#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 -1.29 -1.99 0.00 -1.46 0.00 -1.26 -5.14 121.76 110.62 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 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1oco s ALA 3 CO 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 175.76 175.46 1oco n ALA 4 N 0.63 0.00 -3.59 0.00 0.00 -1.26 -5.11 120.51 111.18 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 2.51 0.00 0.00 2.85 -1.26 -5.04 118.16 117.22 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 2.41 2.32 2.58 0.00 -1.26 -4.67 105.19 108.16 1oco n GLY 6 Ca 0.24 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 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 0.71 2.44 -1.94 1.61 2.03 -1.26 -4.98 116.55 115.17 1oco n ASP 7 Ca 0.00 -2.44 -0.02 0.00 0.52 0.00 0.00 54.79 52.85 1oco n ASP 7 Cb 0.00 0.35 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 -0.76 -1.19 -2.80 -0.67 8.25 -1.26 -5.00 115.22 111.78 1oco n HIS 8 Ca -0.11 0.49 -0.01 0.00 -0.26 0.00 0.00 57.72 57.83 1oco n HIS 8 Cb 0.41 -2.35 0.06 0.00 1.12 0.00 0.00 29.99 29.23 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 -0.30 1.81 3.61 -1.41 0.00 -1.26 -4.97 105.19 102.68 1oco n GLY 9 Ca 0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.33 -0.12 0.00 -0.02 0.00 -1.26 -5.12 107.32 97.47 1oco s GLY 10 Ca 0.24 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.49 1oco s GLY 10 CO -0.05 1.46 0.00 -1.30 0.00 0.00 0.00 173.10 173.21 1oco n THR 11 N 1.40 0.00 0.00 0.90 -2.24 -1.26 -4.95 114.28 108.14 1oco n THR 11 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1oco n THR 11 Cb 0.57 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 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 1.65 3.66 0.34 3.38 0.00 -1.26 -4.76 105.19 108.19 1oco n GLY 12 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 2.15 -0.32 4.61 0.00 -1.98 -0.40 119.26 123.31 1oco h ALA 13 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1oco h ALA 13 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1oco h ALA 13 CO 0.00 -0.26 -0.11 -0.09 0.00 0.00 0.00 179.25 178.79 1oco h ARG 14 N 0.22 0.64 -0.81 0.00 2.43 -1.98 -0.10 114.38 114.78 1oco h ARG 14 Ca 0.22 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1oco h ARG 14 Cb 0.57 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1oco h ARG 14 CO -0.04 0.84 0.47 1.15 -1.51 0.00 0.00 179.97 180.88 1oco h THR 15 N 0.41 1.23 0.00 0.20 2.02 -1.52 -0.30 112.91 114.95 1oco h THR 15 Ca 0.08 -0.54 -0.09 0.00 0.77 0.00 0.00 66.41 66.63 1oco h THR 15 Cb 0.62 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1oco h THR 15 CO 0.04 0.25 -0.42 -0.50 0.37 0.00 0.00 175.52 175.26 1oco h TRP 16 N 1.12 0.00 0.00 3.16 4.06 -0.79 -1.40 115.95 122.09 1oco h TRP 16 Ca 0.29 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 61.12 1oco h