#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 4.51 0.07 0.44 1.01 -1.26 -5.04 120.40 120.13 1ocz s VAL 5 Ca 0.00 1.82 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 1ocz s VAL 5 Cb 0.00 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1ocz s VAL 5 CO 0.00 -0.09 0.47 -0.69 0.00 0.00 0.00 175.10 174.79 1ocz s VAL 6 N 2.79 4.95 0.05 2.92 1.01 -1.26 -5.09 120.40 125.76 1ocz s VAL 6 Ca 0.50 0.81 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1ocz s VAL 6 Cb -0.19 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1ocz s VAL 6 CO 0.14 0.42 -0.23 -0.54 0.00 0.00 0.00 175.10 174.89 1ocz s LYS 7 N -1.52 1.55 0.23 2.72 1.02 -1.26 -5.04 119.74 117.45 1ocz s LYS 7 Ca 0.31 -1.03 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 1ocz s LYS 7 Cb -0.16 -1.71 0.38 0.00 -0.52 0.00 0.00 37.83 35.82 1ocz s LYS 7 CO 0.17 0.44 1.75 0.77 -0.92 0.00 0.00 175.35 177.56 1ocz h SER 8 N 4.78 0.35 0.16 2.83 0.02 -2.05 -0.05 113.55 119.60 1ocz h SER 8 Ca -0.45 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1ocz h SER 8 Cb 1.15 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1ocz h SER 8 CO 0.43 0.18 0.00 -0.62 -1.14 0.00 0.00 176.83 175.68 1ocz n GLU 9 N -4.94 0.08 -0.16 3.45 4.71 -1.26 -2.26 120.64 120.27 1ocz n GLU 9 Ca 0.12 0.25 0.02 0.00 -0.01 0.00 0.00 57.16 57.54 1ocz n GLU 9 Cb 0.33 -1.50 0.09 0.00 -1.01 0.00 0.00 31.44 29.36 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 -1.33 1.58 0.21 1.62 8.00 -0.03 -4.34 116.55 122.26 1ocz n ASP 10 Ca 0.03 -2.11 0.13 0.00 0.71 0.00 0.00 54.79 53.55 1ocz n ASP 10 Cb 0.06 -0.33 0.71 0.00 -0.02 0.00 0.00 41.12 41.55 1ocz n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1ocz h TYR 11 N 1.06 0.00 -0.01 1.24 -0.00 -1.64 -1.64 116.97 115.98 1ocz h TYR 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ocz h TYR 11 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 1ocz h TYR 11 CO 0.20 0.00 -0.39 0.00 -0.00 0.00 0.00 178.16 177.97 1ocz n ALA 12 N -1.82 3.30 -2.68 0.10 0.00 -1.26 -4.97 120.51 113.18 1ocz n ALA 12 Ca -0.02 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.54 1ocz n ALA 12 Cb 0.09 -0.58 -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 -2.14 4.36 0.49 0.00 1.43 -0.62 -5.05 118.68 117.16 1ocz s LEU 13 Ca 0.13 0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 53.67 1ocz s LEU 13 Cb 0.13 -2.82 -0.09 0.00 0.03 0.00 0.00 46.19 43.44 1ocz s LEU 13 CO 0.44 0.21 0.88 -2.65 0.23 0.00 0.00 176.35 175.46 1ocz n PRO 14 N 0.99 1.03 -4.50 1.29 -0.02 -1.26 -4.99 135.00 127.54 1ocz n PRO 14 Ca -0.10 0.38 -0.24 0.00 -2.02 0.00 0.00 63.50 61.52 1ocz n PRO 14 Cb 0.53 -1.97 -0.09 0.00 -0.02 0.00 0.00 33.50 31.94 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 -0.96 2.65 0.06 2.55 1.04 -1.26 -4.88 113.70 112.90 1ocz s SER 15 Ca 0.67 -1.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.48 1ocz s SER 15 Cb -0.51 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.95 1ocz s SER 15 CO 0.54 -0.86 0.25 -0.47 0.98 0.00 0.00 173.24 173.68 1ocz s TYR 16 N -3.25 3.52 -0.29 5.02 5.04 -1.26 -3.58 117.35 122.55 1ocz s TYR 16 Ca 0.27 0.38 -0.14 0.00 -2.44 0.00 0.00 57.07 55.14 1ocz s TYR 16 Cb 0.04 -1.85 0.12 0.00 0.35 0.00 0.00 41.96 40.61 1ocz s TYR 16 CO 0.14 0.57 0.76 0.54 -1.34 0.00 0.00 175.55 176.22 1ocz s VAL 17 N -1.48 -0.43 -0.31 3.14 0.11 -1.26 -5.05 120.40 115.12 1ocz s VAL 17 Ca 0.34 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.18 1ocz s VAL 17 Cb -0.13 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 1ocz s VAL 17 CO 0.24 0.00 0.65 -1.81 -3.33 0.00 0.00 175.10 170.85 1ocz s ASP 18 N 2.16 6.52 -0.30 3.54 1.01 -1.26 -4.63 116.67 123.71 1ocz s ASP 18 Ca -0.07 0.45 -0.12 0.00 0.71 0.00 0.00 52.55 53.52 1ocz s ASP 18 Cb -0.07 -2.34 0.17 0.00 1.01 0.00 0.00 42.92 41.68 1ocz s ASP 18 CO -0.19 -0.50 0.88 0.00 0.21 0.00 0.00 175.17 175.57 1ocz s ARG 19 N 2.67 0.37 0.18 8.23 1.70 -1.26 -5.06 118.95 125.77 1ocz s ARG 19 Ca 0.26 0.82 0.11 0.00 -0.47 0.00 0.00 55.73 56.46 1ocz s ARG 19 Cb -0.15 0.49 0.64 0.00 -0.57 0.00 0.00 34.95 35.36 1ocz s ARG 19 CO 0.12 -0.22 0.73 0.54 -1.08 0.00 0.00 175.30 175.39 1ocz n ARG 20 N 5.23 -0.02 -0.30 3.89 1.74 -1.26 -0.01 116.66 125.93 1ocz n ARG 20 Ca -0.08 0.62 0.07 0.00 -0.77 0.00 0.00 57.85 57.70 1ocz n ARG 20 Cb 0.52 -1.15 0.22 0.00 -1.02 0.00 0.00 32.46 31.03 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 -3.92 2.80 -2.97 0.55 5.75 -1.26 -4.05 116.55 113.44 1ocz n ASP 21 Ca 0.18 -2.09 -0.15 0.00 -0.01 0.00 0.00 54.79 52.72 1ocz n ASP 21 Cb 0.63 -0.37 0.01 0.00 -1.03 0.00 0.00 41.12 40.37 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 0.83 -1.52 -0.22 2.11 9.36 0.98 -5.02 117.16 123.69 1ocz n TYR 22 Ca 0.16 -2.87 0.14 0.00 3.32 0.00 0.00 57.90 58.65 1ocz n TYR 22 Cb 0.48 0.58 0.44 0.00 -0.63 0.00 0.00 39.34 40.20 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 3.41 0.55 -4.02 2.98 0.13 -1.70 -3.36 132.00 129.99 1ocz h PRO 23 Ca -0.01 -0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 64.39 1ocz h PRO 23 Cb 1.00 -0.12 -0.35 0.00 0.13 0.00 0.00 31.00 31.66 1ocz h PRO 23 CO 0.35 0.36 -0.45 -0.51 -0.23 0.00 0.00 178.00 177.53 1ocz s LEU 24 N -9.60 5.27 1.07 1.56 1.43 -1.26 -4.95 118.68 112.20 1ocz s LEU 24 Ca -0.09 -2.45 -0.12 0.00 -1.03 0.00 0.00 54.13 50.44 1ocz s LEU 24 Cb 0.22 -1.85 0.23 0.00 0.03 0.00 0.00 46.19 44.82 1ocz s LEU 24 CO 0.78 -0.46 1.07 -2.16 0.23 0.00 0.00 176.35 175.81 1ocz s PRO 25 N 0.53 -0.19 0.40 1.29 0.04 -1.26 -4.94 135.00 130.86 1ocz s PRO 25 Ca 0.13 1.06 0.28 0.00 0.04 0.00 0.00 61.00 62.51 1ocz s PRO 25 Cb -0.22 -1.62 1.00 0.00 0.04 0.00 0.00 34.50 33.70 1ocz s PRO 25 CO -0.04 -3.30 1.81 -0.44 0.04 0.00 0.00 177.00 175.07 1ocz h ASP 26 N -2.33 0.00 -4.75 6.66 3.32 -1.94 -3.46 116.42 113.93 1ocz h ASP 26 Ca -0.55 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.26 1ocz h ASP 26 Cb 1.31 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.68 1ocz h ASP 26 CO 0.48 0.00 -0.71 -0.69 -1.72 0.00 0.00 179.24 176.59 1ocz s VAL 27 N -3.41 0.55 0.16 -1.35 1.01 -1.24 -4.87 120.40 111.26 1ocz s VAL 27 Ca 0.04 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 1ocz s VAL 27 Cb 0.09 -1.05 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 1ocz s VAL 27 CO 0.53 -0.62 1.07 0.00 0.00 0.00 0.00 175.10 176.08 1ocz s ALA 28 N -2.40 3.34 0.24 5.51 0.00 -1.26 -4.68 121.76 122.50 1ocz s ALA 28 Ca -0.01 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 1ocz s ALA 28 Cb -0.03 -3.33 0.41 0.00 0.00 0.00 0.00 23.12 20.17 1ocz s ALA 28 CO -0.02 -0.16 1.74 1.25 0.00 0.00 0.00 175.76 178.56 1ocz h HIS 29 N 5.23 0.52 -3.46 0.00 2.76 -0.37 -3.38 115.15 116.46 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 -0.12 -0.30 0.00 1.55 0.00 0.00 27.41 29.75 1ocz h HIS 29 CO 0.63 0.10 -0.74 0.08 -1.30 0.00 0.00 177.93 176.70 1ocz s VAL 30 N -6.04 3.06 -0.15 5.26 1.01 -0.10 -1.55 120.40 121.89 1ocz s VAL 30 Ca -0.12 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1ocz s VAL 30 Cb 0.20 -2.50 -0.24 0.00 0.00 0.00 0.00 36.38 33.84 1ocz s VAL 30 CO 0.76 0.27 0.30 1.17 0.00 0.00 0.00 175.10 177.60 1ocz n LYS 31 N 4.72 0.71 -3.32 2.72 3.00 -1.26 -4.89 118.16 119.85 1ocz n LYS 31 Ca -0.17 0.33 -0.38 0.00 -0.00 0.00 0.00 58.31 58.09 1ocz n LYS 31 Cb 0.48 -1.71 -0.06 0.00 0.00 0.00 0.00 35.03 33.74 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 -6.99 6.63 -0.01 3.14 0.01 -1.26 -5.07 114.94 111.38 1ocz s ASN 32 Ca -0.25 0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.67 1ocz s ASN 32 Cb 0.07 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 1ocz s ASN 32 CO 0.72 -0.04 -0.02 -0.76 -1.51 0.00 0.00 177.10 175.49 1ocz s LEU 33 N 0.87 3.40 0.65 0.60 1.43 -1.26 -5.09 118.68 119.29 1ocz s LEU 33 Ca 0.25 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.25 1ocz s LEU 33 Cb -0.15 -1.93 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1ocz s LEU 33 CO 0.10 0.29 0.96 -0.94 0.23 0.00 0.00 176.35 176.98 1ocz s SER 34 N -1.44 5.13 0.16 2.29 1.04 -1.26 -4.80 113.70 114.81 1ocz s SER 34 Ca 0.18 0.52 -0.21 0.00 0.48 0.00 0.00 55.95 56.92 1ocz s SER 34 Cb -0.11 -1.31 0.07 0.00 0.10 0.00 0.00 66.02 64.76 1ocz s SER 34 CO 0.09 -1.37 1.63 0.00 0.98 0.00 0.00 173.24 174.56 1ocz h ALA 35 N -0.40 -0.01 -0.03 5.32 0.00 -1.99 0.53 119.26 122.67 1ocz h ALA 35 Ca -0.45 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ocz h ALA 35 Cb 1.29 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 1ocz h ALA 35 CO 0.60 -0.62 0.02 0.66 0.00 0.00 0.00 179.25 179.92 1ocz h SER 36 N -0.18 0.00 0.06 0.00 4.64 -1.98 -0.10 113.55 115.98 1ocz h SER 36 Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 1ocz h SER 36 Cb 0.45 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1ocz h SER 36 CO -0.44 0.00 -0.63 1.56 -0.87 0.00 0.00 176.83 176.44 1ocz h GLN 37 N 0.00 0.32 -0.39 4.77 4.20 -1.45 -0.81 115.11 121.76 1ocz h GLN 37 Ca 0.01 -0.43 0.09 0.00 0.06 0.00 0.00 58.65 58.38 1ocz h GLN 37 Cb 0.06 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1ocz h GLN 37 CO -0.00 1.14 0.28 0.87 -0.67 0.00 0.00 178.83 180.45 1ocz h LYS 38 N -0.29 0.13 -0.05 1.46 1.57 -0.26 0.20 116.57 119.33 1ocz h LYS 38 Ca -0.10 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1ocz h LYS 38 Cb 1.41 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.69 1ocz h LYS 38 CO 0.12 0.09 -0.05 0.00 -0.57 0.00 0.00 179.45 179.04 1ocz h ALA 39 N 1.80 0.07 -0.82 3.86 0.00 -0.88 -2.22 119.26 121.07 1ocz h ALA 39 Ca 0.18 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ocz h ALA 39 Cb 0.55 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1ocz