#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz s VAL 5 N 0.00 4.34 0.05 0.44 1.01 -1.26 -5.03 120.40 119.94 1ocz s VAL 5 Ca 0.00 1.64 -0.15 0.00 0.00 0.00 0.00 61.98 63.47 1ocz s VAL 5 Cb 0.00 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1ocz s VAL 5 CO 0.00 -0.06 0.46 -0.69 0.00 0.00 0.00 175.10 174.81 1ocz s VAL 6 N 2.70 4.96 0.03 2.92 1.01 -1.26 -5.09 120.40 125.66 1ocz s VAL 6 Ca 0.54 0.84 0.08 0.00 0.00 0.00 0.00 61.98 63.44 1ocz s VAL 6 Cb -0.22 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1ocz s VAL 6 CO 0.18 0.47 -0.24 -0.54 0.00 0.00 0.00 175.10 174.97 1ocz s LYS 7 N -1.36 1.72 0.23 2.72 1.02 -1.26 -5.04 119.74 117.77 1ocz s LYS 7 Ca 0.28 -0.99 -0.06 0.00 0.02 0.00 0.00 55.97 55.22 1ocz s LYS 7 Cb -0.16 -1.82 0.38 0.00 -0.52 0.00 0.00 37.83 35.71 1ocz s LYS 7 CO 0.16 0.48 1.73 0.77 -0.92 0.00 0.00 175.35 177.57 1ocz h SER 8 N 5.02 0.25 0.13 2.83 0.02 -2.05 0.59 113.55 120.34 1ocz h SER 8 Ca -0.44 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1ocz h SER 8 Cb 1.14 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1ocz h SER 8 CO 0.45 0.12 0.00 -0.62 -1.14 0.00 0.00 176.83 175.63 1ocz n GLU 9 N -5.00 0.06 -0.12 3.45 4.71 -1.26 -2.12 120.64 120.36 1ocz n GLU 9 Ca 0.12 0.28 0.02 0.00 -0.01 0.00 0.00 57.16 57.57 1ocz n GLU 9 Cb 0.35 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.35 1ocz n GLU 9 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ocz n ASP 10 N -1.34 1.25 0.16 1.62 8.00 0.20 -4.30 116.55 122.13 1ocz n ASP 10 Ca 0.02 -2.07 0.10 0.00 0.71 0.00 0.00 54.79 53.55 1ocz n ASP 10 Cb 0.05 -0.27 0.55 0.00 -0.02 0.00 0.00 41.12 41.43 1ocz n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ocz n TYR 11 N 0.01 0.68 0.68 1.24 0.18 -0.90 -1.34 117.16 117.71 1ocz n TYR 11 Ca 0.05 0.36 0.08 0.00 1.88 0.00 0.00 57.90 60.26 1ocz n TYR 11 Cb 0.25 -1.06 0.01 0.00 -0.38 0.00 0.00 39.34 38.16 1ocz n TYR 11 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1ocz n ALA 12 N -1.75 2.98 -2.73 -3.48 0.00 -1.26 -4.98 120.51 109.29 1ocz n ALA 12 Ca -0.01 -0.55 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 1ocz n ALA 12 Cb 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 1ocz n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ocz s LEU 13 N -1.83 4.36 0.50 0.00 1.43 -0.45 -5.04 118.68 117.66 1ocz s LEU 13 Ca 0.14 0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 53.63 1ocz s LEU 13 Cb 0.13 -2.76 -0.09 0.00 0.03 0.00 0.00 46.19 43.50 1ocz s LEU 13 CO 0.34 0.23 0.84 -2.65 0.23 0.00 0.00 176.35 175.34 1ocz n PRO 14 N 1.03 0.95 -4.53 1.29 -0.02 -1.26 -4.99 135.00 127.47 1ocz n PRO 14 Ca -0.10 0.35 -0.26 0.00 -2.02 0.00 0.00 63.50 61.47 1ocz n PRO 14 Cb 0.53 -1.94 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 1ocz n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1ocz s SER 15 N -1.00 2.85 0.05 2.55 1.04 -1.26 -4.87 113.70 113.05 1ocz s SER 15 Ca 0.68 -1.64 -0.01 0.00 0.48 0.00 0.00 55.95 55.47 1ocz s SER 15 Cb -0.50 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1ocz s SER 15 CO 0.54 -0.89 0.20 -0.47 0.98 0.00 0.00 173.24 173.60 1ocz s TYR 16 N -3.19 3.52 -0.29 5.02 5.04 -1.26 -3.30 117.35 122.88 1ocz s TYR 16 Ca 0.24 0.27 -0.13 0.00 -2.44 0.00 0.00 57.07 55.00 1ocz s TYR 16 Cb 0.03 -1.77 0.13 0.00 0.35 0.00 0.00 41.96 40.70 1ocz s TYR 16 CO 0.14 0.60 0.79 0.54 -1.34 0.00 0.00 175.55 176.28 1ocz s VAL 17 N -1.47 -0.53 -0.31 3.14 0.11 -1.26 -5.05 120.40 115.03 1ocz s VAL 17 Ca 0.33 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 1ocz s VAL 17 Cb -0.13 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1ocz s VAL 17 CO 0.26 0.00 0.71 -1.81 -3.33 0.00 0.00 175.10 170.93 1ocz s ASP 18 N 2.31 6.57 -0.30 3.54 1.01 -1.26 -4.63 116.67 123.91 1ocz s ASP 18 Ca -0.06 0.51 -0.14 0.00 0.71 0.00 0.00 52.55 53.57 1ocz s ASP 18 Cb -0.08 -2.37 0.16 0.00 1.01 0.00 0.00 42.92 41.65 1ocz s ASP 18 CO -0.18 -0.57 0.94 0.00 0.21 0.00 0.00 175.17 175.57 1ocz s ARG 19 N 2.81 0.33 0.25 8.23 1.70 -1.26 -5.06 118.95 125.95 1ocz s ARG 19 Ca 0.29 0.79 0.18 0.00 -0.47 0.00 0.00 55.73 56.52 1ocz s ARG 19 Cb -0.14 0.47 0.87 0.00 -0.57 0.00 0.00 34.95 35.58 1ocz s ARG 19 CO 0.13 -0.14 0.93 0.54 -1.08 0.00 0.00 175.30 175.68 1ocz n ARG 20 N 5.09 -0.02 -0.32 3.89 1.74 -1.26 -0.30 116.66 125.47 1ocz n ARG 20 Ca -0.09 0.76 0.07 0.00 -0.77 0.00 0.00 57.85 57.83 1ocz n ARG 20 Cb 0.52 -1.47 0.23 0.00 -1.02 0.00 0.00 32.46 30.72 1ocz n ARG 20 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ocz n ASP 21 N -3.97 2.96 -2.97 0.55 5.75 -1.26 -4.12 116.55 113.49 1ocz n ASP 21 Ca 0.24 -2.12 -0.15 0.00 -0.01 0.00 0.00 54.79 52.75 1ocz n ASP 21 Cb 0.90 -0.39 0.01 0.00 -1.03 0.00 0.00 41.12 40.61 1ocz n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ocz n TYR 22 N 0.86 -1.57 -0.30 2.11 9.36 0.59 -5.02 117.16 123.20 1ocz n TYR 22 Ca 0.17 -2.84 0.09 0.00 3.32 0.00 0.00 57.90 58.65 1ocz n TYR 22 Cb 0.51 0.59 0.32 0.00 -0.63 0.00 0.00 39.34 40.13 1ocz n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1ocz h PRO 