TRP 16 Cb -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 1oco h TRP 16 CO -0.00 0.42 -0.57 -0.09 -3.56 0.00 0.00 178.44 174.63 1oco h ARG 17 N 0.00 0.00 -0.03 0.49 1.12 -0.65 -2.05 114.38 113.26 1oco h ARG 17 Ca -0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1oco h ARG 17 Cb 1.00 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1oco h ARG 17 CO 0.05 0.57 -0.04 0.35 -3.11 0.00 0.00 179.97 177.80 1oco h PHE 18 N 0.00 0.10 -0.46 2.20 3.57 -0.49 -2.46 116.94 119.40 1oco h PHE 18 Ca -0.01 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 1oco h PHE 18 Cb 1.33 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1oco h PHE 18 CO 0.00 0.57 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.57 1oco h LEU 19 N -0.39 0.72 0.30 0.59 3.38 -1.30 0.30 115.31 118.91 1oco h LEU 19 Ca 0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1oco h LEU 19 Cb 0.55 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1oco h LEU 19 CO 0.01 0.79 -0.14 0.74 0.09 0.00 0.00 178.44 179.93 1oco h THR 20 N 0.71 0.70 0.00 0.22 2.02 -1.27 -0.56 112.91 114.74 1oco h THR 20 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1oco h THR 20 Cb 0.44 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1oco h THR 20 CO 0.02 0.00 -0.51 -0.26 0.37 0.00 0.00 175.52 175.14 1oco h PHE 21 N -0.40 0.00 0.00 3.16 0.04 -1.38 0.50 116.94 118.85 1oco h PHE 21 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1oco h PHE 21 Cb 0.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1oco h PHE 21 CO -0.06 0.00 -1.61 0.41 -0.60 0.00 0.00 178.31 176.45 1oco n GLY 22 N 1.17 -1.01 1.38 -1.45 0.00 0.11 -4.41 105.19 100.98 1oco n GLY 22 Ca 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.00 0.14 -0.00 0.99 7.94 -0.37 -4.77 117.00 118.93 1oco n LEU 23 Ca -0.01 0.06 -0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1oco n LEU 23 Cb 0.48 -0.01 -0.00 0.00 0.53 0.00 0.00 43.42 44.42 1oco n LEU 23 CO 0.45 -0.56 0.50 0.00 -1.11 0.00 0.00 177.39 176.67 1oco h ALA 24 N 0.00 -0.25 -0.58 1.96 0.00 -1.18 -2.17 119.26 117.04 1oco h ALA 24 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1oco h ALA 24 Cb 0.00 0.77 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1oco h ALA 24 CO 0.00 -0.25 0.35 -0.07 0.00 0.00 0.00 179.25 179.28 1oco h LEU 25 N -0.01 0.58 -1.90 0.00 3.38 -1.12 -2.34 115.31 113.90 1oco h LEU 25 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 1oco h LEU 25 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1oco h LEU 25 CO -0.01 0.41 0.30 -0.65 0.09 0.00 0.00 178.44 178.58 1oco h PRO 26 N 0.70 0.11 0.14 1.13 0.11 -1.72 -1.49 132.00 130.98 1oco h PRO 26 Ca 0.23 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 1oco h PRO 26 Cb 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1oco h PRO 26 CO -0.09 0.07 -0.07 0.77 -0.21 0.00 0.00 178.00 178.47 1oco h