h ALA 39 CO -0.02 -0.13 0.54 1.25 0.00 0.00 0.00 179.25 180.89 1ocz h LEU 40 N -0.34 0.90 -1.30 0.00 6.46 0.38 -0.09 115.31 121.33 1ocz h LEU 40 Ca 0.01 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1ocz h LEU 40 Cb 0.57 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1ocz h LEU 40 CO 0.01 0.64 0.15 0.11 -0.62 0.00 0.00 178.44 178.73 1ocz h LYS 41 N 1.06 0.64 -0.04 1.25 1.79 -0.60 -2.29 116.57 118.37 1ocz h LYS 41 Ca 0.31 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.67 1ocz h LYS 41 Cb -0.04 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.50 1ocz h LYS 41 CO -0.08 0.55 -0.05 0.93 -1.08 0.00 0.00 179.45 179.72 1ocz h GLU 42 N 0.63 0.10 -0.38 3.15 4.39 -0.41 -3.00 114.58 119.05 1ocz h GLU 42 Ca 0.15 -0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.91 1ocz h GLU 42 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1ocz h GLU 42 CO -0.01 0.58 0.35 0.87 -1.16 0.00 0.00 179.01 179.64 1ocz h LYS 43 N -0.38 0.00 0.00 2.33 1.57 -1.03 -0.68 116.57 118.38 1ocz h LYS 43 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ocz h LYS 43 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1ocz h LYS 43 CO 0.01 0.00 -0.11 1.49 -0.57 0.00 0.00 179.45 180.28 1ocz h GLU 44 N 0.00 0.00 0.00 3.15 4.81 -1.27 -1.72 114.58 119.55 1ocz h GLU 44 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1ocz h GLU 44 Cb 0.88 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1ocz h GLU 44 CO -0.00 0.11 0.00 0.87 -0.73 0.00 0.00 179.01 179.25 1ocz h LYS 45 N 0.00 0.00 0.00 1.92 1.57 -1.20 -3.45 116.57 115.42 1ocz h LYS 45 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ocz h LYS 45 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ocz h LYS 45 CO 0.01 0.00 0.01 0.00 -0.57 0.00 0.00 179.45 178.90 1ocz n ALA 46 N -2.06 -0.03 -2.14 3.86 0.00 -0.65 -4.99 120.51 114.49 1ocz n ALA 46 Ca 0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1ocz n ALA 46 Cb 0.43 -0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.13 6.92 0.55 0.00 0.15 -1.26 -4.90 113.70 114.03 1ocz s SER 47 Ca 0.02 2.29 0.33 0.00 0.70 0.00 0.00 55.95 59.29 1ocz s SER 47 Cb -0.00 -2.60 1.42 0.00 -1.71 0.00 0.00 66.02 63.14 1ocz s SER 47 CO 0.01 -0.55 2.01 -0.50 1.20 0.00 0.00 173.24 175.41 1ocz h TRP 48 N 6.16 0.00 0.00 3.44 6.55 -1.88 -2.10 115.95 128.12 1ocz h TRP 48 Ca -0.43 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.38 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 0.03 -0.13 0.77 -1.05 0.00 0.00 178.44 178.71 1ocz h SER 49 N 0.00 0.00 -0.15 -3.49 0.02 -1.99 -1.59 113.55 106.35 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 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1ocz h SER 49 CO 0.00 0.13 0.00 -1.20 -1.14 0.00 0.00 176.83 174.62 1ocz n SER 50 N -4.15 1.03 -4.91 3.07 7.64 -0.79 -4.89 113.62 110.61 1ocz n SER 50 Ca -0.02 -1.78 -0.28 0.00 1.01 0.00 0.00 58.87 57.79 1ocz n SER 50 Cb 0.20 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.30 4.13 0.30 -3.43 1.43 -0.60 -5.06 118.68 114.14 1ocz s LEU 51 Ca 0.22 0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 53.86 1ocz s LEU 51 Cb 0.12 -3.41 -0.06 0.00 0.03 0.00 0.00 46.19 42.87 1ocz s LEU 51 CO 0.17 -0.13 0.60 -0.94 0.23 0.00 0.00 176.35 176.29 1ocz s SER 52 N -3.09 6.53 0.19 2.29 1.04 -1.26 -4.92 113.70 114.49 1ocz s SER 52 Ca 0.42 0.89 -0.13 0.00 0.48 0.00 0.00 55.95 57.61 1ocz s SER 52 Cb -0.11 -2.22 0.19 0.00 0.10 0.00 0.00 66.02 63.99 1ocz s SER 52 CO 0.29 -0.20 1.69 0.40 0.98 0.00 0.00 173.24 176.40 1ocz h ILE 53 N 1.54 0.64 -0.82 -1.02 2.04 -1.98 0.18 117.51 118.07 1ocz h ILE 53 Ca -0.47 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.36 1ocz h ILE 53 Cb 1.18 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1ocz h ILE 53 CO 0.67 0.03 0.54 0.44 0.00 0.00 0.00 178.15 179.82 1ocz h ASP 54 N 0.15 0.89 -0.13 1.72 3.32 -1.98 0.23 116.42 120.61 1ocz h ASP 54 Ca 0.25 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1ocz h ASP 54 Cb 0.37 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ocz h ASP 54 CO -0.39 0.62 -0.19 -0.33 -1.72 0.00 0.00 179.24 177.23 1ocz h GLU 55 N 1.04 0.53 -0.32 3.56 5.08 -1.35 0.22 114.58 123.33 1ocz h GLU 55 Ca 0.32 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 1ocz h GLU 55 Cb -0.