23 N 3.47 0.80 -3.83 2.98 0.13 -1.71 -3.35 132.00 130.49 1ocz h PRO 23 Ca -0.02 -0.05 -0.70 0.00 -0.87 0.00 0.00 66.00 64.36 1ocz h PRO 23 Cb 1.00 -0.18 -0.34 0.00 0.13 0.00 0.00 31.00 31.60 1ocz h PRO 23 CO 0.35 0.53 -0.37 -0.51 -0.23 0.00 0.00 178.00 177.77 1ocz s LEU 24 N -9.95 5.37 1.16 1.56 1.43 -1.26 -4.95 118.68 112.03 1ocz s LEU 24 Ca -0.11 -2.62 -0.14 0.00 -1.03 0.00 0.00 54.13 50.23 1ocz s LEU 24 Cb 0.22 -1.88 0.25 0.00 0.03 0.00 0.00 46.19 44.80 1ocz s LEU 24 CO 0.79 -0.44 0.82 -0.81 0.23 0.00 0.00 176.35 176.95 1ocz n PRO 25 N 3.83 -2.23 0.22 1.29 -0.04 -1.26 -4.94 135.00 131.88 1ocz n PRO 25 Ca 0.05 -0.62 0.14 0.00 -0.04 0.00 0.00 63.50 63.03 1ocz n PRO 25 Cb 0.39 -2.08 0.41 0.00 -0.04 0.00 0.00 33.50 32.18 1ocz n PRO 25 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ocz h ASP 26 N -2.54 0.00 -4.61 3.54 3.32 -1.94 -3.46 116.42 110.73 1ocz h ASP 26 Ca -0.59 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.17 1ocz h ASP 26 Cb 1.34 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.69 1ocz h ASP 26 CO 0.47 0.00 -0.73 -0.69 -1.72 0.00 0.00 179.24 176.56 1ocz s VAL 27 N -3.37 0.73 0.17 -1.35 1.01 -1.21 -4.88 120.40 111.49 1ocz s VAL 27 Ca 0.05 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1ocz s VAL 27 Cb 0.08 -1.05 -0.08 0.00 0.00 0.00 0.00 36.38 35.33 1ocz s VAL 27 CO 0.59 -0.50 1.16 0.00 0.00 0.00 0.00 175.10 176.35 1ocz s ALA 28 N -2.06 3.41 0.25 5.51 0.00 -1.26 -4.66 121.76 122.94 1ocz s ALA 28 Ca -0.01 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.81 1ocz s ALA 28 Cb -0.05 -3.40 0.46 0.00 0.00 0.00 0.00 23.12 20.14 1ocz s ALA 28 CO -0.00 -0.32 1.77 1.25 0.00 0.00 0.00 175.76 178.46 1ocz h HIS 29 N 5.38 0.74 -3.38 0.00 2.76 -0.91 -3.37 115.15 116.36 1ocz h HIS 29 Ca -0.44 0.03 -0.67 0.00 -2.20 0.00 0.00 60.37 57.10 1ocz h HIS 29 Cb 1.21 -0.21 -0.31 0.00 1.55 0.00 0.00 27.41 29.66 1ocz h HIS 29 CO 0.63 0.21 -0.76 0.08 -1.30 0.00 0.00 177.93 176.79 1ocz s VAL 30 N -6.00 2.89 -0.13 5.26 1.01 -0.43 -1.28 120.40 121.71 1ocz s VAL 30 Ca -0.12 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1ocz s VAL 30 Cb 0.20 -2.37 -0.25 0.00 0.00 0.00 0.00 36.38 33.96 1ocz s VAL 30 CO 0.78 0.35 0.32 1.17 0.00 0.00 0.00 175.10 177.71 1ocz n LYS 31 N 4.71 0.75 -3.37 2.72 3.00 -1.26 -4.89 118.16 119.81 1ocz n LYS 31 Ca -0.18 0.27 -0.38 0.00 -0.00 0.00 0.00 58.31 58.02 1ocz n LYS 31 Cb 0.49 -1.70 -0.07 0.00 0.00 0.00 0.00 35.03 33.75 1ocz n LYS 31 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1ocz s ASN 32 N -7.00 6.48 -0.01 3.14 0.01 -1.26 -5.08 114.94 111.22 1ocz s ASN 32 Ca -0.24 0.57 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 1ocz s ASN 32 Cb 0.07 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.45 1ocz s ASN 32 CO 0.75 -0.07 0.03 -0.76 -1.51 0.00 0.00 177.10 175.54 1ocz s LEU 33 N 1.22 3.65 0.65 0.60 1.43 -1.26 -5.09 118.68 119.88 1ocz s LEU 33 Ca 0.20 0.06 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1ocz s LEU 33 Cb -0.15 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1ocz s LEU 33 CO 0.08 0.29 0.97 -0.94 0.23 0.00 0.00 176.35 176.98 1ocz s SER 34 N -1.54 5.29 0.16 2.29 1.04 -1.26 -4.81 113.70 114.88 1ocz s SER 34 Ca 0.20 0.69 -0.20 0.00 0.48 0.00 0.00 55.95 57.12 1ocz s SER 34 Cb -0.12 -1.53 0.07 0.00 0.10 0.00 0.00 66.02 64.55 1ocz s SER 34 CO 0.10 -1.29 1.64 0.00 0.98 0.00 0.00 173.24 174.67 1ocz h ALA 35 N -0.40 0.05 -0.27 5.32 0.00 -1.99 0.21 119.26 122.18 1ocz h ALA 35 Ca -0.45 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1ocz h ALA 35 Cb 1.28 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1ocz h ALA 35 CO 0.61 -0.58 0.19 0.66 0.00 0.00 0.00 179.25 180.13 1ocz h SER 36 N -0.14 0.13 -0.02 0.00 4.64 -1.98 0.88 113.55 117.05 1ocz h SER 36 Ca 0.17 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1ocz h SER 36 Cb 0.41 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1ocz h SER 36 CO -0.43 0.09 -0.32 1.56 -0.87 0.00 0.00 176.83 176.86 1ocz h GLN 37 N 0.15 0.25 -0.67 4.77 4.20 -1.22 0.51 115.11 123.10 1ocz h GLN 37 Ca 0.12 -0.24 0.12 0.00 0.06 0.00 0.00 58.65 58.71 1ocz h GLN 37 Cb 0.29 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1ocz h GLN 37 CO -0.02 0.94 0.45 0.87 -0.67 0.00 0.00 178.83 180.40 1ocz h LYS 38 N -0.35 0.41 -0.07 1.46 1.57 0.14 0.33 116.57 120.06 1ocz h LYS 38 Ca -0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1ocz h LYS 38 Cb 1.03 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1ocz h LYS 38 CO 0.06 0.27 -0.03 0.00 -0.57 0.00 0.00 179.45 179.18 1ocz h ALA 39 N 1.67 0.10 -1.00 3.86 0.00 -0.58 -1.58 119.26 121.72 1ocz h ALA 39 Ca 0.32 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ocz h ALA 39 Cb 0.67 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1ocz h ALA 39 CO -0.10 -0.16 0.65 1.25 0.00 0.00 0.00 179.25 180.89 1ocz h LEU 40 N -0.23 1.03 -1.45 0.00 6.46 0.13 0.11 115.31 121.36 1ocz h LEU 40 Ca 0.02 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 1ocz h LEU 40 Cb 0.46 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1ocz