SER 27 N 0.11 -0.15 -0.39 -2.05 0.02 -0.85 -1.50 113.55 108.74 1oco h SER 27 Ca 0.20 -0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.04 1oco h SER 27 Cb 0.66 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1oco h SER 27 CO -0.02 0.12 0.27 0.58 -1.14 0.00 0.00 176.83 176.64 1oco h VAL 28 N -0.44 0.86 -0.20 2.27 2.07 -1.18 0.24 116.25 119.88 1oco h VAL 28 Ca -0.02 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 1oco h VAL 28 Cb 0.35 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1oco h VAL 28 CO 0.03 0.02 -0.54 0.00 0.02 0.00 0.00 177.57 177.10 1oco h ALA 29 N 1.80 0.34 0.65 1.67 0.00 -0.67 -1.25 119.26 121.80 1oco h ALA 29 Ca 0.18 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1oco h ALA 29 Cb 0.57 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1oco h ALA 29 CO -0.02 0.55 -0.31 -0.07 0.00 0.00 0.00 179.25 179.39 1oco h LEU 30 N 0.43 -0.74 -1.19 0.00 3.38 -0.39 -0.90 115.31 115.91 1oco h LEU 30 Ca -0.01 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.23 1oco h LEU 30 Cb 1.16 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 42.00 1oco h LEU 30 CO 0.12 -0.45 0.63 0.00 0.09 0.00 0.00 178.44 178.83 1oco h THR 32 N 0.51 1.23 -0.07 0.00 2.02 -1.05 0.13 112.91 115.68 1oco h THR 32 Ca 0.61 -0.98 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1oco h THR 32 Cb 1.32 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 1oco h THR 32 CO -0.37 0.32 -0.06 0.25 0.37 0.00 0.00 175.52 176.03 1oco h LEU 33 N 0.50 0.18 -0.35 2.58 5.85 0.16 -1.59 115.31 122.64 1oco h LEU 33 Ca 0.10 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1oco h LEU 33 Cb 0.46 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1oco h LEU 33 CO 0.02 0.61 0.12 -1.13 -0.34 0.00 0.00 178.44 177.73 1oco h ASN 34 N -0.26 0.14 0.13 1.25 -1.24 -0.66 0.16 115.58 115.11 1oco h ASN 34 Ca 0.01 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 1oco h ASN 34 Cb 0.56 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1oco h ASN 34 CO 0.02 0.11 -0.18 0.28 -1.29 0.00 0.00 177.43 176.37 1oco h SER 35 N 0.27 0.10 1.29 1.15 0.02 -0.70 -0.01 113.55 115.67 1oco h SER 35 Ca 0.16 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1oco h SER 35 Cb 0.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1oco h SER 35 CO -0.16 0.29 -0.43 -0.25 -1.14 0.00 0.00 176.83 175.14 1oco h TRP 36 N 0.10 0.00 0.09 3.45 2.91 -0.61 -3.17 115.95 118.72 1oco h TRP 36 Ca 0.02 0.00 -0.29 0.00 1.13 0.00 0.00 58.89 59.75 1oco h TRP 36 Cb 0.38 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 1oco h TRP 36 CO 0.00 0.00 -1.49 -0.07 -1.03 0.00 0.00 178.44 175.85 1oco h LEU 37 N 0.00 0.30 -3.92 0.65 4.07 0.11 -3.28 115.31 113.25 1oco h LEU 37 Ca 0.00 -0.42 -0.61 0.00 0.08 0.00 0.00 57.88 56.93 1oco h LEU 37 Cb 0.86 -0.10 -0.31 0.00 1.08 0.00 0.00 40.66 42.20 1oco h LEU 37 CO 0.00 