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1ocz h GLU 55 CO -0.09 0.69 -0.39 0.87 -1.00 0.00 0.00 179.01 179.10 1ocz h LYS 56 N 0.48 0.76 0.02 2.33 1.57 0.16 0.29 116.57 122.18 1ocz h LYS 56 Ca 0.08 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1ocz h LYS 56 Cb 0.59 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1ocz h LYS 56 CO 0.04 1.01 -0.01 0.28 -0.57 0.00 0.00 179.45 180.21 1ocz h VAL 57 N 0.63 1.34 -0.80 0.50 2.07 -0.13 -1.17 116.25 118.69 1ocz h VAL 57 Ca 0.05 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.53 1ocz h VAL 57 Cb 0.93 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.74 1ocz h VAL 57 CO 0.09 0.29 0.52 -0.08 0.02 0.00 0.00 177.57 178.41 1ocz h GLU 58 N -0.51 0.79 -0.17 1.57 4.81 -0.54 0.29 114.58 120.82 1ocz h GLU 58 Ca -0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1ocz h GLU 58 Cb 0.49 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1ocz h GLU 58 CO 0.00 0.52 0.06 1.25 -0.73 0.00 0.00 179.01 180.12 1ocz h LEU 59 N 0.81 0.24 0.61 1.64 5.85 -0.73 -2.53 115.31 121.19 1ocz h LEU 59 Ca 0.36 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1ocz h LEU 59 Cb 0.33 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1ocz h LEU 59 CO -0.13 0.36 -0.42 0.22 -0.34 0.00 0.00 178.44 178.13 1ocz h TYR 60 N 0.10 -1.14 0.00 1.25 3.20 0.69 -2.67 116.97 118.40 1ocz h TYR 60 Ca 0.05 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ocz h TYR 60 Cb 0.20 0.42 0.00 0.00 1.54 0.00 0.00 36.73 38.89 1ocz h TYR 60 CO -0.01 -0.61 0.13 0.54 -1.64 0.00 0.00 178.16 176.57 1ocz n ARG 61 N -5.04 0.00 0.04 1.82 5.12 0.57 -0.89 116.66 118.27 1ocz n ARG 61 Ca -0.12 0.26 -0.22 0.00 -1.93 0.00 0.00 57.85 55.84 1ocz n ARG 61 Cb 0.42 -1.63 -0.14 0.00 -1.16 0.00 0.00 32.46 29.95 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 0.50 0.00 0.55 5.85 -1.09 -3.41 115.31 117.72 1ocz h LEU 62 Ca 0.00 -0.93 -0.00 0.00 0.84 0.00 0.00 57.88 57.79 1ocz h LEU 62 Cb 0.25 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1ocz h LEU 62 CO 0.00 1.79 -0.00 0.50 -0.34 0.00 0.00 178.44 180.39 1ocz h LYS 63 N 0.02 -0.00 -6.16 1.25 1.63 -1.01 -0.23 116.57 112.06 1ocz h LYS 63 Ca -0.37 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 58.87 1ocz h LYS 63 Cb 2.02 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 33.56 1ocz h LYS 63 CO 0.12 0.81 -0.62 -0.06 -3.45 0.00 0.00 179.45 176.26 1ocz s PHE 64 N -2.96 2.69 -0.25 1.91 0.08 -0.94 0.12 117.98 118.62 1ocz s PHE 64 Ca -0.18 -0.27 -0.14 0.00 0.12 0.00 0.00 56.93 56.46 1ocz s PHE 64 Cb -0.01 -1.32 -0.15 0.00 -0.57 0.00 0.00 43.02 40.97 1ocz s PHE 64 CO 0.68 0.55 -0.16 1.17 -0.10 0.00 0.00 175.22 177.36 1ocz n LYS 65 N -0.96 0.60 -4.59 0.44 4.81 -1.26 -4.45 118.16 112.74 1ocz n LYS 65 Ca -0.06 0.34 -0.25 0.00 -0.87 0.00 0.00 58.31 57.48 1ocz n LYS 65 Cb 0.60 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.93 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 -2.47 1.31 0.67 1.64 2.02 -1.26 -5.06 118.70 115.55 1ocz s GLU 66 Ca -0.35 -0.91 -0.09 0.00 0.02 0.00 0.00 54.97 53.64 1ocz s GLU 66 Cb 0.12 -1.40 0.02 0.00 0.10 0.00 0.00 34.13 32.96 1ocz s GLU 66 CO 0.54 0.36 1.02 -1.54 0.02 0.00 0.00 175.26 175.66 1ocz s SER 67 N -1.17 5.38 0.44 -0.19 1.04 -1.26 -4.82 113.70 113.12 1ocz s SER 67 Ca 0.06 0.90 0.15 0.00 0.48 0.00 0.00 55.95 57.54 1ocz s SER 67 Cb -0.09 -1.74 1.06 0.00 0.10 0.00 0.00 66.02 65.36 1ocz s SER 67 CO 0.02 -1.30 1.97 -0.26 0.98 0.00 0.00 173.24 174.65 1ocz h PHE 68 N -0.50 0.41 -0.06 5.02 -1.00 -2.00 -0.66 116.94 118.14 1ocz h PHE 68 Ca -0.45 0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.29 1ocz h PHE 68 Cb 1.26 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.68 1ocz h PHE 68 CO 0.46 0.19 -0.18 0.00 -1.61 0.00 0.00 178.31 177.17 1ocz h ALA 69 N 1.70 1.59 0.07 2.45 0.00 -1.96 0.80 119.26 123.90 1ocz h ALA 69 Ca 0.28 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1ocz h ALA 69 Cb 0.61 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ocz h ALA 69 CO -0.08 0.30 -1.01 0.93 0.00 0.00 0.00 179.25 179.39 1ocz h GLU 70 N 0.09 0.14 0.00 0.00 5.08 -1.53 -3.20 114.58 115.16 1ocz h GLU 70 Ca 0.02 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1ocz h GLU 70 Cb 0.37 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1ocz h GLU 70 CO 0.03 1.12 -0.15 0.00 -1.00 0.00 0.00 179.01 179.01 1ocz h MET 71 N -0.62 0.00 -0.23 2.33 -0.00 -1.03 -1.29 114.93 114.10 1ocz h MET 71 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.47 1ocz h MET 71 Cb 1.48 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.08 1ocz h MET 71 CO -0.01 0.15 0.00 0.09 -0.00 0.00 0.00 176.91 177.14 1ocz n ASN 72 N -4.10 1.96 -4.70 -0.10 4.13 0.26 -4.93 115.26 107.77 1ocz n ASN 72 Ca -0.02 -1.79 -0.42 0.00 1.68 0.00 0.00 54.58 54.03 1ocz n ASN 72 Cb 0.23 -0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.29 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 -1.71 4.21 0.26 3.52 3.52 -0.49 -5.00 118.95 123.26 1ocz s ARG 73 Ca 0.32 2.34 -0.21 0.00 -0.13 0.00 0.00 55.73 58.05 1ocz s ARG 73 Cb 0.17 -3.37 -0.09 0.00 -1.56 0.00 0.00 34.95 30.10 1ocz s ARG 73 CO 0.26 -0.66 0.79 -1.54 -0.81 0.00 0.00 175.30 173.33 1ocz s SER 74 N 1.76 7.13 0.46 -2.12 1.04 -1.26 -5.07 113.70 115.62 1ocz s SER 74 Ca 0.72 1.54 0.07 0.00 0.48 0.00 0.00 55.95 58.76 1ocz s SER 74 Cb -0.42 -2.46 -0.00 0.00 0.10 0.00 0.00 66.02 63.24 1ocz s SER 74 CO 0.32 -0.01 0.40 0.42 0.98 0.00 0.00 173.24 175.35 1ocz s THR 75 N -1.58 2.37 -0.69 2.02 -4.23 -1.26 -5.01 115.64 107.27 1ocz s THR 75 Ca 0.46 -1.37 0.09 0.00 -1.18 0.00 0.00 61.69 59.68 1ocz s THR 75 Cb -0.17 -2.74 0.47 0.00 1.34 0.00 0.00 72.50 71.40 1ocz s THR 75 CO 0.21 0.00 1.24 0.59 -0.54 0.00 0.00 174.62 176.12 1ocz n ASN 76 N -1.63 3.63 -0.10 3.99 3.02 -1.26 -4.58 115.26 118.34 1ocz n ASN 76 Ca 0.03 -2.49 -0.07 0.00 -0.03 0.00 0.00 54.58 52.01 1ocz n ASN 76 Cb 0.62 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 2.34 0.33 -1.20 3.52 4.81 -2.02 -3.12 114.58 119.24 1ocz h GLU 77 Ca 0.00 -0.02 0.39 0.00 -0.13 0.00 0.00 59.36 59.60 1ocz h GLU 77 Cb 1.30 -0.08 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 1ocz h GLU 77 CO 0.26 0.22 0.76 0.11 -0.73 0.00 0.00 179.01 179.63 1ocz h TRP 78 N 0.34 0.62 -0.13 0.92 5.08 -2.00 0.29 115.95 121.08 1ocz h TRP 78 Ca 0.14 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.14 1ocz h TRP 78 Cb 0.05 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.05 1ocz h TRP 78 CO -0.10 -0.17 0.07 0.87 -1.28 0.00 0.00 178.44 177.84 1ocz h LYS 79 N 0.17 0.18 -0.67 0.12 1.57 -1.92 0.11 116.57 116.13 1ocz h LYS 79 Ca 0.77 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.49 1ocz h LYS 79 Cb 2.22 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.47 1ocz h LYS 79 CO -0.44 0.19 0.27 1.15 -0.57 0.00 0.00 179.45 180.04 1ocz h THR 80 N 0.12 1.24 0.43 -0.16 2.02 -0.61 0.36 112.91 116.32 1ocz h THR 80 Ca 0.05 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1ocz h THR 80 Cb 0.06 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 1ocz h THR 80 CO -0.01 0.30 -0.21 0.58 0.37 0.00 0.00 175.52 176.55 1ocz h VAL 81 N 0.94 0.58 -0.24 3.16 2.07 -1.16 0.44 116.25 122.03 1ocz h VAL 81 Ca 0.22 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1ocz h VAL 81 Cb 0.20 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1ocz h VAL 81 CO -0.02 0.02 0.07 0.58 0.02 0.00 0.00 177.57 178.24 1ocz h VAL 82 N -0.64 1.20 -0.21 2.57 2.07 -0.70 -1.10 116.25 119.44 1ocz h VAL 82 Ca -0.06 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1ocz h VAL 82 Cb 0.48 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ocz h VAL 82 CO 0.10 0.20 0.05 1.23 0.02 0.00 0.00 177.57 179.17 1ocz h GLY 83 N 0.22 0.37 1.83 2.17 0.00 -0.95 -1.83 103.07 104.88 1ocz h GLY 83 Ca 0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 1ocz h GLY 83 CO -0.00 0.22 -0.09 0.00 0.00 0.00 0.00 176.54 176.67 1ocz h ALA 84 N 0.86 1.59 -0.08 3.60 0.00 -0.90 -1.50 119.26 122.83 1ocz h ALA 84 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1ocz h ALA 84 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ocz h ALA 84 CO 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 179.25 179.50 1ocz h ALA 85 N 1.71 0.12 -0.60 0.00 0.00 -1.05 -2.79 119.26 116.64 1ocz h ALA 85 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ocz h ALA 85 Cb 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1ocz h ALA 85 CO 0.02 -0.11 0.34 0.52 0.00 0.00 0.00 179.25 180.01 1ocz h MET 86 N -0.20 0.82 -0.31 0.00 2.07 -1.12 0.10 114.93 116.29 1ocz h MET 86 Ca 0.02 -0.08 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1ocz h MET 86 Cb 0.50 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.05 1ocz h MET 86 CO 0.01 0.60 0.15 0.35 1.07 0.00 0.00 176.91 179.10 1ocz h PHE 87 N 0.84 0.45 -0.19 -0.22 3.57 -1.23 0.61 116.94 120.76 1ocz h PHE 87 Ca 0.21 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 1ocz h PHE 87 Cb 0.01 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1ocz h PHE 87 CO 0.00 0.39 -0.42 0.74 -2.23 0.00 0.00 178.31 176.80 1ocz h PHE 88 N 0.37 0.54 -0.05 0.41 0.04 -1.13 0.13 116.94 117.25 1ocz h PHE 88 Ca 0.11 -0.16 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1ocz h PHE 88 Cb 0.11 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 1ocz h PHE 88 CO -0.02 0.80 -0.28 0.82 -0.60 0.00 0.00 178.31 179.03 1ocz h ILE 89 N 0.37 1.22 -0.02 -0.55 2.04 -0.80 -2.13 117.51 117.66 1ocz h ILE 89 Ca 0.03 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1ocz h ILE 89 Cb 0.89 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1ocz h ILE 89 CO 0.08 0.31 -0.02 1.23 0.00 0.00 0.00 178.15 179.75 1ocz h GLY 90 N 0.92 0.05 1.13 5.37 0.00 0.48 -2.94 103.07 108.08 1ocz h GLY 90 Ca 0.01 -0.05 0.10 0.00 0.00 0.00 0.00 47.33 47.39 1ocz h GLY 90 CO 0.04 0.04 0.35 -2.75 0.00 0.00 0.00 176.54 174.22 1ocz h PHE 91 N -0.46 0.26 -0.86 5.60 3.57 -0.64 -1.07 116.94 123.34 1ocz h PHE 91 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 1ocz h PHE 91 Cb 0.54 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.14 1ocz h PHE 91 CO 0.10 0.13 0.56 1.15 -2.23 0.00 0.00 178.31 178.02 1ocz