h LEU 40 CO 0.01 0.65 0.26 0.11 -0.62 0.00 0.00 178.44 178.85 1ocz h LYS 41 N 1.17 0.63 -0.05 1.25 1.79 -0.24 -2.13 116.57 118.98 1ocz h LYS 41 Ca 0.44 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.83 1ocz h LYS 41 Cb 0.18 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1ocz h LYS 41 CO -0.18 0.46 -0.05 0.93 -1.08 0.00 0.00 179.45 179.53 1ocz h GLU 42 N 0.64 0.13 -0.70 3.15 4.39 0.18 -3.04 114.58 119.34 1ocz h GLU 42 Ca 0.17 -0.07 0.19 0.00 0.34 0.00 0.00 59.36 59.99 1ocz h GLU 42 Cb 0.01 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1ocz h GLU 42 CO -0.03 0.58 0.50 0.87 -1.16 0.00 0.00 179.01 179.76 1ocz h LYS 43 N -0.32 0.05 0.00 2.33 1.57 -0.74 -0.43 116.57 119.04 1ocz h LYS 43 Ca 0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ocz h LYS 43 Cb 0.55 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ocz h LYS 43 CO 0.01 0.04 -0.07 1.49 -0.57 0.00 0.00 179.45 180.35 1ocz h GLU 44 N 0.05 0.00 0.00 3.15 4.81 -1.28 -0.47 114.58 120.84 1ocz h GLU 44 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1ocz h GLU 44 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ocz h GLU 44 CO -0.02 0.07 0.00 0.87 -0.73 0.00 0.00 179.01 179.20 1ocz h LYS 45 N 0.00 0.00 0.00 1.92 1.57 -1.15 -3.45 116.57 115.46 1ocz h LYS 45 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1ocz h LYS 45 Cb 0.30 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.66 1ocz h LYS 45 CO 0.01 0.00 0.11 0.00 -0.57 0.00 0.00 179.45 178.99 1ocz n ALA 46 N -2.05 -0.34 -2.03 3.86 0.00 -0.19 -5.00 120.51 114.76 1ocz n ALA 46 Ca 0.03 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1ocz n ALA 46 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1ocz n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ocz s SER 47 N -2.41 6.75 0.51 0.00 0.15 -1.26 -4.90 113.70 112.54 1ocz s SER 47 Ca 0.22 2.47 0.29 0.00 0.70 0.00 0.00 55.95 59.64 1ocz s SER 47 Cb -0.01 -2.60 1.31 0.00 -1.71 0.00 0.00 66.02 63.02 1ocz s SER 47 CO 0.15 -0.68 1.98 -0.50 1.20 0.00 0.00 173.24 175.39 1ocz h TRP 48 N 6.21 0.00 0.00 3.44 6.55 -1.88 -2.23 115.95 128.03 1ocz h TRP 48 Ca -0.43 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.39 1ocz h TRP 48 Cb 1.21 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.51 1ocz h TRP 48 CO 0.64 0.12 -0.05 0.77 -1.05 0.00 0.00 178.44 178.86 1ocz h SER 49 N 0.00 0.00 -0.13 -3.49 0.02 -1.99 -1.23 113.55 106.73 1ocz h SER 49 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ocz h SER 49 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ocz h SER 49 CO 0.02 0.05 0.00 -1.20 -1.14 0.00 0.00 176.83 174.56 1ocz n SER 50 N -4.43 0.86 -4.93 3.07 7.64 -0.84 -4.88 113.62 110.11 1ocz n SER 50 Ca -0.03 -1.79 -0.26 0.00 1.01 0.00 0.00 58.87 57.81 1ocz n SER 50 Cb 0.13 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.23 1ocz n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ocz s LEU 51 N -1.28 4.07 0.23 -3.43 1.43 -0.46 -5.06 118.68 114.17 1ocz s LEU 51 Ca 0.20 0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 53.75 1ocz s LEU 51 Cb 0.10 -3.35 -0.06 0.00 0.03 0.00 0.00 46.19 42.91 1ocz s LEU 51 CO 0.16 -0.22 0.51 -0.94 0.23 0.00 0.00 176.35 176.09 1ocz s SER 52 N -3.60 6.55 0.20 2.29 1.04 -1.26 -4.93 113.70 113.99 1ocz s SER 52 Ca 0.41 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.51 1ocz s SER 52 Cb -0.10 -2.17 0.25 0.00 0.10 0.00 0.00 66.02 64.10 1ocz s SER 52 CO 0.33 -0.08 1.69 0.40 0.98 0.00 0.00 173.24 176.56 1ocz h ILE 53 N 1.83 0.60 -0.67 -1.02 2.04 -1.98 0.17 117.51 118.48 1ocz h ILE 53 Ca -0.47 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1ocz h ILE 53 Cb 1.17 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1ocz h ILE 53 CO 0.69 0.03 0.39 0.44 0.00 0.00 0.00 178.15 179.70 1ocz h ASP 54 N 0.17 0.81 -0.52 1.72 3.32 -1.98 0.16 116.42 120.09 1ocz h ASP 54 Ca 0.29 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 1ocz h ASP 54 Cb 0.44 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1ocz h ASP 54 CO -0.43 0.63 0.08 -0.33 -1.72 0.00 0.00 179.24 177.47 1ocz h GLU 55 N 0.93 0.91 -0.54 3.56 5.08 -1.19 0.32 114.58 123.65 1ocz h GLU 55 Ca 0.24 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1ocz h GLU 55 Cb -0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1ocz h GLU 55 CO -0.04 0.86 -0.06 0.87 -1.00 0.00 0.00 179.01 179.63 1ocz h LYS 56 N 0.86 0.97 -0.07 2.33 1.57 0.12 0.36 116.57 122.72 1ocz h LYS 56 Ca 0.18 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1ocz h LYS 56 Cb 0.40 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1ocz h LYS 56 CO 0.01 1.00 -0.11 0.28 -0.57 0.00 0.00 179.45 180.05 1ocz h VAL 57 N 0.88 1.41 -1.01 0.50 2.07 -0.28 -0.94 116.25 118.88 1ocz h VAL 57 Ca 0.15 -1.39 0.05 0.00 0.82 0.00 0.00 66.70 66.34 1ocz h VAL 57 Cb 0.60 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.48 1ocz h VAL 57 CO 0.04 0.38 0.65 -0.08 0.02 0.00 0.00 177.57 178.59 1ocz h GLU 58 N -0.29 1.19 -0.14 1.57 4.81 -0.18 0.25 114.58 121.79 1ocz h GLU 58 Ca 