#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n SER 2 N 0.00 1.21 0.00 0.00 2.88 -1.26 -5.19 113.62 111.26 1ocz n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ocz n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ocz n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ocz n ALA 3 N -3.00 0.00 -2.38 -1.46 0.00 -1.26 -5.10 120.51 107.32 1ocz n ALA 3 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1ocz n ALA 3 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1ocz n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ocz n ALA 4 N -0.08 2.53 -0.77 0.00 0.00 -1.26 -5.05 120.51 115.89 1ocz n ALA 4 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 53.44 52.39 1ocz n ALA 4 Cb 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 1ocz n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ocz n LYS 5 N -0.84 0.01 0.00 0.00 2.85 -1.26 -4.83 118.16 114.09 1ocz n LYS 5 Ca -0.19 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.27 1ocz n LYS 5 Cb 0.76 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1ocz n LYS 5 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ocz n GLY 6 N 4.77 0.76 3.17 2.58 0.00 -1.26 -4.63 105.19 110.58 1ocz n GLY 6 Ca 0.33 0.21 -0.25 0.00 0.00 0.00 0.00 46.02 46.31 1ocz n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ocz s ASP 7 N -1.58 2.05 0.00 1.61 2.15 -1.26 -4.95 116.67 114.69 1ocz s ASP 7 Ca 0.00 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1ocz s ASP 7 Cb 0.00 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 1ocz s ASP 7 CO 0.00 0.21 0.00 1.41 -0.17 0.00 0.00 175.17 176.62 1ocz n HIS 8 N 2.65 0.00 -2.70 -5.34 8.25 -1.26 -5.05 115.22 111.77 1ocz n HIS 8 Ca -0.15 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.29 1ocz n HIS 8 Cb 0.54 -0.61 0.11 0.00 1.12 0.00 0.00 29.99 31.16 1ocz n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ocz n GLY 9 N 1.31 1.91 3.57 -1.41 0.00 -1.26 -4.97 105.19 104.34 1ocz n GLY 9 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1ocz n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ocz s GLY 10 N -1.62 -0.34 0.00 -0.02 0.00 -1.26 -5.11 107.32 98.98 1ocz s GLY 10 Ca 0.14 1.90 0.00 0.00 0.00 0.00 0.00 44.72 46.76 1ocz s GLY 10 CO -0.11 1.07 0.00 -1.30 0.00 0.00 0.00 173.10 172.76 1ocz n THR 11 N 0.87 0.00 0.00 0.90 -2.24 -1.26 -4.91 114.28 107.64 1ocz n THR 11 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ocz n THR 11 Cb 0.58 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1ocz n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ocz n GLY 12 N 0.12 2.69 0.37 3.38 0.00 -1.26 -4.80 105.19 105.68 1ocz n GLY 12 Ca 0.00 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1ocz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ocz h ALA 13 N 0.00 1.77 -0.75 4.61 0.00 -2.00 -0.76 119.26 122.13 1ocz h ALA 13 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ocz h ALA 13 Cb 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1ocz h ALA 13 CO 0.00 -0.04 0.48 -0.09 0.00 0.00 0.00 179.25 179.60 1ocz h ARG 14 N 0.75 0.91 -0.69 0.00 2.43 -1.99 -0.83 114.38 114.96 1ocz h ARG 14 Ca 0.48 