h THR 92 N 0.25 1.03 0.00 4.41 2.02 -1.20 0.34 112.91 119.75 1ocz h THR 92 Ca 0.24 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 1ocz h THR 92 Cb 0.60 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1ocz h THR 92 CO -0.05 0.17 -0.08 0.00 0.37 0.00 0.00 175.52 175.93 1ocz h ALA 93 N 1.55 1.74 -0.43 6.16 0.00 -1.19 -1.92 119.26 125.17 1ocz h ALA 93 Ca 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1ocz h ALA 93 Cb 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ocz h ALA 93 CO -0.14 0.10 0.19 -0.07 0.00 0.00 0.00 179.25 179.33 1ocz h LEU 94 N 0.00 0.57 -0.49 0.00 3.38 -0.99 -1.39 115.31 116.40 1ocz h LEU 94 Ca -0.00 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ocz h LEU 94 Cb 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1ocz h LEU 94 CO 0.01 0.56 0.26 -0.07 0.09 0.00 0.00 178.44 179.29 1ocz h LEU 95 N 0.55 0.39 -1.16 1.67 3.38 -1.34 -1.15 115.31 117.65 1ocz h LEU 95 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ocz h LEU 95 Cb 0.15 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1ocz h LEU 95 CO -0.02 0.27 0.37 -0.07 0.09 0.00 0.00 178.44 179.08 1ocz h LEU 96 N 0.51 0.85 -0.03 1.67 3.38 -1.21 -0.76 115.31 119.73 1ocz h LEU 96 Ca 0.21 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ocz h LEU 96 Cb 0.10 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ocz h LEU 96 CO -0.13 0.69 -0.00 0.40 0.09 0.00 0.00 178.44 179.48 1ocz h ILE 97 N 0.95 1.26 -0.71 1.22 2.04 -0.79 -2.09 117.51 119.39 1ocz h ILE 97 Ca 0.24 -0.77 0.12 0.00 1.00 0.00 0.00 64.86 65.45 1ocz h ILE 97 Cb 0.04 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.75 1ocz h ILE 97 CO -0.04 0.21 0.29 -0.25 0.00 0.00 0.00 178.15 178.36 1ocz h TRP 98 N -0.26 0.50 -0.56 1.37 7.01 -0.55 0.13 115.95 123.59 1ocz h TRP 98 Ca 0.01 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 1ocz h TRP 98 Cb 0.33 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.25 1ocz h TRP 98 CO 0.04 0.10 0.20 1.49 -2.79 0.00 0.00 178.44 177.47 1ocz h GLU 99 N 0.46 0.86 -0.31 2.65 4.81 -1.10 0.93 114.58 122.88 1ocz h GLU 99 Ca 0.38 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1ocz h GLU 99 Cb 0.52 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1ocz h GLU 99 CO -0.36 0.76 0.09 -0.22 -0.73 0.00 0.00 179.01 178.56 1ocz h LYS 100 N 0.78 0.21 -0.23 1.92 1.63 -0.30 0.24 116.57 120.82 1ocz h LYS 100 Ca 0.18 -0.01 -0.18 0.00 -0.85 0.00 0.00 60.65 59.79 1ocz h LYS 100 Cb 0.25 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1ocz h LYS 100 CO -0.01 0.14 -0.55 1.25 -3.45 0.00 0.00 179.45 176.83 1ocz h HIS 101 N 0.22 0.99 0.00 1.91 2.76 -0.96 -3.30 115.15 116.77 1ocz h HIS 101 Ca 0.14 -0.38 -0.32 0.00 -2.20 0.00 0.00 60.37 57.61 1ocz h HIS 101 Cb 0.13 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 28.85 1ocz h HIS 101 CO -0.15 1.19 -2.21 0.66 -1.30 0.00 0.00 177.93 176.12 1ocz n TYR 102 N -4.07 0.00 0.02 5.26 4.01 0.30 -4.79 117.16 117.89 1ocz n TYR 102 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.48 1ocz n TYR 102 Cb 0.63 -0.82 -0.14 0.00 -0.31 0.00 0.00 39.34 38.69 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 0.74 -3.34 -0.72 2.07 -0.76 -3.47 116.25 110.77 1ocz h VAL 103 Ca -0.48 -2.44 -0.57 0.00 0.82 0.00 0.00 66.70 64.04 1ocz h VAL 103 Cb 1.76 2.56 -0.06 0.00 -1.52 0.00 0.00 31.29 34.04 1ocz h VAL 103 CO -0.07 0.85 0.29 -0.31 0.02 0.00 0.00 177.57 178.35 1ocz s TYR 104 N -2.57 3.48 0.35 1.57 2.02 -0.10 -5.03 117.35 117.07 1ocz s TYR 104 Ca -0.19 1.28 -0.06 0.00 -0.37 0.00 0.00 57.07 57.73 1ocz s TYR 104 Cb 0.06 -2.95 0.08 0.00 -0.40 0.00 0.00 41.96 38.75 1ocz s TYR 104 CO 0.80 -0.12 0.43 0.41 -1.57 0.00 0.00 175.55 175.49 1ocz n GLY 105 N 3.33 -1.56 3.77 0.71 0.00 -1.26 -4.79 105.19 105.39 1ocz n GLY 105 Ca 0.03 -1.63 -0.38 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 -3.94 4.30 0.69 1.61 0.04 -1.26 -5.03 135.00 131.41 1ocz s PRO 106 Ca 0.25 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 1ocz s PRO 106 Cb -0.01 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.78 1ocz s PRO 106 CO 0.18 -0.04 1.06 0.96 0.04 0.00 0.00 177.00 179.20 1ocz s ILE 107 N -1.49 4.06 0.45 0.56 -0.00 -1.26 -4.96 121.20 118.56 1ocz s ILE 107 Ca 0.54 0.68 -0.22 0.00 -0.00 0.00 0.00 60.65 61.65 1ocz s ILE 107 Cb -0.25 -3.43 -0.11 0.00 -0.00 0.00 0.00 42.46 38.67 1ocz s ILE 107 CO 0.32 -0.86 0.66 -0.81 -0.00 0.00 0.00 174.94 174.24 1ocz n PRO 108 N -3.06 0.73 0.14 0.37 -0.04 -1.26 -4.83 135.00 127.05 1ocz n PRO 108 Ca 0.07 0.27 0.10 0.00 -0.04 0.00 0.00 63.50 63.90 1ocz n PRO 108 Cb 0.54 -1.68 0.51 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.97 0.65 1.23 0.54 1.44 -1.26 -2.02 115.22 114.84 1ocz n HIS 109 Ca 0.11 0.33 0.04 0.00 -2.01 0.00 0.00 57.72 56.19 1ocz n HIS 109 Cb 0.41 -1.03 0.24 0.00 0.12 0.00 0.00 