0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ocz h GLU 58 Cb 0.68 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ocz h GLU 58 CO 0.03 0.78 0.06 1.25 -0.73 0.00 0.00 179.01 180.40 1ocz h LEU 59 N 1.22 0.09 0.77 1.64 5.85 -0.10 -2.33 115.31 122.44 1ocz h LEU 59 Ca 0.42 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 59.11 1ocz h LEU 59 Cb 0.09 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1ocz h LEU 59 CO -0.15 0.07 -0.49 0.22 -0.34 0.00 0.00 178.44 177.75 1ocz h TYR 60 N 0.14 -1.32 0.00 1.25 3.20 0.61 -2.48 116.97 118.37 1ocz h TYR 60 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ocz h TYR 60 Cb 0.02 0.48 0.00 0.00 1.54 0.00 0.00 36.73 38.77 1ocz h TYR 60 CO -0.10 -0.73 0.14 0.54 -1.64 0.00 0.00 178.16 176.38 1ocz n ARG 61 N -5.62 0.00 0.06 1.82 5.12 0.63 -0.81 116.66 117.86 1ocz n ARG 61 Ca -0.15 0.35 -0.22 0.00 -1.93 0.00 0.00 57.85 55.90 1ocz n ARG 61 Cb 0.50 -1.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.01 1ocz n ARG 61 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1ocz h LEU 62 N 0.00 0.57 0.01 0.55 5.85 -0.93 -3.40 115.31 117.95 1ocz h LEU 62 Ca 0.00 -0.91 -0.04 0.00 0.84 0.00 0.00 57.88 57.77 1ocz h LEU 62 Cb 0.29 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1ocz h LEU 62 CO 0.00 1.68 -0.14 0.50 -0.34 0.00 0.00 178.44 180.14 1ocz h LYS 63 N -0.07 0.08 -6.11 1.25 1.63 -0.95 -1.14 116.57 111.27 1ocz h LYS 63 Ca -0.30 -0.10 -0.57 0.00 -0.85 0.00 0.00 60.65 58.84 1ocz h LYS 63 Cb 1.95 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 33.52 1ocz h LYS 63 CO 0.15 0.91 -0.61 -0.06 -3.45 0.00 0.00 179.45 176.39 1ocz s PHE 64 N -2.87 2.62 -0.26 1.91 0.08 -0.82 -0.60 117.98 118.04 1ocz s PHE 64 Ca -0.17 -0.35 -0.14 0.00 0.12 0.00 0.00 56.93 56.39 1ocz s PHE 64 Cb -0.01 -1.41 -0.14 0.00 -0.57 0.00 0.00 43.02 40.89 1ocz s PHE 64 CO 0.72 0.50 -0.24 1.17 -0.10 0.00 0.00 175.22 177.26 1ocz n LYS 65 N -0.97 0.59 -4.50 0.44 4.81 -1.26 -4.44 118.16 112.83 1ocz n LYS 65 Ca -0.05 0.31 -0.24 0.00 -0.87 0.00 0.00 58.31 57.46 1ocz n LYS 65 Cb 0.61 -1.54 -0.13 0.00 0.02 0.00 0.00 35.03 33.98 1ocz n LYS 65 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1ocz s GLU 66 N -2.49 1.25 0.63 1.64 2.02 -1.26 -5.07 118.70 115.43 1ocz s GLU 66 Ca -0.37 -0.99 -0.09 0.00 0.02 0.00 0.00 54.97 53.54 1ocz s GLU 66 Cb 0.13 -1.41 -0.00 0.00 0.10 0.00 0.00 34.13 32.95 1ocz s GLU 66 CO 0.52 0.35 0.99 -1.54 0.02 0.00 0.00 175.26 175.59 1ocz s SER 67 N -1.41 5.70 0.46 -0.19 1.04 -1.26 -4.83 113.70 113.21 1ocz s SER 67 Ca 0.06 1.01 0.15 0.00 0.48 0.00 0.00 55.95 57.65 1ocz s SER 67 Cb -0.09 -1.97 1.10 0.00 0.10 0.00 0.00 66.02 65.16 1ocz s SER 67 CO 0.02 -1.09 2.00 -0.26 0.98 0.00 0.00 173.24 174.90 1ocz h PHE 68 N -0.34 0.33 -0.31 5.02 -1.00 -2.00 -0.33 116.94 118.30 1ocz h PHE 68 Ca -0.45 0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.30 1ocz h PHE 68 Cb 1.24 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.67 1ocz h PHE 68 CO 0.52 0.16 0.01 0.00 -1.61 0.00 0.00 178.31 177.40 1ocz h ALA 69 N 1.73 1.45 0.04 2.45 0.00 -1.96 0.56 119.26 123.54 1ocz h ALA 69 Ca 0.24 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ocz h ALA 69 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ocz h ALA 69 CO -0.06 0.39 -0.38 0.93 0.00 0.00 0.00 179.25 180.14 1ocz h GLU 70 N 0.45 0.09 0.00 0.00 5.08 -1.49 -3.11 114.58 115.60 1ocz h GLU 70 Ca 0.10 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1ocz h GLU 70 Cb 0.28 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ocz h GLU 70 CO 0.01 1.08 -0.13 0.00 -1.00 0.00 0.00 179.01 178.96 1ocz h MET 71 N -0.80 0.00 -0.24 2.33 -0.00 -1.02 -1.20 114.93 114.00 1ocz h MET 71 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1ocz h MET 71 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.83 1ocz h MET 71 CO 0.03 0.13 0.00 0.09 -0.00 0.00 0.00 176.91 177.16 1ocz n ASN 72 N -4.06 2.05 -4.70 -0.10 4.13 0.18 -4.93 115.26 107.83 1ocz n ASN 72 Ca -0.02 -1.81 -0.42 0.00 1.68 0.00 0.00 54.58 54.01 1ocz n ASN 72 Cb 0.21 -0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 38.27 1ocz n ASN 72 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 1ocz s ARG 73 N -1.69 4.22 0.29 3.52 3.52 -0.45 -5.00 118.95 123.36 1ocz s ARG 73 Ca 0.32 2.31 -0.22 0.00 -0.13 0.00 0.00 55.73 58.02 1ocz s ARG 73 Cb 0.18 -3.38 -0.09 0.00 -1.56 0.00 0.00 34.95 30.09 1ocz s ARG 73 CO 0.26 -0.65 0.84 -1.54 -0.81 0.00 0.00 175.30 173.40 1ocz s SER 74 N 1.76 7.14 0.44 -2.12 1.04 -1.26 -5.07 113.70 115.62 1ocz s SER 74 Ca 0.71 1.61 0.07 0.00 0.48 0.00 0.00 55.95 58.82 1ocz s SER 74 Cb -0.41 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.20 1ocz s SER 74 CO 0.31 -0.07 0.36 0.42 0.98 0.00 0.00 173.24 175.25 1ocz s THR 75 N -1.67 2.41 -0.81 2.02 -4.23 -1.26 -5.01 115.64 107.09 1ocz s THR 75 Ca 0.49 -1.41 0.08 0.00 -1.18 0.00 0.00 61.69 59.67 1ocz s THR 75 Cb -0.16 -2.82 0.43 0.00 1.34 0.00 0.00 72.50 71.29 1ocz s THR 75 CO 0.21 0.00 1.19 0.59 -0.54 0.00 0.00 174.62 176.07 1ocz n ASN 76 N -1.56 3.33 -0.05 3.99 3.02 -1.26 -4.57 115.26 118.16 1ocz n ASN 76 Ca 0.02 -2.42 -0.08 0.00 -0.03 0.00 0.00 54.58 52.06 1ocz n ASN 76 Cb 0.63 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 1ocz n ASN 76 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1ocz h GLU 77 N 2.17 0.15 -1.33 3.52 4.81 -2.02 -3.02 114.58 118.86 1ocz h GLU 77 Ca 0.00 -0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.63 1ocz h GLU 77 Cb 1.18 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.42 1ocz h GLU 77 CO 0.23 0.10 0.89 0.11 -0.73 0.00 0.00 179.01 179.61 1ocz h TRP 78 N 0.16 0.41 -0.06 0.92 5.08 -1.99 0.30 115.95 120.76 1ocz h TRP 78 Ca 0.10 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.09 1ocz h TRP 78 Cb 0.09 -0.11 -0.00 0.00 -3.00 0.00 0.00 29.16 26.14 1ocz h TRP 78 CO -0.14 -0.10 0.03 0.87 -1.28 0.00 0.00 178.44 177.82 1ocz h LYS 79 N 0.12 0.09 -0.66 0.12 1.57 -1.90 0.44 116.57 116.36 1ocz h LYS 79 Ca 0.76 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.51 1ocz h LYS 79 Cb 2.49 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 34.75 1ocz h LYS 79 CO -0.29 0.21 0.35 1.15 -0.57 0.00 0.00 179.45 180.30 1ocz h THR 80 N -0.04 1.21 0.53 -0.16 2.02 -0.58 0.85 112.91 116.73 1ocz h THR 80 Ca 0.02 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 1ocz h THR 80 Cb 0.15 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1ocz h THR 80 CO -0.00 0.23 -0.28 0.58 0.37 0.00 0.00 175.52 176.42 1ocz h VAL 81 N 0.90 0.42 -0.42 3.16 2.07 -1.27 0.96 116.25 122.07 1ocz h VAL 81 Ca 0.23 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.70 1ocz h VAL 81 Cb 0.06 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ocz h VAL 81 CO -0.04 0.00 0.08 0.58 0.02 0.00 0.00 177.57 178.21 1ocz h VAL 82 N -0.75 1.24 0.02 2.57 2.07 -0.82 -1.55 116.25 119.03 1ocz h VAL 82 Ca -0.07 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1ocz h VAL 82 Cb 0.60 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ocz h VAL 82 CO 0.09 0.30 -0.01 1.23 0.02 0.00 0.00 177.57 179.20 1ocz h GLY 83 N 0.54 -0.03 2.00 2.17 0.00 -0.81 -1.70 103.07 105.23 1ocz h GLY 83 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1ocz h GLY 83 CO 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 176.54 176.44 1ocz h ALA 84 N 0.72 1.85 -0.13 3.60 0.00 -0.80 -1.05 119.26 123.45 1ocz h ALA 84 Ca -0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ocz h ALA 84 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ocz h ALA 84 CO 0.01 0.11 -0.29 0.00 0.00 0.00 0.00 179.25 179.08 1ocz h ALA 85 N 1.91 0.21 -0.58 0.00 0.00 -1.18 -2.89 119.26 116.74 1ocz h ALA 85 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1ocz h ALA 85 Cb 0.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1ocz h ALA 85 CO 0.01 0.23 0.24 0.52 0.00 0.00 0.00 179.25 180.25 1ocz h MET 86 N 0.02 0.83 -0.09 0.00 2.07 -0.73 -0.63 114.93 116.41 1ocz h MET 86 Ca 0.00 -0.12 -0.00 0.00 -2.07 0.00 0.00 59.70 57.51 1ocz h MET 86 Cb 0.89 -0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.46 1ocz h MET 86 CO 0.06 0.67 0.05 0.35 1.07 0.00 0.00 176.91 179.11 1ocz h PHE 87 N 0.82 0.12 -0.21 -0.22 3.57 -1.22 0.11 116.94 119.91 1ocz h PHE 87 Ca 0.20 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1ocz h PHE 87 Cb 0.14 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1ocz h PHE 87 CO 0.01 0.14 -0.28 0.74 -2.23 0.00 0.00 178.31 176.68 1ocz h PHE 88 N 0.06 0.46 0.00 0.41 0.04 -1.25 0.18 116.94 116.84 1ocz h PHE 88 Ca 0.03 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 1ocz h PHE 88 Cb 0.06 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1ocz h PHE 88 CO -0.05 0.65 -0.40 0.82 -0.60 0.00 0.00 178.31 178.73 1ocz h ILE 89 N 0.36 1.23 -0.02 -0.55 2.04 -0.94 -2.14 117.51 117.48 1ocz h ILE 89 Ca 0.05 -1.40 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1ocz h ILE 89 Cb 0.68 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1ocz h ILE 89 CO 0.05 0.39 -0.03 1.23 0.00 0.00 0.00 178.15 179.79 1ocz h GLY 90 N 1.29 0.07 0.88 5.37 0.00 0.11 -3.04 103.07 107.75 1ocz h GLY 90 Ca -0.00 -0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.37 1ocz h GLY 90 CO 0.05 0.07 0.44 -2.75 0.00 0.00 0.00 176.54 174.36 1ocz h PHE 91 N -0.44 0.39 -0.82 5.60 3.57 -0.62 -0.08 116.94 124.55 1ocz h PHE 91 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 1ocz h PHE 91 Cb 0.57 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1ocz h PHE 91 CO 0.11 0.17 0.54 1.15 -2.23 0.00 0.00 178.31 178.04 1ocz h THR 92 N 0.35 1.05 0.00 4.41 2.02 -1.27 0.36 112.91 119.84 1ocz h THR 92 Ca 0.31 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1ocz h THR 92 Cb 0.74 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1ocz h THR 92 CO -0.08 0.17 -0.10 0.00 0.37 0.00 0.00 175.52 175.87 1ocz h ALA 93 N 1.55 1.62 -0.24 6.16 0.00 -1.00 -2.09 119.26 125.26 1ocz h ALA 93 Ca 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ocz h ALA 93 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ocz h ALA 93 CO -0.12 0.13 0.12 -0.07 0.00 0.00 0.00 179.25 179.31 1ocz h LEU 94 N 0.00 