n GLU 70 N -4.38 1.00 0.05 3.15 0.00 -1.26 -2.91 120.64 116.28 2xbz n GLU 70 Ca 0.03 -0.02 0.11 0.00 0.00 0.00 0.00 57.16 57.28 2xbz n GLU 70 Cb 0.33 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.24 2xbz n GLU 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2xbz n GLN 71 N -0.98 0.52 -2.06 3.44 6.02 -0.35 -4.85 117.38 119.11 2xbz n GLN 71 Ca 0.24 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.81 2xbz n GLN 71 Cb 0.12 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.66 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 -3.35 3.08 0.15 1.08 0.40 -1.15 -4.74 117.98 113.45 2xbz s PHE 72 Ca -0.01 0.76 0.06 0.00 -0.60 0.00 0.00 56.93 57.15 2xbz s PHE 72 Cb 0.12 -3.80 -0.04 0.00 0.51 0.00 0.00 43.02 39.81 2xbz s PHE 72 CO 0.82 -2.91 0.00 -0.98 0.70 0.00 0.00 175.22 172.85 2xbz s ARG 73 N 1.34 2.45 0.77 0.44 3.03 0.69 -4.76 118.95 122.91 2xbz s ARG 73 Ca 0.67 -1.01 -0.11 0.00 2.03 0.00 0.00 55.73 57.31 2xbz s ARG 73 Cb -0.39 -2.42 0.05 0.00 -1.03 0.00 0.00 34.95 31.16 2xbz s ARG 73 CO 0.31 0.48 1.08 -1.25 -1.13 0.00 0.00 175.30 174.79 2xbz s PRO 74 N -2.73 2.30 -0.09 3.89 0.04 -1.26 0.40 135.00 137.55 2xbz s PRO 74 Ca 0.27 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 2xbz s PRO 74 Cb -0.10 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2xbz s PRO 74 CO 0.18 -1.58 -0.05 -0.51 0.04 0.00 0.00 177.00 175.08 2xbz s LEU 75 N -5.86 3.25 0.25 -3.56 1.43 -0.58 -4.71 118.68 108.90 2xbz s LEU 75 Ca 0.61 -0.03 0.17 0.00 -1.03 0.00 0.00 54.13 53.85 2xbz s LEU 75 Cb -0.16 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.38 2xbz s LEU 75 CO 0.56 0.31 1.33 0.00 0.23 0.00 0.00 176.35 178.78 2xbz h ALA 76 N 5.63 0.70 -2.66 4.21 0.00 -1.94 -3.46 119.26 121.74 2xbz h ALA 76 Ca -0.44 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 2xbz h ALA 76 Cb 1.18 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 2xbz h ALA 76 CO 0.55 0.57 -0.18 -1.59 0.00 0.00 0.00 179.25 178.60 2xbz s LYS 77 N -3.01 0.97 -0.70 0.00 -2.85 -1.26 -5.07 119.74 107.83 2xbz s LYS 77 Ca 0.03 -0.76 -0.05 0.00 -1.00 0.00 0.00 55.97 54.19 2xbz s LYS 77 Cb 0.08 0.42 0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2xbz s LYS 77 CO 0.75 -0.36 2.77 0.54 0.10 0.00 0.00 175.35 179.16 2xbz n ARG 78 N -0.09 3.04 -3.84 1.78 1.74 -1.26 -4.80 116.66 113.23 2xbz n ARG 78 Ca -0.16 -2.50 -0.08 0.00 -0.77 0.00 0.00 57.85 54.34 2xbz n ARG 78 Cb 0.63 -2.29 -0.00 0.00 -1.02 0.00 0.00 32.46 29.77 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 0.63 -0.15 0.15 0.55 1.04 -1.26 -1.94 113.70 112.72 2xbz s SER 79 Ca 0.59 -0.82 -0.24 0.00 0.48 0.00 0.00 55.95 55.96 2xbz s SER 79 Cb 0.31 0.77 0.07 0.00 0.10 0.00 0.00 66.02 67.27 2xbz s SER 79 CO -0.15 -1.47 0.72 0.72 0.98 0.00 0.00 173.24 174.03 2xbz s PHE 80 N -3.22 -0.39 -0.19 5.02 -0.12 -0.59 -4.99 117.98 113.50 2xbz s PHE 80 Ca 0.13 0.13 -0.11 0.00 -0.05 0.00 0.00 56.93 57.04 2xbz s PHE 80 Cb -0.05 0.59 0.06 0.00 -0.63 0.00 0.00 43.02 42.99 2xbz s PHE 80 CO 0.09 -0.86 0.47 -1.50 -0.05 0.00 0.00 175.22 173.36 2xbz s ILE 81 N -3.61 -0.02 0.05 -4.49 1.10 -1.26 -2.27 121.20 110.71 2xbz s ILE 81 Ca 0.05 0.07 0.03 0.00 -0.51 0.00 0.00 60.65 60.29 2xbz s ILE 81 Cb -0.02 -0.69 -0.03 0.00 0.15 0.00 0.00 42.46 41.87 2xbz s ILE 81 CO -0.07 0.03 -0.10 -0.36 -2.11 0.00 0.00 174.94 172.34 2xbz s PHE 82 N 1.43 0.84 0.49 3.50 0.08 -0.28 -5.00 117.98 119.03 2xbz s PHE 82 Ca -0.09 -0.51 -0.23 0.00 0.12 0.00 0.00 56.93 56.21 2xbz s PHE 82 Cb -0.08 -0.49 -0.07 0.00 -0.57 0.00 0.00 43.02 41.82 2xbz s PHE 82 CO -0.14 -0.05 1.30 -2.30 -0.10 0.00 0.00 175.22 173.93 2xbz n PRO 83 N 1.32 1.79 -1.66 