#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oco n SER 2 N 0.00 0.00 -3.60 0.00 2.88 -1.26 -5.19 113.62 106.45 1oco n SER 2 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1oco n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1oco n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1oco s ALA 3 N -1.23 -1.99 0.00 -1.46 0.00 -1.26 -5.14 121.76 110.69 1oco s ALA 3 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1oco s ALA 3 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.16 1oco s ALA 3 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.47 1oco n ALA 4 N 0.68 0.00 -3.58 0.00 0.00 -1.26 -5.11 120.51 111.25 1oco n ALA 4 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1oco n ALA 4 Cb 0.58 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 1oco n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1oco n LYS 5 N 0.00 2.54 0.00 0.00 2.85 -1.26 -5.03 118.16 117.26 1oco n LYS 5 Ca 0.00 -4.56 0.00 0.00 -1.05 0.00 0.00 58.31 52.70 1oco n LYS 5 Cb 0.00 -2.33 0.00 0.00 -0.65 0.00 0.00 35.03 32.05 1oco n LYS 5 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1oco n GLY 6 N 1.59 2.39 2.43 2.58 0.00 -1.26 -4.68 105.19 108.24 1oco n GLY 6 Ca 0.25 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1oco n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1oco n ASP 7 N 0.55 2.56 -1.99 1.61 2.03 -1.26 -4.98 116.55 115.06 1oco n ASP 7 Ca 0.00 -2.51 -0.02 0.00 0.52 0.00 0.00 54.79 52.78 1oco n ASP 7 Cb 0.00 0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 1oco n ASP 7 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1oco n HIS 8 N -0.81 -1.36 -2.72 -0.67 8.25 -1.26 -5.00 115.22 111.65 1oco n HIS 8 Ca -0.12 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 1oco n HIS 8 Cb 0.43 -2.47 0.05 0.00 1.12 0.00 0.00 29.99 29.13 1oco n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1oco n GLY 9 N -0.25 1.63 3.59 -1.41 0.00 -1.26 -4.98 105.19 102.51 1oco n GLY 9 Ca 0.03 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1oco n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oco s GLY 10 N -3.00 -0.25 0.00 -0.02 0.00 -1.26 -5.12 107.32 97.68 1oco s GLY 10 Ca 0.25 2.20 0.00 0.00 0.00 0.00 0.00 44.72 47.16 1oco s GLY 10 CO -0.07 1.28 0.00 -1.30 0.00 0.00 0.00 173.10 173.00 1oco n THR 11 N 1.20 0.00 0.00 0.90 -2.24 -1.26 -4.94 114.28 107.94 1oco n THR 11 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1oco n THR 11 Cb 0.57 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 1oco n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oco n GLY 12 N 1.66 3.66 0.35 3.38 0.00 -1.26 -4.76 105.19 108.23 1oco n GLY 12 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1oco n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oco h ALA 13 N 0.00 2.09 -0.38 4.61 0.00 -1.99 -0.10 119.26 123.49 1oco h ALA 13 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1oco h ALA 13 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1oco h ALA 13 CO 0.00 -0.23 -0.04 -0.09 0.00 0.00 0.00 179.25 178.90 1oco h ARG 14 N 0.33 0.70 -0.73 0.00 2.43 -1.98 -0.31 114.38 114.81 1oco h ARG 14 Ca 0.27 