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.57 1ocz h ARG 14 Cb 0.74 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1ocz h ARG 14 CO -0.25 0.60 0.31 1.15 -1.51 0.00 0.00 179.97 180.27 1ocz h THR 15 N 0.94 1.24 -0.16 0.20 2.02 -1.47 -0.86 112.91 114.81 1ocz h THR 15 Ca 0.30 -0.69 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 1ocz h THR 15 Cb 0.01 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1ocz h THR 15 CO -0.11 0.28 -0.38 -0.50 0.37 0.00 0.00 175.52 175.19 1ocz h TRP 16 N 0.96 0.40 -0.45 3.16 4.06 -0.83 -1.82 115.95 121.43 1ocz h TRP 16 Ca 0.23 -0.11 -0.10 0.00 2.06 0.00 0.00 58.89 60.98 1ocz h TRP 16 Cb 0.16 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.21 1ocz h TRP 16 CO 0.01 0.68 -0.09 -0.09 -3.56 0.00 0.00 178.44 175.39 1ocz h ARG 17 N 0.29 0.86 0.09 0.49 1.12 -0.90 -0.91 114.38 115.42 1ocz h ARG 17 Ca 0.03 -0.32 0.02 0.00 -1.11 0.00 0.00 59.98 58.60 1ocz h ARG 17 Cb 0.80 -0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.68 1ocz h ARG 17 CO 0.06 0.95 -0.19 0.35 -3.11 0.00 0.00 179.97 178.04 1ocz h PHE 18 N 0.70 -0.50 -0.66 2.20 3.57 -0.86 -1.65 116.94 119.75 1ocz h PHE 18 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1ocz h PHE 18 Cb 0.62 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 1ocz h PHE 18 CO 0.05 -0.28 0.26 -0.07 -2.23 0.00 0.00 178.31 176.04 1ocz h LEU 19 N -0.35 0.88 0.15 0.59 3.38 -1.21 0.75 115.31 119.50 1ocz h LEU 19 Ca 0.03 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1ocz h LEU 19 Cb 0.38 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1ocz h LEU 19 CO -0.12 0.79 -0.45 0.74 0.09 0.00 0.00 178.44 179.49 1ocz h THR 20 N 0.95 0.12 0.00 0.22 2.02 -0.27 0.14 112.91 116.09 1ocz h THR 20 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1ocz h THR 20 Cb 0.18 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1ocz h THR 20 CO -0.02 0.00 -0.62 -0.26 0.37 0.00 0.00 175.52 174.99 1ocz h PHE 21 N -0.70 0.00 0.00 3.16 0.04 -1.26 -0.42 116.94 117.76 1ocz h PHE 21 Ca 0.01 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.51 1ocz h PHE 21 Cb 0.71 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.81 1ocz h PHE 21 CO -0.38 0.00 -1.76 0.41 -0.60 0.00 0.00 178.31 175.99 1ocz n GLY 22 N 1.25 -1.04 0.72 -1.45 0.00 0.26 -4.51 105.19 100.41 1ocz n GLY 22 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ocz n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ocz n LEU 23 N -2.94 0.00 -0.06 0.99 7.94 0.29 -4.79 117.00 118.43 1ocz n LEU 23 Ca -0.17 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.71 1ocz n LEU 23 Cb 1.01 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.95 1ocz n LEU 23 CO 0.44 -0.30 0.32 0.00 -1.11 0.00 0.00 177.39 176.75 1ocz n ALA 24 N -1.89 -0.09 -0.10 1.96 0.00 -0.04 -1.96 120.51 118.39 1ocz n ALA 24 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 1ocz n ALA 24 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 1ocz n ALA 24 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ocz h LEU 25 N 0.00 0.40 -1.53 0.00 3.38 -1.30 -2.48 115.31 113.78 1ocz h LEU 25 Ca 0.02 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.04 1ocz h LEU 25 Cb 