0.24 -0.02 -1.26 -1.95 135.00 133.46 2xbz n PRO 83 Ca -0.22 0.65 -0.49 0.00 -2.02 0.00 0.00 63.50 61.42 2xbz n PRO 83 Cb 0.55 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 2xbz n PRO 83 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2xbz n ALA 84 N -0.67 0.48 -3.76 3.55 0.00 -1.26 -4.51 120.51 114.34 2xbz n ALA 84 Ca 0.08 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 2xbz n ALA 84 Cb 0.42 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 1.79 -0.16 -0.09 0.00 1.04 -1.26 -4.91 113.70 110.12 2xbz s SER 85 Ca 0.86 -0.42 0.09 0.00 0.48 0.00 0.00 55.95 56.96 2xbz s SER 85 Cb -0.80 0.48 0.42 0.00 0.10 0.00 0.00 66.02 66.22 2xbz s SER 85 CO 0.46 -0.89 1.23 -0.81 0.98 0.00 0.00 173.24 174.21 2xbz n PRO 86 N -0.49 2.74 -1.10 4.02 -0.04 -1.26 -4.50 135.00 134.37 2xbz n PRO 86 Ca -0.06 -1.65 -0.32 0.00 -0.04 0.00 0.00 63.50 61.43 2xbz n PRO 86 Cb 0.61 -1.72 0.12 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.79 1.71 -0.12 0.54 -2.07 -1.26 -4.57 119.66 112.10 2xbz s GLN 87 Ca 0.29 1.53 -0.04 0.00 -1.82 0.00 0.00 55.36 55.31 2xbz s GLN 87 Cb 0.20 -1.81 -0.04 0.00 -1.09 0.00 0.00 33.01 30.28 2xbz s GLN 87 CO 0.12 -2.11 0.04 0.00 -1.32 0.00 0.00 175.29 172.03 2xbz s ALA 88 N -2.48 3.43 -0.08 2.60 0.00 -0.69 -4.49 121.76 120.05 2xbz s ALA 88 Ca 0.68 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.90 2xbz s ALA 88 Cb -0.23 -1.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 2xbz s ALA 88 CO 0.53 0.48 -0.12 0.08 0.00 0.00 0.00 175.76 176.72 2xbz s VAL 89 N -0.55 3.18 -0.11 0.00 1.01 -1.26 -0.67 120.40 121.99 2xbz s VAL 89 Ca 0.10 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.45 2xbz s VAL 89 Cb -0.12 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2xbz s VAL 89 CO 0.02 0.57 -0.19 0.26 0.00 0.00 0.00 175.10 175.76 2xbz s TRP 90 N -0.34 2.30 -0.14 5.22 0.52 0.15 -4.15 118.94 122.51 2xbz s TRP 90 Ca 0.03 -1.07 -0.05 0.00 0.02 0.00 0.00 56.10 55.03 2xbz s TRP 90 Cb -0.13 -1.59 -0.04 0.00 -1.15 0.00 0.00 33.47 30.56 2xbz s TRP 90 CO 0.02 -0.50 0.05 -1.17 0.02 0.00 0.00 176.95 175.38 2xbz s LEU 91 N 0.77 3.83 -0.13 2.99 2.96 0.13 -1.01 118.68 128.23 2xbz s LEU 91 Ca -0.10 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 2xbz s LEU 91 Cb -0.16 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.61 2xbz s LEU 91 CO 0.01 0.29 -0.22 -1.58 -1.32 0.00 0.00 176.35 173.53 2xbz s GLN 92 N -0.33 3.06 -0.25 1.98 0.74 0.32 -0.82 119.66 124.37 2xbz s GLN 92 Ca 0.08 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.66 2xbz s GLN 92 Cb -0.12 -2.41 0.04 0.00 1.10 0.00 0.00 33.01 31.62 2xbz s GLN 92 CO 0.02 0.06 -0.10 0.08 -0.55 0.00 0.00 175.29 174.79 2xbz s VAL 93 N 0.64 2.39 -0.28 1.34 1.01 0.64 -1.52 120.40 124.63 2xbz s VAL 93 Ca -0.11 -1.36 -0.16 0.00 0.00 0.00 0.00 61.98 60.35 2xbz s VAL 93 Cb -0.16 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2xbz s VAL 93 CO 0.02 0.11 0.41 -1.10 0.00 0.00 0.00 175.10 174.54 2xbz s GLN 94 N 1.20 3.96 0.02 2.72 -0.21 -0.74 -0.84 119.66 125.77 2xbz s GLN 94 Ca -0.04 0.05 0.06 0.00 0.02 0.00 0.00 55.36 55.45 2xbz s GLN 94 Cb -0.18 -3.68 -0.02 0.00 1.00 0.00 0.00 33.01 30.13 2xbz s GLN 94 CO -0.06 -0.34 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.07 2xbz s LEU 95 N 2.14 2.11 1.10 2.90 1.43 -1.26 -4.75 118.68 122.36 2xbz s LEU 95 Ca 0.16 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 2xbz s LEU 95 Cb -0.16 -0.93 0.24 0.00 0.03 0.00 0.00 46.19 45.37 2xbz s LEU 95 CO 0.10 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 2xbz s PRO 96 N -0.85 -0.40 0.36 1.29 0.04 -1.26 -4.51 135.00 129.65 2xbz s PRO 96 Ca 0.07 