#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ n SER 2 N 0.00 0.00 -3.56 0.00 2.88 -1.26 -5.20 113.62 106.48 2occ n SER 2 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2occ n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2occ n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2occ s ALA 3 N -1.77 -1.95 0.00 -1.46 0.00 -1.26 -5.15 121.76 110.18 2occ s ALA 3 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2occ s ALA 3 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.91 2occ s ALA 3 CO 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 175.76 175.24 2occ n ALA 4 N 0.14 0.00 -3.03 0.00 0.00 -1.26 -5.10 120.51 111.27 2occ n ALA 4 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 2occ n ALA 4 Cb 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 2occ n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2occ n LYS 5 N 0.00 4.02 0.00 0.00 2.85 -1.26 -5.02 118.16 118.75 2occ n LYS 5 Ca 0.00 -4.65 0.00 0.00 -1.05 0.00 0.00 58.31 52.61 2occ n LYS 5 Cb 0.00 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 31.98 2occ n LYS 5 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2occ n GLY 6 N 0.73 3.34 3.43 2.58 0.00 -1.26 -4.73 105.19 109.28 2occ n GLY 6 Ca 0.32 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 2occ n GLY 6 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2occ s ASP 7 N -4.00 2.14 0.00 1.61 2.15 -1.26 -4.99 116.67 112.32 2occ s ASP 7 Ca 0.00 -1.49 0.00 0.00 0.43 0.00 0.00 52.55 51.49 2occ s ASP 7 Cb 0.00 0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.83 2occ s ASP 7 CO 0.00 -0.77 0.00 1.41 -0.17 0.00 0.00 175.17 175.64 2occ n HIS 8 N -0.69 0.00 -2.80 -5.34 8.25 -1.26 -5.03 115.22 108.34 2occ n HIS 8 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 2occ n HIS 8 Cb 0.66 -1.33 0.07 0.00 1.12 0.00 0.00 29.99 30.50 2occ n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2occ n GLY 9 N -0.36 1.82 3.65 -1.41 0.00 -1.26 -4.98 105.19 102.65 2occ n GLY 9 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 2occ n GLY 9 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2occ s GLY 10 N -3.22 0.28 0.11 -0.02 0.00 -1.26 -5.14 107.32 98.07 2occ s GLY 10 Ca 0.23 3.39 0.00 0.00 0.00 0.00 0.00 44.72 48.35 2occ s GLY 10 CO -0.06 1.95 0.00 -1.30 0.00 0.00 0.00 173.10 173.69 2occ n THR 11 N 1.75-12.34 0.00 0.90 -2.24 -1.26 -5.02 114.28 96.08 2occ n THR 11 Ca -0.11 3.04 0.00 0.00 -2.27 0.00 0.00 64.05 64.71 2occ n THR 11 Cb 0.57 -5.35 0.00 0.00 -2.10 0.00 0.00 70.33 63.45 2occ n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2occ n GLY 12 N 1.91 3.77 0.30 3.38 0.00 -1.26 -4.70 105.19 108.59 2occ n GLY 12 Ca 0.00 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.05 2occ n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2occ h ALA 13 N 0.00 2.15 -0.25 4.61 0.00 -1.99 -0.42 119.26 123.35 2occ h ALA 13 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2occ h ALA 13 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2occ h ALA 13 CO 0.00 -0.20 -0.41 -0.09 0.00 0.00 0.00 179.25 178.55 2occ h ARG 14 N 0.00 0.60 -0.53 0.00 2.43 -1.99 -1.64 114.38 113.25 2occ h ARG 14 Ca 0.08 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 58.83 2occ h ARG 14 Cb 0.31 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2occ h ARG 14 CO -0.00 0.90 -0.08 1.15 -1.51 0.00 0.00 179.97 180.43 2occ h THR 15 N 0.49 1.27 0.00 0.20 2.02 -1.38 -1.08 112.91 114.43 2occ h THR 15 Ca 0.04 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 65.95 2occ h THR 15 Cb 0.92 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2occ h THR 15 CO 0.08 0.43 -0.24 -0.50 0.37 0.00 0.00 175.52 175.67 2occ h TRP 16 N 0.86 0.00 0.02 3.16 4.06 -1.30 -0.52 115.95 122.23 