0.06 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1ocz h LEU 25 CO -0.13 0.39 0.52 -0.65 0.09 0.00 0.00 178.44 178.67 1ocz h PRO 26 N 0.38 0.44 0.67 1.13 0.11 -1.63 -0.42 132.00 132.69 1ocz h PRO 26 Ca 0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1ocz h PRO 26 Cb 0.09 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1ocz h PRO 26 CO -0.02 0.29 -0.44 0.77 -0.21 0.00 0.00 178.00 178.40 1ocz h SER 27 N 0.45 -1.12 -0.93 -2.05 0.02 -0.99 0.22 113.55 109.16 1ocz h SER 27 Ca 0.39 0.07 0.27 0.00 -0.84 0.00 0.00 61.79 61.67 1ocz h SER 27 Cb 0.85 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 1ocz h SER 27 CO -0.13 -0.66 0.70 0.58 -1.14 0.00 0.00 176.83 176.17 1ocz h VAL 28 N -1.05 0.48 0.02 2.27 2.07 -0.95 0.20 116.25 119.30 1ocz h VAL 28 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1ocz h VAL 28 Cb 0.85 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1ocz h VAL 28 CO 0.08 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.66 1ocz h ALA 29 N 1.48 -0.02 0.32 1.67 0.00 0.30 -1.57 119.26 121.44 1ocz h ALA 29 Ca 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ocz h ALA 29 Cb 1.83 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1ocz h ALA 29 CO -0.00 -0.16 -0.48 -0.07 0.00 0.00 0.00 179.25 178.53 1ocz h LEU 30 N -0.72 -1.37 -2.02 0.00 3.38 0.23 -0.34 115.31 114.47 1ocz h LEU 30 Ca -0.00 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.24 1ocz h LEU 30 Cb 0.68 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1ocz h LEU 30 CO 0.00 -0.59 0.41 0.00 0.09 0.00 0.00 178.44 178.35 1ocz h THR 32 N 0.00 1.30 0.24 0.00 2.02 -0.30 -0.28 112.91 115.88 1ocz h THR 32 Ca 0.24 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 64.97 1ocz h THR 32 Cb 1.05 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1ocz h THR 32 CO -0.00 0.74 -0.11 0.25 0.37 0.00 0.00 175.52 176.76 1ocz h LEU 33 N 0.24 -0.27 -0.23 2.58 5.85 0.58 -2.60 115.31 121.45 1ocz h LEU 33 Ca -0.18 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1ocz h LEU 33 Cb 1.88 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.91 1ocz h LEU 33 CO 0.23 -0.03 -0.52 -1.13 -0.34 0.00 0.00 178.44 176.65 1ocz h ASN 34 N -0.51 -1.66 0.04 1.25 -1.24 -0.80 0.60 115.58 113.26 1ocz h ASN 34 Ca -0.03 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1ocz h ASN 34 Cb 0.38 0.67 0.00 0.00 0.73 0.00 0.00 38.32 40.10 1ocz h ASN 34 CO 0.05 -0.44 0.00 -1.20 -1.29 0.00 0.00 177.43 174.55 1ocz n SER 35 N -5.42 0.20 -0.00 1.15 7.64 -0.12 -0.58 113.62 116.49 1ocz n SER 35 Ca -0.04 0.59 0.04 0.00 1.01 0.00 0.00 58.87 60.47 1ocz n SER 35 Cb 0.37 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 1ocz n SER 35 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1ocz n TRP 36 N -1.77 0.00 1.72 1.43 2.14 -0.06 -3.41 117.44 117.49 1ocz n TRP 36 Ca -0.00 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.63 1ocz n TRP 36 Cb 0.02 -0.07 0.32 0.00 -0.81 0.00 0.00 31.31 30.78 1ocz n TRP 36 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1ocz n LEU 37 N -1.40 0.54 -0.03 5.67 7.94 0.19 -2.09 117.00 127.82 1ocz n LEU 37 Ca 0.01 -0.25 0.00 0.00 -1.11 0.00 0.00 56.01 