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.14 2xbz s PRO 96 Cb -0.08 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.68 2xbz s PRO 96 CO 0.01 -3.25 1.32 0.00 0.04 0.00 0.00 177.00 175.12 2xbz n ALA 97 N -4.50 1.48 -2.63 8.56 0.00 -1.23 -4.58 120.51 117.61 2xbz n ALA 97 Ca 0.08 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 2xbz n ALA 97 Cb 0.58 -2.28 -0.05 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 -1.95 3.71 -0.13 0.00 -1.52 -1.26 -4.94 119.66 113.56 2xbz s GLN 98 Ca 0.55 0.10 0.13 0.00 -1.95 0.00 0.00 55.36 54.19 2xbz s GLN 98 Cb -0.55 -3.02 -0.24 0.00 -0.22 0.00 0.00 33.01 28.98 2xbz s GLN 98 CO 0.62 0.59 0.33 1.63 -0.25 0.00 0.00 175.29 178.21 2xbz n LYS 99 N 0.96 0.67 -4.26 2.91 5.02 -1.26 -4.55 118.16 117.64 2xbz n LYS 99 Ca -0.09 0.15 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 2xbz n LYS 99 Cb 0.52 -1.65 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.54 0.96 0.25 -0.18 -7.23 -1.26 -5.06 120.40 105.34 2xbz s VAL 100 Ca -0.10 -2.02 -0.31 0.00 -1.81 0.00 0.00 61.98 57.74 2xbz s VAL 100 Cb 0.07 -2.03 -0.13 0.00 0.56 0.00 0.00 36.38 34.85 2xbz s VAL 100 CO 0.81 -0.58 1.54 -2.65 -0.31 0.00 0.00 175.10 173.91 2xbz n PRO 101 N -0.25 2.39 -4.10 4.82 -0.02 -1.26 -4.87 135.00 131.71 2xbz n PRO 101 Ca -0.08 0.85 -0.10 0.00 -2.02 0.00 0.00 63.50 62.16 2xbz n PRO 101 Cb 0.62 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.55 0.24 0.07 2.55 1.04 -1.26 -3.98 113.70 112.90 2xbz s SER 102 Ca 0.69 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 56.05 2xbz s SER 102 Cb -0.58 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 2xbz s SER 102 CO 0.46 -0.77 -0.14 0.26 0.98 0.00 0.00 173.24 174.02 2xbz s TRP 103 N -4.03 1.22 -0.13 5.02 0.51 0.72 -0.98 118.94 121.27 2xbz s TRP 103 Ca 0.23 -0.45 -0.24 0.00 -2.12 0.00 0.00 56.10 53.52 2xbz s TRP 103 Cb 0.06 -0.69 -0.03 0.00 -0.81 0.00 0.00 33.47 32.01 2xbz s TRP 103 CO 0.02 0.05 0.76 -1.17 -0.51 0.00 0.00 176.95 176.10 2xbz s LEU 104 N -1.67 4.23 -0.13 2.99 2.96 0.46 -1.53 118.68 126.00 2xbz s LEU 104 Ca -0.02 1.16 -0.01 0.00 -0.22 0.00 0.00 54.13 55.04 2xbz s LEU 104 Cb -0.10 -3.15 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 2xbz s LEU 104 CO 0.02 -0.27 -0.10 0.86 -1.32 0.00 0.00 176.35 175.55 2xbz s TRP 105 N 1.55 2.88 -0.03 5.38 -0.00 -0.18 -1.22 118.94 127.32 2xbz s TRP 105 Ca 0.37 -0.43 0.02 0.00 -0.00 0.00 0.00 56.10 56.06 2xbz s TRP 105 Cb -0.17 -1.85 0.01 0.00 -0.00 0.00 0.00 33.47 31.46 2xbz s TRP 105 CO 0.15 -0.07 -0.06 0.42 -0.00 0.00 0.00 176.95 177.39 2xbz s ILE 106 N 0.15 0.58 -0.22 5.86 1.01 -0.20 -1.52 121.20 126.85 2xbz s ILE 106 Ca -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2xbz s ILE 106 Cb -0.14 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.79 2xbz s ILE 106 CO 0.04 0.21 -0.10 0.12 0.00 0.00 0.00 174.94 175.20 2xbz s PHE 107 N 0.51 2.98 -0.44 3.97 5.36 0.11 -0.50 117.98 129.98 2xbz s PHE 107 Ca -0.07 -1.56 0.06 0.00 -0.96 0.00 0.00 56.93 54.39 2xbz s PHE 107 Cb -0.11 -2.01 0.19 0.00 -0.34 0.00 0.00 43.02 40.76 2xbz s PHE 107 CO 0.00 -0.74 0.51 0.00 -1.46 0.00 0.00 175.22 173.53 2xbz n ALA 108 N 4.65 1.27 -1.77 11.12 0.00 -0.77 -1.30 120.51 133.70 2xbz n ALA 108 Ca -0.18 -2.50 -0.40 0.00 0.00 0.00 0.00 53.44 50.36 2xbz n ALA 108 Cb 0.48 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 2xbz n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2xbz s PRO 109 N 0.10 4.19 -0.12 0.00 0.04 -1.26 -2.63 135.00 135.33 2xbz s PRO 109 Ca 0.33 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2xbz s PRO 109 Cb 0.07 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2xbz s