0.30 -0.61 0.00 3.38 -0.96 -1.10 115.31 116.33 1ocz h LEU 94 Ca -0.00 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.93 1ocz h LEU 94 Cb 0.21 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1ocz h LEU 94 CO 0.01 0.32 0.31 -0.07 0.09 0.00 0.00 178.44 179.09 1ocz h LEU 95 N 0.27 0.42 -1.24 1.67 3.38 -1.36 -0.86 115.31 117.58 1ocz h LEU 95 Ca 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ocz h LEU 95 Cb 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1ocz h LEU 95 CO -0.01 0.27 0.31 -0.07 0.09 0.00 0.00 178.44 179.03 1ocz h LEU 96 N 0.56 0.75 -0.19 1.67 3.38 -1.17 -0.64 115.31 119.67 1ocz h LEU 96 Ca 0.28 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1ocz h LEU 96 Cb 0.23 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ocz h LEU 96 CO -0.21 0.62 -0.12 0.40 0.09 0.00 0.00 178.44 179.22 1ocz h ILE 97 N 0.84 1.32 -0.58 1.22 2.04 -0.39 -2.08 117.51 119.87 1ocz h ILE 97 Ca 0.21 -1.21 0.07 0.00 1.00 0.00 0.00 64.86 64.94 1ocz h ILE 97 Cb 0.05 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 37.78 1ocz h ILE 97 CO -0.03 0.36 0.26 -0.25 0.00 0.00 0.00 178.15 178.49 1ocz h TRP 98 N 0.08 0.46 -0.67 1.37 7.01 -0.43 -0.69 115.95 123.08 1ocz h TRP 98 Ca 0.04 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 1ocz h TRP 98 Cb 0.62 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.53 1ocz h TRP 98 CO 0.07 0.17 0.25 1.49 -2.79 0.00 0.00 178.44 177.63 1ocz h GLU 99 N 0.47 1.01 -0.22 2.65 4.81 -1.12 0.79 114.58 122.96 1ocz h GLU 99 Ca 0.28 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1ocz h GLU 99 Cb 0.28 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1ocz h GLU 99 CO -0.24 0.85 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.64 1ocz h LYS 100 N 0.95 0.04 -0.19 1.92 1.63 -0.47 0.25 116.57 120.69 1ocz h LYS 100 Ca 0.22 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.95 1ocz h LYS 100 Cb 0.23 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1ocz h LYS 100 CO -0.02 0.02 -0.15 1.25 -3.45 0.00 0.00 179.45 177.11 1ocz h HIS 101 N 0.04 0.51 0.00 1.91 2.76 -0.98 -3.27 115.15 116.12 1ocz h HIS 101 Ca 0.11 -0.15 -0.39 0.00 -2.20 0.00 0.00 60.37 57.74 1ocz h HIS 101 Cb 0.15 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 28.93 1ocz h HIS 101 CO -0.21 0.78 -2.47 0.66 -1.30 0.00 0.00 177.93 175.39 1ocz n TYR 102 N -4.51 0.02 0.02 5.26 4.01 0.25 -4.76 117.16 117.45 1ocz n TYR 102 Ca -0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.47 1ocz n TYR 102 Cb 0.37 -1.00 -0.14 0.00 -0.31 0.00 0.00 39.34 38.25 1ocz n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ocz h VAL 103 N 0.00 0.69 -3.33 -0.72 2.07 -0.79 -3.47 116.25 110.70 1ocz h VAL 103 Ca -0.58 -2.38 -0.56 0.00 0.82 0.00 0.00 66.70 64.00 1ocz h VAL 103 Cb 1.92 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 34.21 1ocz h VAL 103 CO -0.08 0.89 0.33 -0.31 0.02 0.00 0.00 177.57 178.42 1ocz s TYR 104 N -2.56 3.52 0.90 1.57 2.02 0.44 -5.02 117.35 118.21 1ocz s TYR 104 Ca -0.21 1.38 -0.15 0.00 -0.37 0.00 0.00 57.07 57.72 1ocz s TYR 104 Cb 0.06 -3.00 0.21 0.00 -0.40 0.00 0.00 41.96 38.84 1ocz s TYR 104 CO 0.79 -0.11 1.09 0.41 -1.57 0.00 0.00 175.55 176.16 1ocz n GLY 105 N 3.22 -1.81 3.77 0.71 0.00 -1.26 -4.79 105.19 105.04 1ocz n GLY 105 Ca 0.04 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 1ocz n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ocz s PRO 106 N -5.40 3.86 0.70 1.61 0.04 -1.26 -5.02 135.00 129.53 1ocz s PRO 106 Ca 0.64 1.71 -0.11 0.00 0.04 0.00 0.00 61.00 63.28 1ocz s PRO 106 Cb -0.03 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 32.08 1ocz s PRO 106 CO 0.46 -0.45 1.06 0.96 0.04 0.00 0.00 177.00 179.07 1ocz s ILE 107 N -1.58 4.00 0.42 0.56 -0.00 -1.26 -4.97 121.20 118.38 1ocz s ILE 107 Ca 0.62 0.65 -0.23 0.00 -0.00 0.00 0.00 60.65 61.69 1ocz s ILE 107 Cb -0.27 -3.42 -0.12 0.00 -0.00 0.00 0.00 42.46 38.66 1ocz s ILE 107 CO 0.33 -0.85 0.73 -0.81 -0.00 0.00 0.00 174.94 174.34 1ocz n PRO 108 N -3.12 0.85 0.07 0.37 -0.04 -1.26 -4.83 135.00 127.03 1ocz n PRO 108 Ca 0.07 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.89 1ocz n PRO 108 Cb 0.54 -1.72 0.27 0.00 -0.04 0.00 0.00 33.50 32.55 1ocz n PRO 108 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ocz n HIS 109 N -0.75 0.33 1.28 0.54 1.44 -1.26 -1.89 115.22 114.90 1ocz n HIS 109 Ca 0.11 0.17 0.08 0.00 -2.01 0.00 0.00 57.72 56.06 1ocz n HIS 109 Cb 0.39 -0.77 0.46 0.00 0.12 0.00 0.00 29.99 30.20 1ocz n HIS 109 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1ocz n THR 110 N -1.83 0.00 0.93 0.61 -2.24 -1.26 -2.76 114.28 107.73 1ocz n THR 110 Ca -0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 1ocz n THR 110 Cb 0.03 -0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 67.62 1ocz n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1ocz n PHE 111 N -0.88 0.00 -1.70 4.78 3.72 -0.79 -4.42 117.46 118.16 1ocz n PHE 111 Ca 0.12 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 1ocz n PHE 111 Cb 0.05 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1ocz