29.99 29.74 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 -2.16 0.00 0.72 0.61 -2.24 -1.26 -2.44 114.28 107.51 1ocz n THR 110 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1ocz n THR 110 Cb 0.05 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 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 -0.71 0.00 -1.70 4.78 3.72 -0.85 -4.51 117.46 118.19 1ocz n PHE 111 Ca 0.06 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.07 1ocz n PHE 111 Cb 0.03 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.82 1.53 -0.25 -1.08 1.02 -1.02 -4.79 120.64 115.23 1ocz n GLU 112 Ca 0.05 0.56 -0.04 0.00 -0.02 0.00 0.00 57.16 57.71 1ocz n GLU 112 Cb 0.28 -2.41 0.02 0.00 -0.02 0.00 0.00 31.44 29.31 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 1.35 -0.11 -0.64 3.49 5.08 -1.94 -2.37 114.58 119.43 1ocz h GLU 113 Ca -0.49 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1ocz h GLU 113 Cb 1.32 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1ocz h GLU 113 CO 0.56 -0.07 0.42 1.49 -1.00 0.00 0.00 179.01 180.41 1ocz h GLU 114 N -0.11 0.85 -0.78 2.33 4.81 -1.98 -2.26 114.58 117.44 1ocz h GLU 114 Ca 0.27 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1ocz h GLU 114 Cb 0.56 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 1ocz h GLU 114 CO -0.77 0.57 0.50 2.35 -0.73 0.00 0.00 179.01 180.93 1ocz h TRP 115 N 0.87 0.93 -0.10 0.92 2.91 -1.78 0.25 115.95 119.95 1ocz h TRP 115 Ca 0.23 0.02 -0.11 0.00 1.13 0.00 0.00 58.89 60.17 1ocz h TRP 115 Cb -0.09 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.24 1ocz h TRP 115 CO -0.03 0.53 -0.41 -0.39 -1.03 0.00 0.00 178.44 177.12 1ocz h VAL 116 N 0.97 1.31 -0.11 2.65 -1.51 -1.12 0.70 116.25 119.14 1ocz h VAL 116 Ca 0.32 -1.52 -0.06 0.00 -1.23 0.00 0.00 66.70 64.21 1ocz h VAL 116 Cb 0.02 1.69 -0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1ocz h VAL 116 CO -0.12 0.45 -0.17 0.00 -1.23 0.00 0.00 177.57 176.50 1ocz h ALA 117 N 1.38 0.17 0.34 5.19 0.00 -0.78 0.48 119.26 126.05 1ocz h ALA 117 Ca 0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1ocz h ALA 117 Cb 0.81 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ocz h ALA 117 CO 0.06 0.09 -0.18 0.87 0.00 0.00 0.00 179.25 180.09 1ocz h LYS 118 N -0.10 -0.47 -0.73 0.00 1.79 -0.36 -1.55 116.57 115.15 1ocz h LYS 118 Ca 0.01 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 1ocz h LYS 118 Cb 0.73 0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.44 1ocz h LYS 118 CO 0.04 -0.31 0.48 0.37 -1.08 0.00 0.00 179.45 178.95 1ocz h GLN 119 N -0.49 0.67 -0.33 3.15 4.15 0.54 -0.68 115.11 122.12 1ocz h GLN 119 Ca -0.04 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.19 1ocz h GLN 119 Cb 0.39 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1ocz h GLN 119 CO 0.05 0.45 -0.37 1.15 -1.93 0.00 0.00 178.83 178.18 1ocz h THR 120 N 0.69 1.28 -0.13 2.39 2.02 0.37 -0.20 112.91 119.35 1ocz h THR 120 Ca 0.33 -1.54 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 1ocz h THR 120 Cb 0.37 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1ocz h THR 120 CO -0.11 0.51 0.06 0.50 0.37 0.00 0.00 175.52 176.84 1ocz h LYS 121 N 0.65 0.18 -0.23 6.66 1.63 -0.17 -0.32 116.57 124.97 1ocz h LYS 121 Ca 0.06 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1ocz h LYS 121 Cb 0.93 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1ocz h LYS 121 CO 0.08 0.24 0.09 -0.09 -3.45 0.00 0.00 179.45 176.32 1ocz h ARG 122 N 0.08 0.19 -0.98 1.90 2.43 -0.91 0.24 114.38 117.33 1ocz h ARG 122 Ca 0.04 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1ocz h ARG 122 Cb 0.12 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 1ocz h ARG 122 CO -0.01 0.13 0.64 0.52 -1.51 0.00 0.00 179.97 179.75 1ocz h MET 123 N 0.20 1.22 0.00 0.20 2.86 -0.90 0.93 114.93 119.45 1ocz h MET 123 Ca 0.10 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1ocz h MET 123 Cb 0.06 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1ocz h MET 123 CO -0.10 0.81 -0.31 -0.07 1.06 0.00 0.00 176.91 178.31 1ocz h LEU 124 N 1.26 0.00 -0.16 1.22 3.38 -0.43 0.11 115.31 120.69 1ocz h LEU 124 Ca 0.38 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 1ocz h LEU 124 Cb -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ocz h LEU 124 CO -0.11 0.31 -0.09 0.44 0.09 0.00 0.00 178.44 179.07 1ocz h ASP 125 N 0.00 0.35 0.19 -0.43 5.19 0.19 -2.90 116.42 119.01 1ocz h ASP 125 Ca -0.00 -0.43 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1ocz h ASP 125 Cb 0.59 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1ocz h ASP 125 CO 0.04 0.70 -0.00 1.15 -3.12 0.00 0.00 179.24 178.01 1ocz n MET 126 N -4.61 0.82 -3.14 3.56 0.00 -0.43 -4.92 117.12 108.39 1ocz n MET 126 Ca -0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 57.70 57.49 1ocz n MET 126 Cb 0.32 -1.50 