54.66 1ocz n LEU 37 Cb 0.16 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.07 1ocz n LEU 37 CO 0.18 0.12 0.25 1.41 -1.11 0.00 0.00 177.39 178.24 1ocz n HIS 38 N -0.34 0.00 -1.18 1.96 8.25 -1.11 -4.98 115.22 117.82 1ocz n HIS 38 Ca 0.10 -0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.24 1ocz n HIS 38 Cb 0.12 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 1ocz n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ocz n SER 39 N -0.00 7.68 0.00 0.41 3.41 -0.89 -4.77 113.62 119.46 1ocz n SER 39 Ca 0.00 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1ocz n SER 39 Cb 0.51 -1.47 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 1ocz n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocz n GLY 40 N 3.40 0.75 3.64 5.00 0.00 -1.26 -5.03 105.19 111.69 1ocz n GLY 40 Ca 0.68 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.66 1ocz n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ocz s HIS 41 N 0.88 -0.67 0.38 1.61 3.76 -1.26 -5.15 115.29 114.84 1ocz s HIS 41 Ca 0.00 1.38 -0.25 0.00 -0.15 0.00 0.00 55.06 56.04 1ocz s HIS 41 Cb 0.00 0.41 -0.09 0.00 1.11 0.00 0.00 32.58 34.01 1ocz s HIS 41 CO 0.00 -0.33 1.05 -0.98 -0.85 0.00 0.00 174.74 173.64 1ocz s ARG 42 N 1.20 4.25 0.08 1.40 3.03 -1.26 -5.00 118.95 122.66 1ocz s ARG 42 Ca -0.07 1.56 -0.30 0.00 2.03 0.00 0.00 55.73 58.94 1ocz s ARG 42 Cb -0.04 -2.66 -0.05 0.00 -1.03 0.00 0.00 34.95 31.17 1ocz s ARG 42 CO -0.14 -0.07 1.10 -1.21 -1.13 0.00 0.00 175.30 173.84 1ocz s GLU 43 N -2.30 4.53 -0.11 3.89 0.41 -1.26 -4.94 118.70 118.92 1ocz s GLU 43 Ca 0.55 1.64 -0.37 0.00 -0.41 0.00 0.00 54.97 56.38 1ocz s GLU 43 Cb -0.24 -3.36 -0.14 0.00 -1.78 0.00 0.00 34.13 28.61 1ocz s GLU 43 CO 0.30 -0.08 1.72 2.89 -0.49 0.00 0.00 175.26 179.60 1ocz n ARG 44 N 3.44 1.65 -1.60 1.61 1.85 -1.26 -4.84 116.66 117.51 1ocz n ARG 44 Ca 0.06 0.60 -0.48 0.00 -1.00 0.00 0.00 57.85 57.04 1ocz n ARG 44 Cb 0.48 -2.35 -0.04 0.00 -1.05 0.00 0.00 32.46 29.50 1ocz n ARG 44 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 1ocz n PRO 45 N 5.24 1.36 -1.70 2.89 -0.02 -1.26 -4.89 135.00 136.62 1ocz n PRO 45 Ca 0.23 0.48 -0.44 0.00 -2.02 0.00 0.00 63.50 61.76 1ocz n PRO 45 Cb 0.22 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 1ocz n PRO 45 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ocz n ALA 46 N 1.47 1.95 -2.58 3.55 0.00 -1.26 -4.91 120.51 118.72 1ocz n ALA 46 Ca 0.14 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.56 1ocz n ALA 46 Cb 0.27 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.29 1ocz n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ocz s PHE 47 N 0.50 3.34 -0.05 0.00 2.19 -1.26 -5.02 117.98 117.68 1ocz s PHE 47 Ca 0.72 1.40 -0.02 0.00 0.33 0.00 0.00 56.93 59.36 1ocz s PHE 47 Cb -0.59 -3.30 0.03 0.00 -1.31 0.00 0.00 43.02 37.85 1ocz s PHE 47 CO 0.42 -0.75 0.04 -1.50 1.83 0.00 0.00 175.22 175.26 1ocz s ILE 48 N 2.25 0.04 -0.22 3.12 1.10 -1.26 -5.06 121.20 121.17 1ocz s ILE 48 Ca 0.51 0.33 -0.02 0.00 -0.51 0.00 0.00 60.65 60.97 1ocz s ILE 48 Cb -0.21 -0.26 -0.04 0.00 0.15 0.00 0.00 42.46 42.09 1ocz s ILE 48 CO 0.19 0.20 1.40 -0.81 -2.11 0.00 0.00 174.94 