1.35 0.50 1.41 -1.08 0.00 0.00 178.44 180.62 1oco n HIS 38 N -3.40 3.00 0.85 1.13 8.25 -0.50 -4.63 115.22 119.92 1oco n HIS 38 Ca -0.15 -2.66 0.00 0.00 -0.26 0.00 0.00 57.72 54.66 1oco n HIS 38 Cb 1.03 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.93 1.24 -4.58 0.41 3.41 -1.20 -4.84 113.62 107.14 1oco n SER 39 Ca 0.57 -1.69 -0.41 0.00 -0.26 0.00 0.00 58.87 57.08 1oco n SER 39 Cb 0.87 -0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.19 0.73 3.64 5.00 0.00 -1.26 -4.89 105.19 108.59 1oco n GLY 40 Ca 0.00 0.74 -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 9.66 1.80 0.67 1.61 2.46 -1.26 -4.97 115.29 125.25 1oco s HIS 41 Ca 1.00 0.27 -0.17 0.00 0.47 0.00 0.00 55.06 56.63 1oco s HIS 41 Cb -0.29 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.16 1oco s HIS 41 CO 0.32 -3.82 1.20 -0.98 -2.47 0.00 0.00 174.74 168.99 1oco s ARG 42 N 4.68 2.55 0.25 2.88 1.04 -1.26 -4.98 118.95 124.12 1oco s ARG 42 Ca 0.79 1.75 -0.30 0.00 -1.04 0.00 0.00 55.73 56.93 1oco s ARG 42 Cb -0.31 -1.88 -0.09 0.00 -2.04 0.00 0.00 34.95 30.62 1oco s ARG 42 CO 0.32 -1.51 0.99 -2.00 -0.04 0.00 0.00 175.30 173.06 1oco s GLU 43 N -3.70 4.79 -0.02 3.89 2.56 -1.26 -4.94 118.70 120.02 1oco s GLU 43 Ca 0.75 1.59 -0.33 0.00 0.00 0.00 0.00 54.97 56.98 1oco s GLU 43 Cb -0.29 -3.25 -0.11 0.00 2.00 0.00 0.00 34.13 32.48 1oco s GLU 43 CO 0.40 0.42 1.87 2.89 -0.56 0.00 0.00 175.26 180.29 1oco n ARG 44 N 1.40 2.40 -1.63 4.30 1.85 -1.26 -4.89 116.66 118.84 1oco n ARG 44 Ca -0.02 0.88 -0.41 0.00 -1.00 0.00 0.00 57.85 57.30 1oco n ARG 44 Cb 0.46 -2.75 0.02 0.00 -1.05 0.00 0.00 32.46 29.14 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 6.47 1.38 -1.73 2.89 -0.04 -1.26 -4.91 135.00 137.80 1oco n PRO 45 Ca 0.21 0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 63.75 1oco n PRO 45 Cb 0.33 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 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 -0.64 1.71 -2.56 0.55 0.00 -1.26 -4.93 120.51 113.38 1oco n ALA 46 Ca 0.10 0.32 -0.42 0.00 0.00 0.00 0.00 53.44 53.44 1oco n ALA 46 Cb 0.40 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.46 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 -1.14 3.16 -0.09 0.00 5.36 -1.26 -5.05 117.98 118.96 1oco s PHE 47 Ca 0.57 0.28 0.04 0.00 -0.96 0.00 0.00 56.93 56.86 1oco s PHE 47 Cb -0.51 -3.08 -0.00 0.00 -0.34 0.00 0.00 43.02 39.09 1oco s PHE 47 CO 0.61 -0.61 -0.22 -1.50 -1.46 0.00 0.00 175.22 172.04 1oco s ILE 48 N 2.61 1.92 -0.57 3.12 2.07 -1.26 -5.04 121.20 124.05 1oco s ILE 48 Ca 0.22 -0.95 -0.09 0.00 -1.41 0.00 0.00 60.65 58.42 1oco s ILE 48 Cb -0.15 -1.66 -0.09 0.00 0.13 0.00 0.00 42.46 40.69 1oco s ILE 48 CO 0.14 0.53 1.74 -0.81 -1.91 0.00 0.00 174.94 174.63 1oco n PRO 49 N 3.44 1.25 -2.13 3.50 -0.04 -1.26 -4.92 135.00 134.84 1oco n PRO 49 Ca -0.19 -1.23 -0.39 0.00 -0.04 0.00 