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1oco h ARG 14 Cb 0.60 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 1oco h ARG 14 CO -0.06 0.82 0.42 1.15 -1.51 0.00 0.00 179.97 180.78 1oco h THR 15 N 0.52 1.22 0.00 0.20 2.02 -1.59 -0.67 112.91 114.61 1oco h THR 15 Ca 0.10 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.69 1oco h THR 15 Cb 0.53 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1oco h THR 15 CO 0.03 0.24 -0.35 -0.50 0.37 0.00 0.00 175.52 175.30 1oco h TRP 16 N 1.01 0.00 0.00 3.16 4.06 -0.65 -1.79 115.95 121.74 1oco h TRP 16 Ca 0.26 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.08 1oco h TRP 16 Cb 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.15 1oco h TRP 16 CO -0.00 0.35 -0.62 -0.09 -3.56 0.00 0.00 178.44 174.52 1oco h ARG 17 N 0.00 0.00 0.03 0.49 1.12 -0.76 -1.86 114.38 113.41 1oco h ARG 17 Ca -0.00 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1oco h ARG 17 Cb 0.87 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.83 1oco h ARG 17 CO 0.05 0.62 -0.02 0.35 -3.11 0.00 0.00 179.97 177.86 1oco h PHE 18 N 0.00 -0.04 -0.39 2.20 3.57 -0.61 -2.50 116.94 119.17 1oco h PHE 18 Ca -0.01 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 1oco h PHE 18 Cb 1.37 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 1oco h PHE 18 CO 0.00 0.44 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.44 1oco h LEU 19 N -0.54 0.59 0.35 0.59 3.38 -1.36 0.33 115.31 118.65 1oco h LEU 19 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1oco h LEU 19 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1oco h LEU 19 CO 0.01 0.66 -0.17 0.74 0.09 0.00 0.00 178.44 179.77 1oco h THR 20 N 0.59 0.65 0.00 0.22 2.02 -1.20 -0.01 112.91 115.18 1oco h THR 20 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1oco h THR 20 Cb 0.38 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1oco h THR 20 CO 0.01 0.00 -0.41 -0.26 0.37 0.00 0.00 175.52 175.23 1oco h PHE 21 N -0.47 0.00 0.00 3.16 0.04 -1.34 0.10 116.94 118.43 1oco h PHE 21 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1oco h PHE 21 Cb 0.37 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1oco h PHE 21 CO -0.06 0.00 -1.64 0.41 -0.60 0.00 0.00 178.31 176.42 1oco n GLY 22 N 1.19 -0.90 1.40 -1.45 0.00 0.12 -4.40 105.19 101.14 1oco n GLY 22 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1oco n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1oco n LEU 23 N -1.99 0.21 -0.02 0.99 7.94 -0.46 -4.79 117.00 118.88 1oco n LEU 23 Ca -0.02 0.09 -0.02 0.00 -1.11 0.00 0.00 56.01 54.96 1oco n LEU 23 Cb 0.46 -0.01 -0.02 0.00 0.53 0.00 0.00 43.42 44.38 1oco n LEU 23 CO 0.42 -0.59 0.50 0.00 -1.11 0.00 0.00 177.39 176.61 1oco h ALA 24 N 0.00 -0.39 -0.68 1.96 0.00 -1.04 -1.98 119.26 117.13 1oco h ALA 24 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1oco h ALA 24 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1oco h ALA 24 CO 0.00 -0.43 0.45 -0.07 0.00 0.00 0.00 179.25 179.20 1oco h LEU 25 N -0.07 0.78 -1.76 0.00 3.38 -1.02 -2.17 115.31 114.45 1oco h LEU 25 Ca 0.01 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1oco h LEU 25 Cb 0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1oco h LEU 25 CO -0.09 0.56 0.37 -0.65 0.09 0.00 0.00 178.44 178.72 1oco h PRO 26 N 0.92 0.26 0.27 1.13 0.11 -1.71 -1.62 132.00 131.36 1oco h PRO 26 Ca 0.25 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1oco h PRO 26 Cb -0.