173.81 1ocz n PRO 49 N 5.24 0.73 -1.75 3.50 -0.04 -1.26 -4.92 135.00 136.50 1ocz n PRO 49 Ca -0.05 -0.61 -0.40 0.00 -0.04 0.00 0.00 63.50 62.41 1ocz n PRO 49 Cb 0.50 -1.93 0.02 0.00 -0.04 0.00 0.00 33.50 32.05 1ocz n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ocz n TYR 50 N 3.79 2.51 0.10 0.54 4.01 -1.26 -4.95 117.16 121.91 1ocz n TYR 50 Ca 0.16 0.45 -0.01 0.00 -0.16 0.00 0.00 57.90 58.33 1ocz n TYR 50 Cb 0.14 -2.43 -0.04 0.00 -0.31 0.00 0.00 39.34 36.71 1ocz n TYR 50 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ocz h HIS 51 N 2.09 0.00 -0.11 -0.72 3.86 -2.01 -3.27 115.15 114.99 1ocz h HIS 51 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1ocz h HIS 51 Cb 1.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1ocz h HIS 51 CO 0.48 0.70 0.00 -2.39 0.86 0.00 0.00 177.93 177.59 1ocz n HIS 52 N -3.26 0.33 -4.33 2.45 1.44 -1.26 -4.73 115.22 105.86 1ocz n HIS 52 Ca 0.01 -0.12 -0.18 0.00 -2.01 0.00 0.00 57.72 55.42 1ocz n HIS 52 Cb 0.82 -0.13 -0.10 0.00 0.12 0.00 0.00 29.99 30.70 1ocz n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ocz s LEU 53 N -0.62 1.65 -1.02 2.39 1.43 -1.23 -4.83 118.68 116.44 1ocz s LEU 53 Ca 0.10 -1.47 -0.04 0.00 -1.03 0.00 0.00 54.13 51.69 1ocz s LEU 53 Cb 0.07 0.11 0.03 0.00 0.03 0.00 0.00 46.19 46.43 1ocz s LEU 53 CO 0.04 -0.81 0.20 0.54 0.23 0.00 0.00 176.35 176.55 1ocz n ARG 54 N -0.53 -2.78 -1.74 1.70 3.00 -1.26 -4.84 116.66 110.21 1ocz n ARG 54 Ca 0.00 0.47 -0.42 0.00 -0.01 0.00 0.00 57.85 57.90 1ocz n ARG 54 Cb 0.66 -5.10 -0.01 0.00 0.00 0.00 0.00 32.46 28.01 1ocz n ARG 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1ocz n ILE 55 N -3.51 1.77 -3.34 0.55 5.41 -1.26 -4.74 119.36 114.24 1ocz n ILE 55 Ca -0.07 -0.44 -0.13 0.00 1.00 0.00 0.00 62.75 63.11 1ocz n ILE 55 Cb 0.57 -1.82 -0.07 0.00 -0.71 0.00 0.00 39.64 37.60 1ocz n ILE 55 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1ocz s ARG 56 N -1.67 0.43 -0.01 0.38 1.81 -1.26 -4.96 118.95 113.67 1ocz s ARG 56 Ca 0.57 -0.14 0.18 0.00 -1.72 0.00 0.00 55.73 54.61 1ocz s ARG 56 Cb -0.52 -0.48 -0.23 0.00 -0.45 0.00 0.00 34.95 33.27 1ocz s ARG 56 CO 0.60 -1.07 0.63 0.25 -0.68 0.00 0.00 175.30 175.03 1ocz n THR 57 N 5.12 0.00 -3.64 0.02 -2.24 -1.26 -4.95 114.28 107.33 1ocz n THR 57 Ca 0.02 -0.21 -0.07 0.00 -2.27 0.00 0.00 64.05 61.52 1ocz n THR 57 Cb 0.48 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 1ocz n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ocz s LYS 58 N -2.93 0.61 0.27 -0.78 2.20 -1.26 -5.15 119.74 112.70 1ocz s LYS 58 Ca 0.01 0.96 -0.31 0.00 -0.36 0.00 0.00 55.97 56.28 1ocz s LYS 58 Cb 0.13 0.17 -0.12 0.00 -1.51 0.00 0.00 37.83 36.50 1ocz s LYS 58 CO 0.75 -0.11 1.53 -0.35 -0.36 0.00 0.00 175.35 176.81 1ocz n PRO 59 N 3.69 2.46 -1.83 4.03 -0.04 -1.26 -4.96 135.00 137.09 1ocz n PRO 59 Ca -0.18 0.88 -0.41 0.00 -0.04 0.00 0.00 63.50 63.74 1ocz n PRO 59 Cb 0.58 -2.62 -0.02 0.00 -0.04 0.00 0.00 33.50 31.40 1ocz n PRO 59 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ocz s PHE 60 N 0.02 2.79 0.00 0.54 0.08 -1.13 -4.86 117.98 115.42 1ocz s PHE 60 Ca 0.66 0.87 -0.01 0.00 0.12 0.00 0.00 56.93 58.57 1ocz s PHE 