0.00 63.50 61.64 1oco n PRO 49 Cb 0.53 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.56 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 4.43 2.92 -0.25 0.54 2.02 -1.26 -4.95 117.35 120.80 1oco s TYR 50 Ca 0.35 1.46 0.20 0.00 -0.37 0.00 0.00 57.07 58.70 1oco s TYR 50 Cb 0.09 -3.59 0.30 0.00 -0.40 0.00 0.00 41.96 38.36 1oco s TYR 50 CO 0.04 -1.83 1.57 0.45 -1.57 0.00 0.00 175.55 174.20 1oco h HIS 51 N 2.76 0.00 -0.31 2.71 3.86 -2.02 -3.25 115.15 118.90 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 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1oco h HIS 51 CO 0.54 0.24 0.00 -2.39 0.86 0.00 0.00 177.93 177.18 1oco n HIS 52 N -3.18 0.46 -4.51 2.45 1.44 -1.26 -4.81 115.22 105.81 1oco n HIS 52 Ca 0.03 -0.22 -0.25 0.00 -2.01 0.00 0.00 57.72 55.27 1oco n HIS 52 Cb 0.61 -0.02 -0.09 0.00 0.12 0.00 0.00 29.99 30.60 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 -1.01 2.12 -0.88 2.39 1.43 -1.23 -4.78 118.68 116.72 1oco s LEU 53 Ca 0.21 -1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 51.76 1oco s LEU 53 Cb 0.12 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 46.05 1oco s LEU 53 CO 0.14 -0.77 0.12 0.54 0.23 0.00 0.00 176.35 176.60 1oco n ARG 54 N -0.85 -2.63 -1.54 1.70 3.00 -1.26 -4.83 116.66 110.26 1oco n ARG 54 Ca -0.06 0.43 -0.40 0.00 -0.01 0.00 0.00 57.85 57.81 1oco n ARG 54 Cb 0.66 -5.03 0.02 0.00 0.00 0.00 0.00 32.46 28.11 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 -3.32 2.35 -3.18 0.55 2.08 -1.26 -4.74 119.36 111.84 1oco n ILE 55 Ca -0.08 -0.50 0.02 0.00 0.56 0.00 0.00 62.75 62.75 1oco n ILE 55 Cb 0.57 -0.88 -0.01 0.00 -0.75 0.00 0.00 39.64 38.58 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 -1.97 0.71 -0.00 0.38 3.52 -1.26 -4.98 118.95 115.34 1oco s ARG 56 Ca 0.66 0.08 0.13 0.00 -0.13 0.00 0.00 55.73 56.46 1oco s ARG 56 Cb -0.54 0.16 -0.14 0.00 -1.56 0.00 0.00 34.95 32.88 1oco s ARG 56 CO 0.56 -1.12 0.54 0.25 -0.81 0.00 0.00 175.30 174.71 1oco n THR 57 N 4.83 0.00 -3.64 4.11 -2.24 -1.26 -4.94 114.28 111.14 1oco n THR 57 Ca 0.08 -0.20 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 1oco n THR 57 Cb 0.56 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 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 -2.20 0.62 0.45 -0.78 2.20 -1.26 -5.15 119.74 113.62 1oco s LYS 58 Ca 0.05 1.06 -0.25 0.00 -0.36 0.00 0.00 55.97 56.47 1oco s LYS 58 Cb 0.10 0.13 -0.09 0.00 -1.51 0.00 0.00 37.83 36.46 1oco s LYS 58 CO 0.52 -0.13 1.29 -0.35 -0.36 0.00 0.00 175.35 176.32 1oco n PRO 59 N 4.08 1.91 -2.07 4.03 -0.04 -1.26 -4.95 135.00 136.70 1oco n PRO 59 Ca -0.19 0.68 -0.38 0.00 -0.04 0.00 0.00 63.50 63.57 1oco n PRO 59 Cb 0.58 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.62 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 -1.22 2.69 -0.31 0.54 0.08 -0.50 -4.88 117.98 114.38 1oco s PHE 60 Ca 