PRO 109 CO -0.15 -0.30 0.00 0.54 0.04 0.00 0.00 177.00 177.13 2xbz n ARG 110 N 0.48 -1.50 -1.88 4.56 1.74 -1.26 -4.96 116.66 113.83 2xbz n ARG 110 Ca 0.02 0.43 -0.42 0.00 -0.77 0.00 0.00 57.85 57.11 2xbz n ARG 110 Cb 0.43 -4.58 -0.03 0.00 -1.02 0.00 0.00 32.46 27.26 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 -1.33 2.71 -0.06 1.55 1.01 -1.08 -4.66 120.40 118.54 2xbz s VAL 111 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 2xbz s VAL 111 Cb 0.00 -3.24 -0.26 0.00 0.00 0.00 0.00 36.38 32.88 2xbz s VAL 111 CO 0.00 0.01 0.62 1.56 0.00 0.00 0.00 175.10 177.29 2xbz h GLN 112 N 7.60 0.21 -3.87 2.72 1.08 -1.68 -1.11 115.11 120.07 2xbz h GLN 112 Ca -0.43 -0.36 -0.46 0.00 -1.45 0.00 0.00 58.65 55.94 2xbz h GLN 112 Cb 1.20 0.14 -0.38 0.00 -0.05 0.00 0.00 27.48 28.40 2xbz h GLN 112 CO 0.93 1.03 -0.78 0.71 -0.95 0.00 0.00 178.83 179.77 2xbz s TYR 113 N -2.59 0.91 -0.21 2.96 2.02 -1.12 -1.37 117.35 117.95 2xbz s TYR 113 Ca -0.14 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 2xbz s TYR 113 Cb 0.07 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.73 2xbz s TYR 113 CO 0.82 -0.37 -0.14 -1.17 -1.57 0.00 0.00 175.55 173.11 2xbz s LEU 114 N 1.83 2.63 -0.13 -1.29 0.20 -0.96 -1.47 118.68 119.50 2xbz s LEU 114 Ca 0.04 -0.79 0.01 0.00 0.69 0.00 0.00 54.13 54.08 2xbz s LEU 114 Cb -0.12 -1.55 -0.01 0.00 -0.43 0.00 0.00 46.19 44.08 2xbz s LEU 114 CO -0.06 -0.06 -0.16 -1.81 -0.29 0.00 0.00 176.35 173.97 2xbz s ASP 115 N 1.28 3.67 -0.10 3.68 1.01 0.64 -1.17 116.67 125.69 2xbz s ASP 115 Ca 0.02 -0.43 0.02 0.00 0.71 0.00 0.00 52.55 52.86 2xbz s ASP 115 Cb -0.15 -1.55 -0.01 0.00 1.01 0.00 0.00 42.92 42.22 2xbz s ASP 115 CO -0.09 0.13 -0.16 -0.47 0.21 0.00 0.00 175.17 174.79 2xbz s TYR 116 N 0.53 2.72 -0.00 4.23 5.04 -0.27 0.58 117.35 130.18 2xbz s TYR 116 Ca -0.11 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 2xbz s TYR 116 Cb -0.16 -1.76 0.00 0.00 0.35 0.00 0.00 41.96 40.39 2xbz s TYR 116 CO 0.04 -0.17 -0.01 0.71 -1.34 0.00 0.00 175.55 174.79 2xbz s TYR 117 N 0.09 0.10 -0.18 4.97 2.02 0.00 -1.37 117.35 122.98 2xbz s TYR 117 Ca -0.07 -0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.61 2xbz s TYR 117 Cb -0.15 -0.07 0.01 0.00 -0.40 0.00 0.00 41.96 41.35 2xbz s TYR 117 CO 0.05 -0.01 -0.16 -1.17 -1.57 0.00 0.00 175.55 172.69 2xbz s LEU 118 N 0.01 2.34 -0.12 -1.29 2.96 -0.74 -0.52 118.68 121.32 2xbz s LEU 118 Ca 0.00 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 2xbz s LEU 118 Cb -0.01 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.12 2xbz s LEU 118 CO -0.00 0.01 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.23 2xbz s VAL 119 N 1.26 3.17 -0.26 1.68 1.01 0.83 -1.08 120.40 127.01 2xbz s VAL 119 Ca 0.04 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 2xbz s VAL 119 Cb -0.14 -2.32 0.07 0.00 0.00 0.00 0.00 36.38 34.00 2xbz s VAL 119 CO -0.09 0.53 0.65 -1.10 0.00 0.00 0.00 175.10 175.10 2xbz s GLN 120 N 0.17 0.69 -0.46 2.72 -0.21 0.55 -1.21 119.66 121.90 2xbz s GLN 120 Ca -0.07 1.11 -0.13 0.00 0.02 0.00 0.00 55.36 56.30 2xbz s GLN 120 Cb -0.15 0.17 0.09 0.00 1.00 0.00 0.00 33.01 34.12 2xbz s GLN 120 CO 0.05 -0.14 0.36 -0.51 -2.12 0.00 0.00 175.29 172.93 2xbz s ASP 121 N 1.34 5.95 0.00 5.90 -0.00 -1.26 -2.71 116.67 125.89 2xbz s ASP 121 Ca -0.08 -1.49 0.00 0.00 -0.00 0.00 0.00 52.55 50.98 2xbz s ASP 121 Cb -0.05 -2.11 0.00 0.00 -0.00 0.00 0.00 42.92 40.76 2xbz s ASP 121 CO -0.15 -0.64 0.00 0.61 -0.00 0.00 0.00 175.17 174.99 2xbz n GLY 122 N 5.09 2.29 3.50 0.21 0.00 -1.26 -5.02 105.19 110.00 2xbz n GLY 122 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2xbz n GLY 122 