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 30.95 1oco h PRO 26 CO -0.06 0.17 -0.13 0.77 -0.21 0.00 0.00 178.00 178.54 1oco h SER 27 N 0.27 -0.31 -0.63 -2.05 0.02 -0.71 -1.52 113.55 108.62 1oco h SER 27 Ca 0.25 -0.09 0.12 0.00 -0.84 0.00 0.00 61.79 61.23 1oco h SER 27 Cb 0.64 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.22 1oco h SER 27 CO -0.05 -0.10 0.42 0.58 -1.14 0.00 0.00 176.83 176.54 1oco h VAL 28 N -0.51 0.85 -0.27 2.27 2.07 -1.17 0.52 116.25 120.01 1oco h VAL 28 Ca -0.04 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 1oco h VAL 28 Cb 0.38 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1oco h VAL 28 CO 0.06 0.06 -0.30 0.00 0.02 0.00 0.00 177.57 177.42 1oco h ALA 29 N 1.69 0.40 0.83 1.67 0.00 -0.81 -0.66 119.26 122.38 1oco h ALA 29 Ca 0.30 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1oco h ALA 29 Cb 0.69 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1oco h ALA 29 CO -0.08 0.42 -0.40 -0.07 0.00 0.00 0.00 179.25 179.12 1oco h LEU 30 N 0.40 -0.94 -1.09 0.00 3.38 -0.27 -1.08 115.31 115.70 1oco h LEU 30 Ca 0.04 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.25 1oco h LEU 30 Cb 0.87 0.24 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1oco h LEU 30 CO 0.07 -0.60 0.61 0.00 0.09 0.00 0.00 178.44 178.62 1oco h THR 32 N 0.67 1.21 -0.02 0.00 2.02 -0.96 0.21 112.91 116.03 1oco h THR 32 Ca 0.58 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1oco h THR 32 Cb 1.04 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1oco h THR 32 CO -0.37 0.28 -0.01 0.25 0.37 0.00 0.00 175.52 176.04 1oco h LEU 33 N 0.52 0.04 -0.42 2.58 5.85 0.12 -1.37 115.31 122.63 1oco h LEU 33 Ca 0.11 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1oco h LEU 33 Cb 0.36 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1oco h LEU 33 CO 0.01 0.50 0.11 -1.13 -0.34 0.00 0.00 178.44 177.59 1oco h ASN 34 N -0.42 0.06 0.05 1.25 -1.24 -0.51 0.24 115.58 115.01 1oco h ASN 34 Ca 0.00 0.06 -0.05 0.00 0.71 0.00 0.00 56.30 57.02 1oco h ASN 34 Cb 0.49 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1oco h ASN 34 CO 0.00 0.07 -0.15 0.28 -1.29 0.00 0.00 177.43 176.34 1oco h SER 35 N 0.25 0.21 1.43 1.15 0.02 -0.53 -0.02 113.55 116.06 1oco h SER 35 Ca 0.20 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1oco h SER 35 Cb 0.23 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1oco h SER 35 CO -0.25 0.39 -0.34 -0.25 -1.14 0.00 0.00 176.83 175.24 1oco h TRP 36 N 0.21 0.00 0.07 3.45 2.91 -0.37 -3.16 115.95 119.07 1oco h TRP 36 Ca 0.04 0.00 -0.28 0.00 1.13 0.00 0.00 58.89 59.78 1oco h TRP 36 Cb 0.40 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 1oco h TRP 36 CO 0.01 0.00 -1.46 -0.07 -1.03 0.00 0.00 178.44 175.89 1oco h LEU 37 N 0.00 0.23 -3.91 0.65 4.07 0.13 -3.28 115.31 113.21 1oco h LEU 37 Ca 0.00 -0.33 -0.61 0.00 0.08 0.00 0.00 57.88 57.02 1oco h LEU 37 Cb 