0.63 1.46 0.00 0.00 0.12 0.00 0.00 56.93 59.14 1oco s PHE 60 Cb -0.48 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.40 1oco s PHE 60 CO 0.56 -2.04 0.51 0.45 -0.10 0.00 0.00 175.22 174.61 1oco n SER 61 N -0.52 1.43 -3.54 1.36 2.88 -1.26 -4.10 113.62 109.88 1oco n SER 61 Ca 0.07 -1.20 -0.16 0.00 -1.33 0.00 0.00 58.87 56.25 1oco n SER 61 Cb 0.46 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.03 -0.62 0.00 0.66 -2.14 -1.26 -5.05 118.94 110.50 1oco s TRP 62 Ca 0.00 1.11 0.00 0.00 2.66 0.00 0.00 56.10 59.87 1oco s TRP 62 Cb 0.00 0.41 0.00 0.00 -3.10 0.00 0.00 33.47 30.78 1oco s TRP 62 CO 0.00 -0.55 0.00 0.41 -2.66 0.00 0.00 176.95 174.15 1oco n GLY 63 N 1.02 1.50 0.00 3.67 0.00 -1.26 -2.02 105.19 108.10 1oco n GLY 63 Ca -0.17 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 0.29 0.00 -0.82 1.61 5.75 -1.26 -4.84 116.55 117.29 1oco n ASP 64 Ca 0.00 -1.62 -0.11 0.00 -0.01 0.00 0.00 54.79 53.06 1oco n ASP 64 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.49 1.06 0.00 6.12 0.00 -0.86 -4.70 105.19 107.31 1oco n GLY 65 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.94 0.73 -4.26 1.61 5.15 -1.26 -1.41 115.26 114.89 1oco n ASN 66 Ca -0.11 -1.15 -0.34 0.00 -0.60 0.00 0.00 54.58 52.39 1oco n ASN 66 Cb 0.54 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.64 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 2.82 0.74 1.20 3.76 -1.26 -4.86 115.29 117.54 1oco s HIS 67 Ca 0.00 -1.09 -0.14 0.00 -0.15 0.00 0.00 55.06 53.68 1oco s HIS 67 Cb 0.00 -1.94 0.04 0.00 1.11 0.00 0.00 32.58 31.80 1oco s HIS 67 CO 0.00 -0.53 1.15 -0.08 -0.85 0.00 0.00 174.74 174.43 1oco s THR 68 N 1.00 2.73 0.15 1.30 -1.32 -1.26 -4.93 115.64 113.31 1oco s THR 68 Ca -0.02 0.32 -0.26 0.00 -1.21 0.00 0.00 61.69 60.52 1oco s THR 68 Cb -0.15 -2.78 -0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1oco s THR 68 CO -0.03 -0.24 1.60 0.15 -2.21 0.00 0.00 174.62 173.90 1oco h PHE 69 N -0.53 -1.00 -1.89 9.09 3.57 -1.99 -2.62 116.94 121.56 1oco h PHE 69 Ca -0.46 0.05 -0.73 0.00 3.53 0.00 0.00 57.97 60.36 1oco h PHE 69 Cb 1.27 0.47 -0.31 0.00 2.79 0.00 0.00 35.95 40.17 1oco h PHE 69 CO 0.52 -0.41 0.62 1.19 -2.23 0.00 0.00 178.31 177.99 1oco n PHE 70 N -5.42 3.09 -1.77 0.41 3.01 -1.26 -5.01 117.46 110.52 1oco n PHE 70 Ca -0.02 -2.53 -0.42 0.00 1.01 0.00 0.00 57.45 55.48 1oco n PHE 70 Cb 0.34 -0.92 -0.03 0.00 -0.01 0.00 0.00 39.48 38.86 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 -3.95 1.46 -0.38 1.38 2.46 -0.99 -4.96 115.29 110.30 1oco s HIS 71 Ca 0.51 0.04 -0.03 0.00 0.47 0.00 0.00 55.06 56.05 1oco s HIS 71 Cb 0.42 -4.08 0.09 0.00 -0.13 0.00 0.00 32.58 28.88 1oco s HIS 71 CO -0.35 -4.56 0.15 1.21 -2.47 0.00 0.00 174.74 168.71 1oco s ASN 72 N 5.30 5.18 0.55 9.88 2.47 -1.26 -4.98 114.94 132.08 1oco s ASN 72 Ca 0.87 -1.81 0.39 0.00 0.42 0.00 0.00 52.86 52.74 1oco