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2xbz s GLN 123 N -0.17 1.77 -0.31 1.61 -2.07 -1.10 -5.10 119.66 114.29 2xbz s GLN 123 Ca 0.00 -1.65 -0.22 0.00 -1.82 0.00 0.00 55.36 51.67 2xbz s GLN 123 Cb 0.00 -1.86 -0.00 0.00 -1.09 0.00 0.00 33.01 30.05 2xbz s GLN 123 CO 0.00 0.35 0.72 -1.17 -1.32 0.00 0.00 175.29 173.87 2xbz s LEU 124 N -3.36 4.12 -0.25 2.60 2.96 -1.26 -0.33 118.68 123.16 2xbz s LEU 124 Ca 0.28 0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 54.61 2xbz s LEU 124 Cb -0.06 -2.95 -0.16 0.00 0.50 0.00 0.00 46.19 43.52 2xbz s LEU 124 CO 0.15 -0.57 -0.17 0.55 -1.32 0.00 0.00 176.35 174.99 2xbz n VAL 125 N 5.50 1.54 -4.64 1.68 3.14 -0.24 -4.97 118.33 120.36 2xbz n VAL 125 Ca 0.01 -0.41 -0.25 0.00 -2.96 0.00 0.00 64.34 60.74 2xbz n VAL 125 Cb 0.48 -1.77 -0.14 0.00 -1.06 0.00 0.00 33.84 31.36 2xbz n VAL 125 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2xbz s ARG 126 N -2.49 1.36 -0.04 1.45 0.52 -1.22 -5.02 118.95 113.51 2xbz s ARG 126 Ca -0.35 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 53.94 2xbz s ARG 126 Cb 0.11 -1.45 0.03 0.00 0.52 0.00 0.00 34.95 34.16 2xbz s ARG 126 CO 0.56 0.37 0.08 0.16 0.02 0.00 0.00 175.30 176.49 2xbz s ASP 127 N -1.12 0.12 0.04 0.23 -4.77 -1.26 -1.80 116.67 108.11 2xbz s ASP 127 Ca 0.07 0.14 0.05 0.00 -3.30 0.00 0.00 52.55 49.51 2xbz s ASP 127 Cb -0.09 0.02 -0.02 0.00 -1.09 0.00 0.00 42.92 41.74 2xbz s ASP 127 CO 0.02 -0.15 -0.14 -1.10 0.70 0.00 0.00 175.17 174.50 2xbz s GLN 128 N 1.25 0.91 -0.19 2.11 -0.21 -0.47 -5.01 119.66 118.04 2xbz s GLN 128 Ca -0.07 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.51 2xbz s GLN 128 Cb -0.12 -0.91 0.05 0.00 1.00 0.00 0.00 33.01 33.03 2xbz s GLN 128 CO -0.04 0.22 -0.01 -1.01 -2.12 0.00 0.00 175.29 172.33 2xbz s HIS 129 N -0.92 1.59 0.00 0.91 3.76 -1.26 -1.11 115.29 118.25 2xbz s HIS 129 Ca 0.01 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.77 2xbz s HIS 129 Cb -0.08 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.36 2xbz s HIS 129 CO 0.01 -0.65 0.00 -2.37 -0.85 0.00 0.00 174.74 170.88 2xbz n THR 130 N 4.90 0.00 0.00 1.30 5.66 -0.31 -5.01 114.28 120.81 2xbz n THR 130 Ca -0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2xbz n THR 130 Cb 0.46 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 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 0.41 2.28 0.00 1.09 0.00 -1.26 -2.25 105.19 105.45 2xbz n GLY 131 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2xbz n GLY 131 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xbz n GLU 132 N 1.81 0.00 0.00 1.61 1.02 -0.42 -4.87 120.64 119.79 2xbz n GLU 132 Ca 0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2xbz n GLU 132 Cb 0.00 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 2xbz n GLU 132 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2xbz n SER 133 N -1.14 0.00 -0.23 1.62 2.88 -0.47 -4.99 113.62 111.28 2xbz n SER 133 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2xbz n SER 133 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2xbz n SER 133 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2xbz n PRO 140 N 0.00 -0.09 -3.74 -1.46 -0.05 -1.26 -4.95 135.00 123.44 2xbz n PRO 140 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 63.50 63.17 2xbz n PRO 140 Cb 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 33.50 33.29 2xbz n PRO 140 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 2xbz s LEU 141 N -0.28 1.47 0.00 1.53 2.01 -1.26 -5.05 118.68 117.11 2xbz s LEU 141 Ca 0.00 -1.03 0.12 0.00 0.01 0.00 0.00 54.13 53.22 2xbz s LEU 141 Cb 0.00 -0.68 0.39 0.00 0.01 0.00 0.00 46.19 45.91 2xbz s LEU 