60 Cb -0.55 -4.01 -0.02 0.00 -0.57 0.00 0.00 43.02 37.86 1ocz s PHE 60 CO 0.48 -3.34 1.65 -1.13 -0.10 0.00 0.00 175.22 172.78 1ocz n SER 61 N 2.05 3.98 -3.63 1.36 3.41 -1.26 -3.81 113.62 115.72 1ocz n SER 61 Ca 0.07 -2.07 -0.11 0.00 -0.26 0.00 0.00 58.87 56.50 1ocz n SER 61 Cb 0.38 -0.87 -0.07 0.00 -0.26 0.00 0.00 64.21 63.39 1ocz n SER 61 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1ocz s TRP 62 N 0.62 -0.62 0.00 7.33 -2.14 -1.26 -5.05 118.94 117.83 1ocz s TRP 62 Ca 0.06 1.49 0.00 0.00 2.66 0.00 0.00 56.10 60.31 1ocz s TRP 62 Cb 0.03 0.33 0.00 0.00 -3.10 0.00 0.00 33.47 30.73 1ocz s TRP 62 CO 0.00 -0.30 0.00 0.41 -2.66 0.00 0.00 176.95 174.40 1ocz n GLY 63 N 2.49 0.88 0.55 3.67 0.00 -1.26 -2.28 105.19 109.23 1ocz n GLY 63 Ca -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.10 1ocz n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ocz n ASP 64 N 1.52 1.32 -2.74 1.61 5.75 -1.26 -4.84 116.55 117.92 1ocz n ASP 64 Ca 0.00 -2.09 -0.19 0.00 -0.01 0.00 0.00 54.79 52.50 1ocz n ASP 64 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1ocz n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ocz n GLY 65 N 0.23 -0.50 0.00 6.12 0.00 -0.97 -4.74 105.19 105.33 1ocz n GLY 65 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ocz n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ocz n ASN 66 N -2.12 0.00 -4.06 1.61 5.15 -1.26 -2.85 115.26 111.73 1ocz n ASN 66 Ca -0.14 -1.00 -0.32 0.00 -0.60 0.00 0.00 54.58 52.53 1ocz n ASN 66 Cb 0.62 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.71 1ocz n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1ocz s HIS 67 N 0.00 2.56 0.73 1.20 3.76 -1.26 -4.89 115.29 117.39 1ocz s HIS 67 Ca 0.00 -1.55 -0.16 0.00 -0.15 0.00 0.00 55.06 53.20 1ocz s HIS 67 Cb 0.00 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 31.92 1ocz s HIS 67 CO 0.00 -0.76 0.87 0.25 -0.85 0.00 0.00 174.74 174.25 1ocz n THR 68 N 4.67 2.42 -0.21 1.30 -2.24 -1.26 -4.91 114.28 114.05 1ocz n THR 68 Ca -0.18 -0.36 0.02 0.00 -2.27 0.00 0.00 64.05 61.26 1ocz n THR 68 Cb 0.49 -1.01 0.12 0.00 -2.10 0.00 0.00 70.33 67.83 1ocz n THR 68 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1ocz h PHE 69 N -0.37 0.13 -0.90 4.78 3.57 -1.99 -1.85 116.94 120.31 1ocz h PHE 69 Ca -0.47 0.04 -0.62 0.00 3.53 0.00 0.00 57.97 60.45 1ocz h PHE 69 Cb 1.33 0.04 -0.34 0.00 2.79 0.00 0.00 35.95 39.77 1ocz h PHE 69 CO 0.39 -0.09 0.25 1.19 -2.23 0.00 0.00 178.31 177.83 1ocz n PHE 70 N -5.18 3.03 -1.68 0.41 3.01 -1.26 -5.01 117.46 110.77 1ocz n PHE 70 Ca 0.10 -2.71 -0.50 0.00 1.01 0.00 0.00 57.45 55.35 1ocz n PHE 70 Cb 0.36 -1.04 -0.05 0.00 -0.01 0.00 0.00 39.48 38.74 1ocz n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1ocz n HIS 71 N -0.85 2.25 -3.90 1.38 -0.00 -0.70 -4.94 115.22 108.46 1ocz n HIS 71 Ca 0.56 0.13 -0.34 0.00 0.46 0.00 0.00 57.72 58.53 1ocz n HIS 71 Cb 0.79 -2.61 -0.13 0.00 -0.12 0.00 0.00 29.99 27.92 1ocz n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1ocz s ASN 72 N 3.58 4.97 0.34 0.26 3.84 -1.26 -5.01 114.94 121.67 1ocz s ASN 72 Ca 0.92 -1.94 0.14 0.00 0.21 0.00 0.00 52.86 52.20 1ocz s ASN 72 Cb -0.77 -1.72 