0.06 0.00 0.00 0.00 0.00 33.22 32.09 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 -1.08 -5.03 -1.68 3.17 4.01 -0.69 -4.91 118.16 111.96 1ocz n LYS 127 Ca 0.21 0.56 -0.49 0.00 -0.51 0.00 0.00 58.31 58.08 1ocz n LYS 127 Cb 0.16 -4.75 -0.05 0.00 -0.51 0.00 0.00 35.03 29.87 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 -3.81 0.35 -3.40 -0.18 0.31 0.28 -2.43 118.33 109.46 1ocz n VAL 128 Ca -0.06 -0.06 -0.14 0.00 -0.01 0.00 0.00 64.34 64.06 1ocz n VAL 128 Cb 0.56 -1.65 0.02 0.00 -0.91 0.00 0.00 33.84 31.86 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 5.35 -2.59 0.09 3.52 0.00 -1.26 -0.77 120.51 124.84 1ocz n ALA 129 Ca 0.21 -0.11 -0.13 0.00 0.00 0.00 0.00 53.44 53.41 1ocz n ALA 129 Cb 0.27 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.37 -0.22 0.00 0.00 0.13 -1.83 -1.06 132.00 128.65 1ocz h PRO 130 Ca -0.36 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.76 1ocz h PRO 130 Cb 1.21 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ocz h PRO 130 CO 0.37 0.11 -0.14 0.82 -0.23 0.00 0.00 178.00 178.93 1ocz h ILE 131 N -0.57 0.86 0.00 -3.56 2.04 -1.92 -3.11 117.51 111.25 1ocz h ILE 131 Ca -0.02 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1ocz h ILE 131 Cb 0.43 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1ocz h ILE 131 CO 0.04 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1ocz n GLN 132 N -4.03 0.00 0.00 2.37 6.02 -1.26 -4.94 117.38 115.54 1ocz n GLN 132 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1ocz n GLN 132 Cb 0.22 -0.03 0.00 0.00 1.02 0.00 0.00 30.24 31.45 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 -0.74 -3.05 0.22 1.08 0.00 -1.22 -4.56 105.19 96.92 1ocz n GLY 133 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.87 0.00 0.31 1.61 7.35 -0.46 -4.72 117.46 120.67 1ocz n PHE 134 Ca 0.00 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.85 1ocz n PHE 134 Cb 0.00 0.00 0.84 0.00 0.35 0.00 0.00 39.48 40.67 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 0.31 -2.13 0.02 -0.29 0.39 113.55 111.86 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 -1.96 2.14 -1.47 3.77 0.00 -1.14 -1.85 120.51 120.00 1ocz n ALA 136 Ca -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1ocz n ALA 136 Cb 0.38 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.23 1.91 -4.32 0.00 5.02 0.14 -4.94 118.16 114.74 1ocz n LYS 137 Ca 0.11 -3.23 -0.20 0.00 -2.02 0.00 0.00 58.31 52.98 1ocz n LYS 137 Cb 0.15 -1.86 -0.13 0.00 -0.02 0.00 0.00 35.03 33.17 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 -3.28 1.19 -0.95 2.13 -0.11 -0.77 -1.66 118.94 115.49 1ocz s TRP 138 Ca 0.46 -0.36 -0.07 0.00 1.22 0.00 0.00 56.10 57.34 1ocz s TRP 138 Cb 0.41 -0.71 0.24 0.00 -1.50 0.00 0.00 33.47 31.92 1ocz s TRP 138 CO -0.00 0.03 0.89 0.34 -4.62 0.00 0.00 176.95 173.59 1ocz s ASP 139 N -1.19 6.64 0.65 5.86 -1.08 0.13 -4.56 116.67 123.12 1ocz s ASP 139 Ca 0.01 -3.39 0.32 0.00 -0.52 0.00 0.00 52.55 48.96 1ocz s ASP 139 Cb -0.08 -2.09 1.75 0.00 -1.46 0.00 0.00 42.92 41.04 1ocz s ASP 139 CO 0.01 -0.32 2.01 1.88 0.52 0.00 0.00 175.17 179.28 1ocz h TYR 140 N 6.72 0.00 0.00 -5.34 0.05 -1.92 1.06 116.97 117.54 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 0.90 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.64 1ocz h TYR 140 CO 0.80 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 177.66 1ocz n ASP 141 N -3.13 0.00 -0.04 3.88 8.00 -1.26 -3.99 116.55 120.01 1ocz n ASP 141 Ca -0.01 0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.88 1ocz n ASP 141 Cb 0.36 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.64 0.76 -3.72 -1.24 5.02 -1.15 -4.86 118.16 111.33 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 -1.03 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 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 -0.44 -2.71 -3.60 4.39 3.02 0.36 -4.95 115.26 111.34 1ocz n ASN 143 Ca 0.00 -0.74 -0.11 0.00 -0.03 0.00 0.00 54.58 53.69 1ocz n ASN 143 Cb 0.02 -0.99 -0.04 0.00 -0.61 0.00 0.00 39.78 38.16 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 -5.55 1.08 -0.02 3.52 -1.05 -1.05 -4.98 118.70 110.64 1ocz s GLU 144 Ca 0.19 -0.56 -0.30 0.00 -0.15 0.00 0.00 54.97 54.15 1ocz s GLU 144 Cb -0.11 0.48 -0.07 0.00 -0.44 0.00 0.00 34.13 33.99 1ocz s GLU 144 CO 0.59 -0.42 1.80 -1.58 0.95 0.00 0.00 175.26 176.60 1ocz s TRP 145 N -3.45 1.67 0.28 4.83 0.52 -1.26 0.23 118.94 121.75 1ocz s TRP 145 Ca 0.00 -0.07 -0.29 0.00 0.02 0.00 0.00 56.10 55.77 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 -4.57 1.14 1.17 0.02 0.00 0.00 176.95 174.61 1ocz n LYS 146 N 7.35 1.58 0.00 4.98 4.81 -0.66 -4.77 118.16 131.46 1ocz n LYS 146 Ca 0.19 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1ocz n LYS 146 Cb 0.42 -2.02 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