s ASN 72 Cb -0.36 -1.81 1.57 0.00 -1.45 0.00 0.00 41.25 39.20 1oco s ASN 72 CO 0.36 -0.47 1.73 -0.65 -3.72 0.00 0.00 177.10 174.36 1oco h PRO 73 N 8.05 0.00 0.00 0.43 0.11 -1.93 -0.25 132.00 138.40 1oco h PRO 73 Ca -0.15 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.85 1oco h PRO 73 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1oco h PRO 73 CO 0.65 0.00 -0.52 -0.09 -0.21 0.00 0.00 178.00 177.84 1oco h ARG 74 N 0.00 0.00 0.00 1.05 2.43 -2.02 -3.37 114.38 112.47 1oco h ARG 74 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1oco h ARG 74 Cb 2.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 32.15 1oco h ARG 74 CO -0.01 0.52 0.00 1.33 -1.51 0.00 0.00 179.97 180.30 1oco n VAL 75 N -3.39 0.00 -3.76 0.20 0.24 -0.53 -4.56 118.33 106.53 1oco n VAL 75 Ca 0.01 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 61.62 1oco n VAL 75 Cb 0.66 1.14 -0.12 0.00 -1.47 0.00 0.00 33.84 34.06 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 -0.38 5.27 0.38 -1.34 0.02 -0.22 -4.83 114.94 113.84 1oco s ASN 76 Ca 0.00 -1.78 -0.24 0.00 -1.02 0.00 0.00 52.86 49.82 1oco s ASN 76 Cb 0.00 -1.84 -0.10 0.00 0.02 0.00 0.00 41.25 39.33 1oco s ASN 76 CO 0.00 -0.49 1.00 -2.16 0.02 0.00 0.00 177.10 175.47 1oco s PRO 77 N 1.22 4.30 1.09 -0.60 0.04 -1.26 -4.47 135.00 135.33 1oco s PRO 77 Ca 0.05 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 1oco s PRO 77 Cb -0.22 -2.55 0.24 0.00 0.04 0.00 0.00 34.50 32.00 1oco s PRO 77 CO -0.02 0.01 1.18 -0.51 0.04 0.00 0.00 177.00 177.69 1oco s LEU 78 N -2.56 1.48 0.29 -3.56 1.02 -0.32 -4.82 118.68 110.20 1oco s LEU 78 Ca 0.56 0.58 0.02 0.00 0.02 0.00 0.00 54.13 55.31 1oco s LEU 78 Cb -0.19 -2.48 0.60 0.00 0.02 0.00 0.00 46.19 44.15 1oco s LEU 78 CO 0.24 -3.50 1.81 -0.65 0.02 0.00 0.00 176.35 174.26 1oco h PRO 79 N -2.16 0.86 0.00 1.29 0.11 -1.89 -1.07 132.00 129.14 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 1.28 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1oco h PRO 79 CO 0.39 0.57 0.00 0.25 -0.21 0.00 0.00 178.00 179.00 1oco n THR 80 N -4.69 0.12 0.00 -1.15 -2.24 -1.26 -4.90 114.28 100.15 1oco n THR 80 Ca 0.20 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1oco n THR 80 Cb 0.43 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 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 1.31 2.49 3.63 3.38 0.00 -0.41 -5.07 105.19 110.53 1oco n GLY 81 Ca 0.07 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.68 1.62 -0.32 1.61 4.01 -1.26 -1.17 117.16 119.97 1oco n TYR 82 Ca 0.00 0.65 0.06 0.00 -0.16 0.00 0.00 57.90 58.45 1oco n TYR 82 Cb 0.00 -2.31 0.15 0.00 -0.31 0.00 0.00 39.34 36.88 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 2.17 0.01 0.00 -0.72 4.39 -1.78 -3.45 114.58 115.20 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 0.61 0.01 0.00 1.17 -1.16 0.00 0.00 179.01 179.64