0.88 -0.08 -0.31 0.00 1.08 0.00 0.00 40.66 42.23 1oco h LEU 37 CO 0.00 1.28 0.41 1.41 -1.08 0.00 0.00 178.44 180.46 1oco n HIS 38 N -3.35 2.99 0.82 1.13 8.25 -0.51 -4.64 115.22 119.90 1oco n HIS 38 Ca -0.13 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.65 1oco n HIS 38 Cb 1.02 -1.10 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1oco n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1oco n SER 39 N -0.90 1.15 -4.58 0.41 3.41 -1.19 -4.83 113.62 107.09 1oco n SER 39 Ca 0.57 -1.63 -0.41 0.00 -0.26 0.00 0.00 58.87 57.13 1oco n SER 39 Cb 0.83 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1oco n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oco n GLY 40 N 0.20 0.71 3.64 5.00 0.00 -1.26 -4.89 105.19 108.58 1oco n GLY 40 Ca 0.00 0.75 -0.43 0.00 0.00 0.00 0.00 46.02 46.34 1oco n GLY 40 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oco s HIS 41 N 9.61 1.80 0.64 1.61 2.46 -1.26 -4.97 115.29 125.18 1oco s HIS 41 Ca 1.01 0.25 -0.17 0.00 0.47 0.00 0.00 55.06 56.62 1oco s HIS 41 Cb -0.31 -4.00 -0.01 0.00 -0.13 0.00 0.00 32.58 28.13 1oco s HIS 41 CO 0.33 -3.85 1.20 -0.98 -2.47 0.00 0.00 174.74 168.97 1oco s ARG 42 N 4.64 2.70 0.29 2.88 1.04 -1.26 -4.98 118.95 124.26 1oco s ARG 42 Ca 0.79 1.76 -0.29 0.00 -1.04 0.00 0.00 55.73 56.95 1oco s ARG 42 Cb -0.32 -1.90 -0.09 0.00 -2.04 0.00 0.00 34.95 30.60 1oco s ARG 42 CO 0.32 -1.40 1.03 -2.00 -0.04 0.00 0.00 175.30 173.21 1oco s GLU 43 N -3.59 4.65 0.03 3.89 2.56 -1.26 -4.94 118.70 120.03 1oco s GLU 43 Ca 0.75 1.62 -0.32 0.00 0.00 0.00 0.00 54.97 57.03 1oco s GLU 43 Cb -0.29 -3.10 -0.11 0.00 2.00 0.00 0.00 34.13 32.63 1oco s GLU 43 CO 0.38 0.27 1.87 2.89 -0.56 0.00 0.00 175.26 180.11 1oco n ARG 44 N 1.07 2.55 -1.64 4.30 1.85 -1.26 -4.90 116.66 118.64 1oco n ARG 44 Ca -0.00 0.93 -0.41 0.00 -1.00 0.00 0.00 57.85 57.37 1oco n ARG 44 Cb 0.47 -2.82 0.02 0.00 -1.05 0.00 0.00 32.46 29.08 1oco n ARG 44 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1oco n PRO 45 N 6.32 1.45 -1.71 2.89 -0.04 -1.26 -4.91 135.00 137.74 1oco n PRO 45 Ca 0.20 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.76 1oco n PRO 45 Cb 0.35 -2.15 -0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1oco n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1oco n ALA 46 N -0.56 1.50 -2.56 0.55 0.00 -1.26 -4.93 120.51 113.25 1oco n ALA 46 Ca 0.09 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 1oco n ALA 46 Cb 0.40 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1oco n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1oco s PHE 47 N -1.13 3.18 -0.07 0.00 2.19 -1.26 -5.05 117.98 115.84 1oco s PHE 47 Ca 0.57 0.25 0.04 0.00 0.33 0.00 0.00 56.93 58.12 1oco s PHE 47 Cb -0.53 -2.98 -0.00 0.00 -1.31 0.00 0.00 43.02 38.20 1oco s PHE 47 CO 0.61 -0.55 -0.20 -1.50 1.83 0.00 0.00 175.22 175.41 1oco s ILE 48 N 2.48 1.68 -0.73 3.12 2.07 -1.26 -5.04 121.20 123.51 1oco s ILE 48 Ca 0.20 -0.82 -0.15 0.00 -1.41 0.00 0.00 60.65 58.47 1oco s ILE 48 Cb -0.15 -1.45 -0.12 0.00 0.13 0.00 0.00 42.46 40.86 1oco s ILE 48 CO 0.13 0.48 1.91 -0.81 -1.91 0.00 0.00 174.94 174.74 1oco n PRO 49 N 3.37 1.53 -2.24 3.50 -0.04 -1.26 -4.93 135.00 134.94 1oco n PRO 49 Ca -0.19 -1.57 -0.39 0.00 -0.04 0.00 0.00 63.50 61.30 1oco n PRO 49 Cb 0.52 -2.67 -0.02 0.00 -0.04 0.00 0.00 33.50 31.30 1oco n PRO 49 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1oco s TYR 50 N 4.54 3.11 -0.42 0.54 2.02 -1.26 -4.96 117.35 120.92 1oco s TYR 50 Ca 0.48 1.52 0.23 0.00 -0.37 0.00 0.00 57.07 58.93 1oco s TYR 50 Cb 0.12 -3.50 0.36 0.00 -0.40 0.00 0.00 41.96 38.54 1oco s TYR 50 CO 0.07 -1.46 1.61 0.45 -1.57 0.00 0.00 175.55 174.66 1oco h HIS 51 N 3.05 0.00 -0.38 2.71 3.86 -2.02 -3.25 115.15 119.12 1oco h HIS 51 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1oco h HIS 51 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1oco h HIS 51 CO 0.56 0.01 0.00 -2.39 0.86 0.00 0.00 177.93 176.96 1oco n HIS 52 N -3.10 0.72 -4.49 2.45 1.44 -1.26 -4.82 115.22 106.16 1oco n HIS 52 Ca 0.04 -0.31 -0.24 0.00 -2.01 0.00 0.00 57.72 55.20 1oco n HIS 52 Cb 0.53 -0.09 -0.09 0.00 0.12 0.00 0.00 29.99 30.46 1oco n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1oco s LEU 53 N -1.15 2.02 -0.76 2.39 1.43 -1.23 -4.78 118.68 116.61 1oco s LEU 53 Ca 0.28 -1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 51.80 1oco s LEU 53 Cb 0.17 -0.18 0.01 0.00 0.03 0.00 0.00 46.19 46.21 1oco s LEU 53 CO 0.16 -0.83 0.05 0.54 0.23 0.00 0.00 176.35 176.49 1oco n ARG 54 N -0.83 -2.55 -1.54 1.70 3.00 -1.26 -4.82 116.66 110.36 1oco n ARG 54 Ca -0.05 0.40 -0.41 0.00 -0.01 0.00 0.00 57.85 57.78 1oco n ARG 54 Cb 0.66 -4.98 0.01 0.00 0.00 0.00 0.00 32.46 28.15 1oco n ARG 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1oco n ILE 55 N -3.17 2.26 -3.18 0.55 2.08 -1.26 -4.74 119.36 111.90 1oco n ILE 55 Ca -0.09 -0.50 0.02 0.00 0.56 0.00 0.00 62.75 62.75 1oco n ILE 55 Cb 0.57 -0.89 -0.01 0.00 -0.75 0.00 0.00 39.64 38.57 1oco n ILE 55 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 1oco s ARG 56 N -1.88 0.71 -0.00 0.38 3.52 -1.26 -4.97 118.95 115.43 1oco s ARG 56 Ca 0.64 0.10 0.13 0.00 -0.13 0.00 0.00 55.73 56.47 1oco s ARG 56 Cb -0.57 0.17 -0.15 0.00 -1.56 0.00 0.00 34.95 32.83 1oco s ARG 56 CO 0.56 -1.13 0.50 0.25 -0.81 0.00 0.00 175.30 174.68 1oco n THR 57 N 4.86 0.00 -3.64 4.11 -2.24 -1.26 -4.95 114.28 111.16 1oco n THR 57 Ca 0.08 -0.21 -0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1oco n THR 57 Cb 0.56 0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 69.56 1oco n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1oco s LYS 58 N -2.37 0.68 0.45 -0.78 2.20 -1.26 -5.14 119.74 113.52 1oco s LYS 58 Ca 0.03 1.22 -0.24 0.00 -0.36 0.00 0.00 55.97 56.61 1oco s LYS 58 Cb 0.10 0.19 -0.09 0.00 -1.51 0.00 0.00 37.83 36.52 1oco s LYS 58 CO 0.54 -0.15 1.26 -0.35 -0.36 0.00 0.00 175.35 176.29 1oco n PRO 59 N 4.37 1.82 -2.04 4.03 -0.04 -1.26 -4.94 135.00 136.94 1oco n PRO 59 Ca -0.19 0.65 -0.38 0.00 -0.04 0.00 0.00 63.50 63.54 1oco n PRO 59 Cb 0.58 -2.40 0.01 0.00 -0.04 0.00 0.00 33.50 31.66 1oco n PRO 59 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1oco s PHE 60 N -1.24 2.65 -0.31 0.54 0.08 -0.57 -4.88 117.98 114.24 1oco s PHE 60 Ca 0.63 1.45 0.00 0.00 0.12 0.00 0.00 56.93 59.13 1oco s PHE 60 Cb -0.49 -3.60 0.00 0.00 -0.57 0.00 0.00 43.02 38.37 1oco s PHE 60 CO 0.56 -2.14 0.53 0.45 -0.10 0.00 0.00 175.22 174.52 1oco n SER 61 N -0.56 1.49 -3.53 1.36 2.88 -1.26 -4.09 113.62 109.91 1oco n SER 61 Ca 0.08 -1.26 -0.17 0.00 -1.33 0.00 0.00 58.87 56.19 1oco n SER 61 Cb 0.46 -0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 1oco n SER 61 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1oco s TRP 62 N -0.06 -0.65 0.00 0.66 -2.14 -1.26 -5.05 118.94 110.44 1oco s TRP 62 Ca 0.00 1.17 0.00 0.00 2.66 0.00 0.00 56.10 59.93 1oco s TRP 62 Cb 0.00 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.77 1oco s TRP 62 CO 0.00 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.13 1oco n GLY 63 N 1.07 1.62 0.01 3.67 0.00 -1.26 -1.96 105.19 108.34 1oco n GLY 63 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1oco n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1oco n ASP 64 N -0.09 0.02 -0.93 1.61 5.75 -1.26 -4.82 116.55 116.82 1oco n ASP 64 Ca 0.00 -1.65 -0.12 0.00 -0.01 0.00 0.00 54.79 53.01 1oco n ASP 64 Cb 0.00 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.03 1oco n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oco n GLY 65 N 0.32 1.17 0.00 6.12 0.00 -0.83 -4.68 105.19 107.29 1oco n GLY 65 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1oco n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1oco n ASN 66 N -1.15 0.66 -4.26 1.61 5.15 -1.26 -1.51 115.26 114.49 1oco n ASN 66 Ca -0.12 -1.15 -0.33 0.00 -0.60 0.00 0.00 54.58 52.37 1oco n ASN 66 Cb 0.59 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.69 1oco n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1oco s HIS 67 N -0.15 2.81 0.70 1.20 3.76 -1.26 -4.86 115.29 117.49 1oco s HIS 67 Ca 0.00 -1.07 -0.14 0.00 -0.15 0.00 0.00 55.06 53.69 1oco s HIS 67 Cb 0.00 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.79 1oco s HIS 67 CO 0.00 -0.51 1.14 -0.08 -0.85 0.00 0.00 174.74 174.44 1oco s THR 68 N 0.95 2.93 0.16 1.30 -1.32 -1.26 -4.93 115.64 113.47 1oco s THR 68 Ca -0.03 0.42 -0.22 0.00 -1.21 0.00 0.00 61.69 60.65 1oco s THR 68 Cb -0.15 -2.93 0.06 0.00 -1.51 0.00 0.00 72.50 67.97 1oco s THR 68 CO -0.02 -0.28 1.61 0.15 -2.21 0.00 0.00 174.62 173.87 1oco h PHE 69 N -0.24 -0.80 -1.86 9.09 3.57 -1.99 -2.51 116.94 122.20 1oco h PHE 69 Ca -0.47 0.05 -0.72 0.00 3.53 0.00 0.00 57.97 60.37 1oco h PHE 69 Cb 1.26 0.40 -0.32 0.00 2.79 0.00 0.00 35.95 40.09 1oco h PHE 69 CO 0.52 -0.36 0.52 1.19 -2.23 0.00 0.00 178.31 177.95 1oco n PHE 70 N -5.41 3.12 -1.85 0.41 3.01 -1.26 -5.01 117.46 110.48 1oco n PHE 70 Ca 0.01 -2.57 -0.42 0.00 1.01 0.00 0.00 57.45 55.47 1oco n PHE 70 Cb 0.32 -0.85 -0.03 0.00 -0.01 0.00 0.00 39.48 38.91 1oco n PHE 70 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1oco s HIS 71 N -3.92 1.62 -0.37 1.38 2.46 -0.95 -4.96 115.29 110.56 1oco s HIS 71 Ca 0.51 0.07 -0.01 0.00 0.47 0.00 0.00 55.06 56.10 1oco s HIS 71 Cb 0.43 -4.05 0.09 0.00 -0.13 0.00 0.00 32.58 28.91 1oco s HIS 71 CO -0.35 -4.34 0.12 1.21 -2.47 0.00 0.00 174.74 168.91 1oco s ASN 72 N 4.67 5.07 0.53 9.88 2.47 -1.26 -4.98 114.94 131.32 1oco s ASN 72 Ca 0.83 -1.83 0.38 0.00 0.42 