141 CO 0.00 -0.33 1.30 -0.81 1.01 0.00 0.00 176.35 177.53 2xbz n PRO 142 N 4.99 1.70 -4.09 1.29 -0.04 -1.26 -4.87 135.00 132.72 2xbz n PRO 142 Ca -0.08 -1.07 -0.27 0.00 -0.04 0.00 0.00 63.50 62.04 2xbz n PRO 142 Cb 0.46 -1.27 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 2xbz n PRO 142 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2xbz s SER 143 N -1.13 5.42 -0.01 3.54 1.04 -1.26 -5.01 113.70 116.29 2xbz s SER 143 Ca 0.23 -0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.55 2xbz s SER 143 Cb 0.12 -1.39 0.03 0.00 0.10 0.00 0.00 66.02 64.87 2xbz s SER 143 CO 0.17 0.10 0.78 0.54 0.98 0.00 0.00 173.24 175.80 2xbz n ARG 144 N -0.11 0.67 -3.94 4.02 1.74 -1.26 -5.00 116.66 112.78 2xbz n ARG 144 Ca -0.09 -1.01 -0.26 0.00 -0.77 0.00 0.00 57.85 55.72 2xbz n ARG 144 Cb 0.54 -0.69 -0.03 0.00 -1.02 0.00 0.00 32.46 31.26 2xbz n ARG 144 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2xbz s SER 145 N -0.71 6.34 -0.04 0.55 0.01 -1.26 -1.85 113.70 116.74 2xbz s SER 145 Ca 0.03 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2xbz s SER 145 Cb 0.03 -1.91 0.02 0.00 0.21 0.00 0.00 66.02 64.37 2xbz s SER 145 CO 0.00 0.06 -0.02 -0.31 0.41 0.00 0.00 173.24 173.38 2xbz s TYR 146 N -1.73 0.55 -0.06 2.43 2.02 0.35 -4.99 117.35 115.92 2xbz s TYR 146 Ca 0.35 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.97 2xbz s TYR 146 Cb -0.11 -0.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.86 2xbz s TYR 146 CO 0.28 -0.18 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.44 2xbz s LEU 147 N 1.08 2.74 -0.15 -1.29 1.02 -1.26 -1.04 118.68 119.78 2xbz s LEU 147 Ca -0.09 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 53.86 2xbz s LEU 147 Cb -0.14 -1.56 0.02 0.00 0.02 0.00 0.00 46.19 44.53 2xbz s LEU 147 CO -0.01 0.32 -0.15 -0.36 0.02 0.00 0.00 176.35 176.17 2xbz s PHE 148 N -0.60 2.21 0.41 0.29 0.08 -0.36 -4.96 117.98 115.04 2xbz s PHE 148 Ca 0.09 -1.24 -0.25 0.00 0.12 0.00 0.00 56.93 55.65 2xbz s PHE 148 Cb -0.11 -1.61 -0.08 0.00 -0.57 0.00 0.00 43.02 40.64 2xbz s PHE 148 CO 0.01 -0.67 1.15 -1.54 -0.10 0.00 0.00 175.22 174.07 2xbz s SER 149 N 1.43 6.53 -0.15 1.36 1.04 -1.26 -0.40 113.70 122.24 2xbz s SER 149 Ca 0.04 2.29 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 2xbz s SER 149 Cb -0.13 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.36 2xbz s SER 149 CO -0.10 -0.67 -0.05 -0.76 0.98 0.00 0.00 173.24 172.64 2xbz s LEU 150 N -2.57 3.20 0.34 2.42 1.43 -0.16 -4.89 118.68 118.46 2xbz s LEU 150 Ca 0.58 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 2xbz s LEU 150 Cb -0.29 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 2xbz s LEU 150 CO 0.36 0.18 1.09 -2.16 0.23 0.00 0.00 176.35 176.05 2xbz s PRO 151 N 0.32 4.37 -0.53 1.29 0.04 -1.26 -4.31 135.00 134.92 2xbz s PRO 151 Ca -0.04 1.69 -0.15 0.00 0.04 0.00 0.00 61.00 62.53 2xbz s PRO 151 Cb -0.14 -2.86 0.12 0.00 0.04 0.00 0.00 34.50 31.66 2xbz s PRO 151 CO 0.03 -0.00 0.48 0.08 0.04 0.00 0.00 177.00 177.63 2xbz s VAL 152 N -1.39 5.12 0.00 -0.36 1.01 -1.26 -4.56 120.40 118.95 2xbz s VAL 152 Ca 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 61.00 2xbz s VAL 152 Cb -0.28 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2xbz s VAL 152 CO 0.35 -0.84 0.92 -0.90 0.00 0.00 0.00 175.10 174.63 2xbz n ASP 153 N 5.21 0.00 -1.25 3.32 5.75 -1.26 -5.01 116.55 123.32 2xbz n ASP 153 Ca -0.13 -1.84 -0.15 0.00 -0.01 0.00 0.00 54.79 52.65 2xbz n ASP 153 Cb 0.40 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.27 2xbz n ASP 153 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2xbz n GLY 154 N 0.00 1.32 3.19 6.12 0.00 -1.26 -5.02 