1.12 0.00 -0.55 0.00 0.00 41.25 39.33 1ocz s ASN 72 CO 0.53 -0.42 1.54 -2.65 -2.79 0.00 0.00 177.10 173.31 1ocz n PRO 73 N 4.46 -0.07 0.08 0.43 -0.02 -1.26 -0.32 135.00 138.30 1ocz n PRO 73 Ca -0.02 1.39 -0.13 0.00 -2.02 0.00 0.00 63.50 62.72 1ocz n PRO 73 Cb 0.42 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 1ocz n PRO 73 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ocz h ARG 74 N 0.00 -0.19 -0.01 -0.52 2.43 -1.98 -3.36 114.38 110.75 1ocz h ARG 74 Ca 0.75 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.93 1ocz h ARG 74 Cb 1.85 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.44 1ocz h ARG 74 CO -0.81 0.13 -0.64 1.33 -1.51 0.00 0.00 179.97 178.46 1ocz n VAL 75 N -5.03 0.00 -3.92 0.20 0.24 -0.96 -4.73 118.33 104.14 1ocz n VAL 75 Ca -0.09 -0.18 -0.34 0.00 -2.04 0.00 0.00 64.34 61.69 1ocz n VAL 75 Cb 0.22 1.14 -0.14 0.00 -1.47 0.00 0.00 33.84 33.59 1ocz n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1ocz s ASN 76 N -2.54 4.88 0.35 -1.34 0.02 0.57 -4.78 114.94 112.10 1ocz s ASN 76 Ca 0.13 -1.49 -0.20 0.00 -1.02 0.00 0.00 52.86 50.28 1ocz s ASN 76 Cb 0.16 -1.70 -0.10 0.00 0.02 0.00 0.00 41.25 39.63 1ocz s ASN 76 CO 0.64 -0.31 0.87 -2.16 0.02 0.00 0.00 177.10 176.16 1ocz s PRO 77 N 1.18 4.26 1.02 -0.60 0.04 -1.26 -4.45 135.00 135.19 1ocz s PRO 77 Ca -0.02 1.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.87 1ocz s PRO 77 Cb -0.20 -2.47 0.24 0.00 0.04 0.00 0.00 34.50 32.11 1ocz s PRO 77 CO -0.03 0.14 1.10 1.28 0.04 0.00 0.00 177.00 179.54 1ocz n LEU 78 N -0.12 0.00 0.09 -3.56 4.32 -0.42 -4.87 117.00 112.44 1ocz n LEU 78 Ca 0.04 -1.19 0.01 0.00 -0.02 0.00 0.00 56.01 54.85 1ocz n LEU 78 Cb 0.53 -0.92 0.33 0.00 -1.62 0.00 0.00 43.42 41.73 1ocz n LEU 78 CO 0.40 -1.74 0.84 -0.65 -1.22 0.00 0.00 177.39 175.02 1ocz h PRO 79 N 0.00 0.30 -0.24 3.23 0.11 -1.90 -2.92 132.00 130.57 1ocz h PRO 79 Ca -0.38 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1ocz h PRO 79 Cb 1.12 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ocz h PRO 79 CO 0.26 0.47 -0.33 1.79 -0.21 0.00 0.00 178.00 179.98 1ocz h THR 80 N 0.28 1.31 0.00 -1.15 1.35 -1.97 -3.47 112.91 109.27 1ocz h THR 80 Ca 0.05 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 1ocz h THR 80 Cb 0.48 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1ocz h THR 80 CO 0.03 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1ocz n GLY 81 N 0.27 -0.04 3.59 5.82 0.00 -1.10 -5.01 105.19 108.72 1ocz n GLY 81 Ca -0.05 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 1ocz n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ocz n TYR 82 N -0.67 0.73 -0.30 1.61 4.01 -1.26 -1.29 117.16 119.98 1ocz n TYR 82 Ca 0.00 0.49 0.05 0.00 -0.16 0.00 0.00 57.90 58.28 1ocz n TYR 82 Cb 0.00 -2.15 0.13 0.00 -0.31 0.00 0.00 39.34 37.01 1ocz n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1ocz h GLU 83 N 0.95 0.01 0.00 -0.72 4.39 -1.78 -3.44 114.58 113.99 1ocz h GLU 83 Ca -0.46 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1ocz h GLU 83 Cb 1.36 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1ocz h GLU 83 CO 0.53 0.01 0.00 1.17 -1.16 0.00 0.00 179.01 179.56