n PHE 111 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ocz n GLU 112 N -1.08 1.72 -0.29 -1.08 1.02 -1.11 -4.79 120.64 115.03 1ocz n GLU 112 Ca 0.05 0.62 -0.02 0.00 -0.02 0.00 0.00 57.16 57.79 1ocz n GLU 112 Cb 0.34 -2.42 0.04 0.00 -0.02 0.00 0.00 31.44 29.38 1ocz n GLU 112 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ocz h GLU 113 N 1.66 -0.07 -0.63 3.49 5.08 -1.93 -2.20 114.58 119.98 1ocz h GLU 113 Ca -0.49 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1ocz h GLU 113 Cb 1.31 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 1ocz h GLU 113 CO 0.58 -0.05 0.35 1.49 -1.00 0.00 0.00 179.01 180.39 1ocz h GLU 114 N -0.07 0.87 -0.68 2.33 4.81 -1.98 -1.84 114.58 118.02 1ocz h GLU 114 Ca 0.31 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1ocz h GLU 114 Cb 0.58 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1ocz h GLU 114 CO -0.83 0.65 0.42 2.35 -0.73 0.00 0.00 179.01 180.87 1ocz h TRP 115 N 0.86 0.79 -0.16 0.92 2.91 -1.74 0.17 115.95 119.70 1ocz h TRP 115 Ca 0.22 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.17 1ocz h TRP 115 Cb 0.02 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.40 1ocz h TRP 115 CO -0.01 0.45 -0.32 -0.39 -1.03 0.00 0.00 178.44 177.13 1ocz h VAL 116 N 0.83 1.28 -0.09 2.65 -1.51 -1.14 0.66 116.25 118.92 1ocz h VAL 116 Ca 0.28 -1.34 -0.02 0.00 -1.23 0.00 0.00 66.70 64.38 1ocz h VAL 116 Cb 0.03 1.52 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1ocz h VAL 116 CO -0.11 0.41 -0.04 0.00 -1.23 0.00 0.00 177.57 176.60 1ocz h ALA 117 N 1.38 0.12 0.28 5.19 0.00 -0.62 0.41 119.26 126.02 1ocz h ALA 117 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ocz h ALA 117 Cb 0.71 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ocz h ALA 117 CO 0.05 -0.12 -0.13 0.87 0.00 0.00 0.00 179.25 179.92 1ocz h LYS 118 N -0.18 -0.36 -0.93 0.00 1.79 -0.54 -1.78 116.57 114.56 1ocz h LYS 118 Ca 0.02 0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1ocz h LYS 118 Cb 0.48 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 31.15 1ocz h LYS 118 CO 0.01 -0.23 0.60 0.37 -1.08 0.00 0.00 179.45 179.13 1ocz h GLN 119 N -0.39 0.99 -0.32 3.15 4.15 0.39 -0.02 115.11 123.06 1ocz h GLN 119 Ca -0.04 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 1ocz h GLN 119 Cb 0.30 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 1ocz h GLN 119 CO 0.06 0.65 -0.25 1.15 -1.93 0.00 0.00 178.83 178.52 1ocz h THR 120 N 1.02 1.27 -0.20 2.39 2.02 0.08 0.64 112.91 120.13 1ocz h THR 120 Ca 0.42 -1.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1ocz h THR 120 Cb 0.28 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1ocz h THR 120 CO -0.17 0.43 0.05 0.50 0.37 0.00 0.00 175.52 176.69 1ocz h LYS 121 N 0.55 0.33 -0.13 6.66 1.63 -0.31 -0.63 116.57 124.66 1ocz h LYS 121 Ca 0.08 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ocz h LYS 121 Cb 0.72 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.30 1ocz h LYS 121 CO 0.06 0.46 0.07 -0.09 -3.45 0.00 0.00 179.45 176.49 1ocz h ARG 122 N 0.14 0.14 -0.81 1.90 2.43 -0.44 0.28 114.38 118.03 1ocz h ARG 122 Ca 0.06 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1ocz h ARG 122 Cb 0.28 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 1ocz h ARG 122 CO 0.00 0.10 0.50 0.52 -1.51 0.00 0.00 179.97 179.57 1ocz h MET 123 N 0.15 0.89 0.00 0.20 2.86 -0.81 0.18 114.93 118.40 1ocz h MET 123 Ca 0.05 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 1ocz h MET 123 Cb -0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1ocz h MET 123 CO -0.02 0.59 -0.25 -0.07 1.06 0.00 0.00 176.91 178.21 1ocz h LEU 124 N 0.92 0.00 -0.24 1.22 3.38 -0.54 0.16 115.31 120.21 1ocz h LEU 124 Ca 0.35 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 1ocz h LEU 124 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ocz h LEU 124 CO -0.16 0.25 -0.09 0.44 0.09 0.00 0.00 178.44 178.97 1ocz h ASP 125 N 0.00 0.49 0.19 -0.43 5.19 0.25 -2.80 116.42 119.31 1ocz h ASP 125 Ca -0.00 -0.39 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 1ocz h ASP 125 Cb 0.47 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1ocz h ASP 125 CO 0.03 0.77 -0.02 1.15 -3.12 0.00 0.00 179.24 178.06 1ocz n MET 126 N -4.53 0.88 -3.14 3.56 0.00 -0.36 -4.93 117.12 108.60 1ocz n MET 126 Ca -0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 57.70 57.39 1ocz n MET 126 Cb 0.32 -1.50 0.05 0.00 0.00 0.00 0.00 33.22 32.10 1ocz n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1ocz n LYS 127 N -0.95 -4.88 -1.68 3.17 4.01 -0.28 -4.91 118.16 112.63 1ocz n LYS 127 Ca 0.20 0.53 -0.50 0.00 -0.51 0.00 0.00 58.31 58.02 1ocz n LYS 127 Cb 0.19 -4.64 -0.05 0.00 -0.51 0.00 0.00 35.03 30.02 1ocz n LYS 127 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1ocz n VAL 128 N -3.86 0.44 -3.35 -0.18 0.31 -0.11 -2.44 118.33 109.12 1ocz n VAL 128 Ca -0.03 -0.08 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 1ocz n VAL 128 Cb 0.55 -1.66 0.02 0.00 -0.91 0.00 0.00 33.84 31.84 1ocz