105.19 109.54 2xbz n GLY 154 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.49 1.07 0.00 1.61 1.02 -1.26 -4.86 119.74 113.82 2xbz s LYS 155 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 2xbz s LYS 155 Cb 0.00 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.18 2xbz s LYS 155 CO 0.00 0.28 0.00 -0.35 -0.92 0.00 0.00 175.35 174.36 2xbz n PRO 156 N 1.76 -0.74 -4.26 -1.68 -0.04 -1.26 -3.52 135.00 125.26 2xbz n PRO 156 Ca -0.18 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.08 2xbz n PRO 156 Cb 0.54 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.84 2xbz n PRO 156 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2xbz s THR 158 N -0.78 0.64 -0.12 0.52 2.01 -0.35 -4.82 115.64 112.74 2xbz s THR 158 Ca 0.00 -0.22 -0.06 0.00 0.31 0.00 0.00 61.69 61.72 2xbz s THR 158 Cb 0.00 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 2xbz s THR 158 CO 0.00 0.23 0.09 -0.76 -0.69 0.00 0.00 174.62 173.49 2xbz s LEU 159 N 0.62 4.09 -0.06 4.42 1.43 -0.02 -0.12 118.68 129.04 2xbz s LEU 159 Ca -0.09 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 2xbz s LEU 159 Cb -0.12 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2xbz s LEU 159 CO 0.01 0.37 -0.18 -0.31 0.23 0.00 0.00 176.35 176.47 2xbz s TYR 160 N -0.81 1.90 -0.10 0.29 1.51 0.33 -0.26 117.35 120.21 2xbz s TYR 160 Ca 0.13 -0.65 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2xbz s TYR 160 Cb -0.12 -1.30 0.02 0.00 -0.11 0.00 0.00 41.96 40.45 2xbz s TYR 160 CO 0.03 -0.26 -0.13 0.08 -1.11 0.00 0.00 175.55 174.16 2xbz s VAL 161 N 0.26 1.36 0.54 0.71 1.01 0.00 -0.82 120.40 123.46 2xbz s VAL 161 Ca -0.10 -0.55 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2xbz s VAL 161 Cb -0.14 -1.26 0.06 0.00 0.00 0.00 0.00 36.38 35.03 2xbz s VAL 161 CO 0.04 0.41 0.61 -0.60 0.00 0.00 0.00 175.10 175.57 2xbz s ARG 162 N 1.07 2.34 0.00 2.72 3.52 0.20 -0.69 118.95 128.11 2xbz s ARG 162 Ca -0.06 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 53.81 2xbz s ARG 162 Cb -0.15 -2.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2xbz s ARG 162 CO -0.02 -0.69 0.00 2.41 -0.81 0.00 0.00 175.30 176.19 2xbz n THR 164 N -2.00 0.00 -3.53 4.11 -1.04 -0.54 -0.26 114.28 111.02 2xbz n THR 164 Ca 0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.96 2xbz n THR 164 Cb 0.62 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.08 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 -0.49 0.00 8.00 0.15 -1.26 -1.64 113.70 118.45 2xbz s SER 165 Ca 0.00 0.45 0.23 0.00 0.70 0.00 0.00 55.95 57.32 2xbz s SER 165 Cb 0.00 0.42 0.96 0.00 -1.71 0.00 0.00 66.02 65.70 2xbz s SER 165 CO 0.00 -0.52 1.67 0.59 1.20 0.00 0.00 173.24 176.18 2xbz n ASN 166 N 0.60 1.22 -4.73 5.45 3.02 -1.26 -4.16 115.26 115.40 2xbz n ASN 166 Ca -0.14 -1.56 -0.29 0.00 -0.03 0.00 0.00 54.58 52.56 2xbz n ASN 166 Cb 0.59 -0.06 -0.08 0.00 -0.61 0.00 0.00 39.78 39.62 2xbz n ASN 166 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2xbz s HIS 167 N -1.89 2.22 0.03 3.10 3.76 -1.26 -4.77 115.29 116.48 2xbz s HIS 167 Ca 0.34 -0.77 -0.35 0.00 -0.15 0.00 0.00 55.06 54.13 2xbz s HIS 167 Cb 0.18 -1.78 -0.14 0.00 1.11 0.00 0.00 32.58 31.95 2xbz s HIS 167 CO 0.28 0.21 1.64 -2.30 -0.85 0.00 0.00 174.74 173.72 2xbz n PRO 168 N -1.22 1.87 -2.65 8.40 -0.02 -1.26 -4.32 135.00 135.79 2xbz n PRO 168 Ca -0.08 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 2xbz n PRO 168 Cb 0.66 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 2xbz n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2xbz s LEU 169 N 2.06 3.79 0.00 2.45 1.43 -0.82 -4.88 118.68 122.71 2xbz s LEU 169 Ca 0.86 