0.00 0.00 52.86 52.65 1oco s ASN 72 Cb -0.35 -1.76 1.55 0.00 -1.45 0.00 0.00 41.25 39.24 1oco s ASN 72 CO 0.35 -0.44 1.76 -0.65 -3.72 0.00 0.00 177.10 174.40 1oco h PRO 73 N 7.96 0.03 0.00 0.43 0.11 -1.93 -0.28 132.00 138.32 1oco h PRO 73 Ca -0.14 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.85 1oco h PRO 73 Cb 1.05 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1oco h PRO 73 CO 0.62 0.02 -0.57 -0.09 -0.21 0.00 0.00 178.00 177.77 1oco h ARG 74 N 0.03 0.00 0.00 1.05 2.43 -2.02 -3.37 114.38 112.50 1oco h ARG 74 Ca 0.64 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.81 1oco h ARG 74 Cb 2.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.04 1oco h ARG 74 CO -0.04 0.57 0.00 1.33 -1.51 0.00 0.00 179.97 180.32 1oco n VAL 75 N -3.64 0.00 -3.76 0.20 0.24 -0.56 -4.56 118.33 106.25 1oco n VAL 75 Ca -0.01 -0.37 -0.37 0.00 -2.04 0.00 0.00 64.34 61.55 1oco n VAL 75 Cb 0.62 1.05 -0.12 0.00 -1.47 0.00 0.00 33.84 33.92 1oco n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1oco s ASN 76 N -0.61 5.28 0.33 -1.34 0.02 -0.22 -4.81 114.94 113.59 1oco s ASN 76 Ca 0.00 -1.81 -0.27 0.00 -1.02 0.00 0.00 52.86 49.76 1oco s ASN 76 Cb 0.00 -1.84 -0.09 0.00 0.02 0.00 0.00 41.25 39.33 1oco s ASN 76 CO 0.00 -0.50 1.01 -2.16 0.02 0.00 0.00 177.10 175.47 1oco s PRO 77 N 1.21 4.50 1.14 -0.60 0.04 -1.26 -4.50 135.00 135.53 1oco s PRO 77 Ca 0.05 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 1oco s PRO 77 Cb -0.22 -2.86 0.26 0.00 0.04 0.00 0.00 34.50 31.72 1oco s PRO 77 CO -0.03 0.16 1.14 -0.51 0.04 0.00 0.00 177.00 177.81 1oco s LEU 78 N -2.01 1.12 0.28 -3.56 1.02 -0.43 -4.81 118.68 110.30 1oco s LEU 78 Ca 0.50 0.63 0.02 0.00 0.02 0.00 0.00 54.13 55.31 1oco s LEU 78 Cb -0.23 -2.47 0.61 0.00 0.02 0.00 0.00 46.19 44.12 1oco s LEU 78 CO 0.30 -3.78 1.79 -0.65 0.02 0.00 0.00 176.35 174.03 1oco h PRO 79 N -2.35 0.78 0.00 1.29 0.11 -1.89 -1.59 132.00 128.36 1oco h PRO 79 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1oco h PRO 79 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1oco h PRO 79 CO 0.38 0.52 0.00 0.25 -0.21 0.00 0.00 178.00 178.94 1oco n THR 80 N -4.74 0.28 0.00 -1.15 -2.24 -1.26 -4.91 114.28 100.26 1oco n THR 80 Ca 0.20 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1oco n THR 80 Cb 0.45 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1oco n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oco n GLY 81 N 1.24 2.60 3.63 3.38 0.00 -0.60 -5.06 105.19 110.38 1oco n GLY 81 Ca 0.06 -1.87 -0.44 0.00 0.00 0.00 0.00 46.02 43.77 1oco n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oco n TYR 82 N -1.77 1.67 -0.35 1.61 4.01 -1.26 -1.31 117.16 119.77 1oco n TYR 82 Ca 0.00 0.64 0.06 0.00 -0.16 0.00 0.00 57.90 58.44 1oco n TYR 82 Cb 0.00 -2.32 0.15 0.00 -0.31 0.00 0.00 39.34 36.86 1oco n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1oco h GLU 83 N 2.28 0.00 0.00 -0.72 4.39 -1.79 -3.45 114.58 115.30 1oco h GLU 83 Ca -0.42 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1oco h GLU 83 Cb 1.32 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1oco h GLU 83 CO 0.62 0.00 0.00 1.17 -1.16 0.00 0.00 179.01 179.64