n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ocz n ALA 129 N 5.86 -2.57 0.15 3.52 0.00 -1.26 -0.70 120.51 125.51 1ocz n ALA 129 Ca 0.23 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.45 1ocz n ALA 129 Cb 0.26 -2.54 -0.08 0.00 0.00 0.00 0.00 19.45 17.08 1ocz n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ocz h PRO 130 N -0.39 -0.37 0.00 0.00 0.13 -1.83 -1.06 132.00 128.48 1ocz h PRO 130 Ca -0.35 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 1ocz h PRO 130 Cb 1.20 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ocz h PRO 130 CO 0.37 -0.07 -0.06 0.82 -0.23 0.00 0.00 178.00 178.83 1ocz h ILE 131 N -0.66 0.71 0.00 -3.56 2.04 -1.92 -2.96 117.51 111.16 1ocz h ILE 131 Ca -0.04 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1ocz h ILE 131 Cb 0.46 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1ocz h ILE 131 CO 0.06 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1ocz n GLN 132 N -3.98 0.00 0.00 2.37 6.02 -1.25 -4.94 117.38 115.60 1ocz n GLN 132 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1ocz n GLN 132 Cb 0.15 -0.02 0.00 0.00 1.02 0.00 0.00 30.24 31.39 1ocz n GLN 132 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ocz n GLY 133 N -1.11 -2.84 0.15 1.08 0.00 -1.20 -4.57 105.19 96.70 1ocz n GLY 133 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ocz n GLY 133 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ocz n PHE 134 N -1.16 0.00 0.33 1.61 7.35 -0.46 -4.72 117.46 120.42 1ocz n PHE 134 Ca 0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 1ocz n PHE 134 Cb 0.00 0.00 0.92 0.00 0.35 0.00 0.00 39.48 40.75 1ocz n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ocz h SER 135 N 0.00 0.00 0.48 -2.13 0.02 -0.30 0.33 113.55 111.95 1ocz h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ocz h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ocz h SER 135 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1ocz n ALA 136 N -1.95 1.96 -1.39 3.77 0.00 -1.12 -2.12 120.51 119.66 1ocz n ALA 136 Ca -0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 1ocz n ALA 136 Cb 0.31 -1.31 0.20 0.00 0.00 0.00 0.00 19.45 18.64 1ocz n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ocz n LYS 137 N -1.37 1.96 -4.29 0.00 5.02 0.12 -4.94 118.16 114.66 1ocz n LYS 137 Ca 0.07 -3.14 -0.19 0.00 -2.02 0.00 0.00 58.31 53.03 1ocz n LYS 137 Cb 0.18 -1.92 -0.13 0.00 -0.02 0.00 0.00 35.03 33.14 1ocz n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1ocz s TRP 138 N -3.27 1.16 -0.94 2.13 -0.11 -0.90 -1.51 118.94 115.51 1ocz s TRP 138 Ca 0.48 -0.37 -0.07 0.00 1.22 0.00 0.00 56.10 57.36 1ocz s TRP 138 Cb 0.43 -0.68 0.24 0.00 -1.50 0.00 0.00 33.47 31.95 1ocz s TRP 138 CO 0.03 0.03 0.87 0.34 -4.62 0.00 0.00 176.95 173.59 1ocz s ASP 139 N -1.24 6.55 0.63 5.86 -1.08 0.16 -4.57 116.67 123.00 1ocz s ASP 139 Ca 0.00 -3.40 0.32 0.00 -0.52 0.00 0.00 52.55 48.94 1ocz s ASP 139 Cb -0.08 -2.07 1.73 0.00 -1.46 0.00 0.00 42.92 41.04 1ocz s ASP 139 CO 0.01 -0.31 2.03 1.88 0.52 0.00 0.00 175.17 179.30 1ocz h TYR 140 N 6.68 0.00 0.00 -5.34 0.05 -1.92 1.15 116.97 117.59 1ocz h TYR 140 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1ocz h TYR 140 Cb 0.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.63 1ocz h TYR 140 CO 0.79 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 177.65 1ocz n ASP 141 N -3.28 0.00 -0.02 3.88 8.00 -1.26 -3.93 116.55 119.93 1ocz n ASP 141 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1ocz n ASP 141 Cb 0.37 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1ocz n ASP 141 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ocz n LYS 142 N -1.46 0.69 -3.70 -1.24 5.02 -1.17 -4.86 118.16 111.44 1ocz n LYS 142 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1ocz n LYS 142 Cb 0.00 -1.02 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1ocz n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ocz n ASN 143 N -0.47 -2.72 -3.61 4.39 3.02 0.39 -4.95 115.26 111.32 1ocz n ASN 143 Ca 0.00 -0.74 -0.11 0.00 -0.03 0.00 0.00 54.58 53.70 1ocz n ASN 143 Cb 0.01 -0.99 -0.05 0.00 -0.61 0.00 0.00 39.78 38.14 1ocz n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1ocz s GLU 144 N -5.49 1.06 -0.05 3.52 -1.05 -1.02 -4.98 118.70 110.70 1ocz s GLU 144 Ca 0.19 -0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 54.12 1ocz s GLU 144 Cb -0.10 0.47 -0.07 0.00 -0.44 0.00 0.00 34.13 33.99 1ocz s GLU 144 CO 0.59 -0.41 1.83 -1.58 0.95 0.00 0.00 175.26 176.64 1ocz s TRP 145 N -3.48 1.63 0.25 4.83 0.52 -1.26 0.41 118.94 121.83 1ocz s TRP 145 Ca 0.01 -0.01 -0.30 0.00 0.02 0.00 0.00 56.10 55.81 1ocz s TRP 145 Cb 0.01 -4.06 -0.14 0.00 -1.15 0.00 0.00 33.47 28.13 1ocz s TRP 145 CO -0.10 -4.49 1.17 1.17 0.02 0.00 0.00 176.95 174.72 1ocz n LYS 146 N 7.50 1.52 0.00 4.98 4.81 -0.57 -4.78 118.16 131.62 1ocz n LYS 146 Ca 0.20 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1ocz n LYS 146 Cb 0.43 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.45 1ocz n LYS 146 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74