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 2xbz s LEU 169 Cb -0.78 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.00 2xbz s LEU 169 CO 0.47 -0.46 0.00 0.00 0.23 0.00 0.00 176.35 176.59 2xbz n ALA 171 N -1.11 0.00 -2.42 4.21 0.00 -0.96 -1.13 120.51 119.10 2xbz n ALA 171 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.22 2xbz n ALA 171 Cb 0.54 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.79 2.12 0.01 0.00 0.51 -0.42 -1.55 118.94 117.83 2xbz s TRP 172 Ca 0.00 -0.40 -0.12 0.00 -2.12 0.00 0.00 56.10 53.47 2xbz s TRP 172 Cb 0.00 -1.22 0.01 0.00 -0.81 0.00 0.00 33.47 31.45 2xbz s TRP 172 CO 0.00 0.19 0.25 -0.59 -0.51 0.00 0.00 176.95 176.28 2xbz s PHE 173 N -0.92 -0.07 0.08 -1.98 -0.12 -0.82 0.07 117.98 114.22 2xbz s PHE 173 Ca 0.11 0.01 -0.19 0.00 -0.05 0.00 0.00 56.93 56.81 2xbz s PHE 173 Cb -0.10 0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.37 2xbz s PHE 173 CO 0.03 -0.40 0.45 -0.51 -0.05 0.00 0.00 175.22 174.75 2xbz s ASP 174 N -1.63 -0.33 -0.16 1.98 -0.00 -0.57 -4.77 116.67 111.18 2xbz s ASP 174 Ca -0.11 -0.07 -0.15 0.00 -0.00 0.00 0.00 52.55 52.22 2xbz s ASP 174 Cb -0.04 0.47 -0.04 0.00 -0.00 0.00 0.00 42.92 43.31 2xbz s ASP 174 CO 0.01 -0.77 0.37 -1.58 -0.00 0.00 0.00 175.17 173.20 2xbz s GLN 175 N -3.04 4.25 0.09 8.23 0.74 -1.26 -1.01 119.66 127.67 2xbz s GLN 175 Ca -0.02 0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.68 2xbz s GLN 175 Cb 0.00 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.61 2xbz s GLN 175 CO -0.06 0.13 -0.21 0.96 -0.55 0.00 0.00 175.29 175.56 2xbz s ILE 176 N 0.78 1.68 0.18 -2.34 -4.36 -0.58 -1.49 121.20 115.08 2xbz s ILE 176 Ca 0.19 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 2xbz s ILE 176 Cb -0.14 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.04 2xbz s ILE 176 CO 0.07 -0.03 0.06 -0.90 0.24 0.00 0.00 174.94 174.38 2xbz n ASP 177 N 1.20 1.17 0.21 4.36 5.68 0.16 -0.20 116.55 129.13 2xbz n ASP 177 Ca -0.19 -1.95 0.15 0.00 -0.50 0.00 0.00 54.79 52.29 2xbz n ASP 177 Cb 0.54 0.43 0.71 0.00 -1.14 0.00 0.00 41.12 41.66 2xbz n ASP 177 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2xbz h GLU 178 N 0.00 0.00 -0.04 0.11 5.08 -1.97 0.10 114.58 117.86 2xbz h GLU 178 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2xbz h GLU 178 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2xbz h GLU 178 CO 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 2xbz n ALA 179 N -1.89 2.48 0.00 3.43 0.00 -1.26 -5.07 120.51 118.21 2xbz n ALA 179 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2xbz n ALA 179 Cb 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2xbz n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xbz n GLY 180 N 1.32 0.20 3.67 0.00 0.00 0.35 -5.02 105.19 105.72 2xbz n GLY 180 Ca 0.15 -1.96 -0.45 0.00 0.00 0.00 0.00 46.02 43.76 2xbz n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xbz n LEU 181 N 0.00 3.77 -4.64 0.99 4.77 -1.26 0.38 117.00 121.01 2xbz n LEU 181 Ca 0.00 0.95 -0.43 0.00 -0.03 0.00 0.00 56.01 56.50 2xbz n LEU 181 Cb 0.00 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.61 2xbz n LEU 181 CO 0.00 0.06 1.71 0.52 -1.33 0.00 0.00 177.39 178.35 2xbz n VAL 182 N 5.21 0.60 0.00 4.08 0.31 -0.55 -0.77 118.33 127.22 2xbz n VAL 182 Ca 0.21 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 2xbz n VAL 182 Cb 0.35 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 30.86 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 5.04 2.10 3.77 2.92 0.00 -1.26 -4.97 105.19 112.80 2xbz n GLY 183 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2xbz n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36