2occ h TRP 16 Ca 0.14 0.00 -0.24 0.00 2.06 0.00 0.00 58.89 60.85 2occ h TRP 16 Cb 0.64 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.81 2occ h TRP 16 CO 0.05 0.24 -1.00 -0.09 -3.56 0.00 0.00 178.44 174.07 2occ h ARG 17 N 0.00 0.48 -0.27 0.49 2.43 -1.10 -1.22 114.38 115.19 2occ h ARG 17 Ca -0.00 -0.54 -0.00 0.00 -0.81 0.00 0.00 59.98 58.63 2occ h ARG 17 Cb 0.94 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 2occ h ARG 17 CO 0.03 1.18 0.16 0.35 -1.51 0.00 0.00 179.97 180.18 2occ h PHE 18 N 0.26 0.36 -0.30 2.20 3.57 -0.78 -1.69 116.94 120.56 2occ h PHE 18 Ca -0.10 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.28 2occ h PHE 18 Cb 1.65 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 2occ h PHE 18 CO 0.07 0.27 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.06 2occ h LEU 19 N 0.34 0.63 0.00 0.59 3.38 -1.09 0.13 115.31 119.29 2occ h LEU 19 Ca 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2occ h LEU 19 Cb 0.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2occ h LEU 19 CO -0.02 0.89 -0.00 0.74 0.09 0.00 0.00 178.44 180.14 2occ h THR 20 N 0.53 0.99 0.00 0.22 2.02 -0.79 -0.35 112.91 115.53 2occ h THR 20 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2occ h THR 20 Cb 0.77 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2occ h THR 20 CO 0.06 0.00 -0.84 -0.26 0.37 0.00 0.00 175.52 174.86 2occ h PHE 21 N -0.01 0.00 0.00 3.16 0.04 -1.34 0.43 116.94 119.23 2occ h PHE 21 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2occ h PHE 21 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 2occ h PHE 21 CO -0.08 0.02 -1.52 0.41 -0.60 0.00 0.00 178.31 176.54 2occ n GLY 22 N 1.17 -0.97 1.52 -1.45 0.00 0.45 -4.45 105.19 101.46 2occ n GLY 22 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2occ n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2occ n LEU 23 N -1.90 0.32 0.13 0.99 7.94 -0.29 -4.81 117.00 119.37 2occ n LEU 23 Ca -0.00 0.22 -0.12 0.00 -1.11 0.00 0.00 56.01 55.00 2occ n LEU 23 Cb 0.45 0.03 -0.07 0.00 0.53 0.00 0.00 43.42 44.37 2occ n LEU 23 CO 0.44 -0.69 0.51 0.00 -1.11 0.00 0.00 177.39 176.54 2occ h ALA 24 N 0.00 -0.93 -0.99 1.96 0.00 -1.19 -2.19 119.26 115.92 2occ h ALA 24 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2occ h ALA 24 Cb 0.00 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2occ h ALA 24 CO 0.00 -0.99 0.65 -0.07 0.00 0.00 0.00 179.25 178.84 2occ h LEU 25 N -0.58 1.15 -1.67 0.00 3.38 -1.14 -2.14 115.31 114.32 2occ h LEU 25 Ca -0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2occ h LEU 25 Cb 0.54 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2occ h LEU 25 CO -0.13 0.84 0.17 -0.65 0.09 0.00 0.00 178.44 178.76 2occ h PRO 26 N 1.35 0.39 -0.29 1.13 0.11 -1.73 -1.56 132.00 131.40 2occ h PRO 26 Ca 0.36 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.40 2occ h PRO 26 Cb -0.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 2occ h PRO 26 CO -0.08 0.28 0.02 0.77 -0.21 0.00 0.00 178.00 178.78 2occ h SER 27 N 0.40 0.48 -0.66 -2.05 0.02 -0.76 -0.72 113.55 110.26 2occ h SER 27 Ca 0.10 -0.29 0.06 0.00 -0.84 0.00 0.00 61.79 60.82 2occ h SER 27 Cb -0.00 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 2occ h SER 27 CO -0.02 0.65 0.44 0.58 -1.14 0.00 0.00 176.83 177.34 2occ h VAL 28 N 0.29 1.02 -0.15 2.27 2.07 -0.87 -0.60 116.25 120.29 2occ h VAL 28 Ca 0.08 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 2occ h VAL 28 Cb 0.39 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2occ h VAL 28 CO 0.01 0.13 -0.15 0.00 0.02 0.00 0.00 177.57 177.58 2occ h ALA 29 N 1.64 0.22 -0.46 1.67 0.00 -0.71 -1.32 119.26 120.30 2occ h ALA 29 Ca 0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2occ h ALA 29 Cb 0.24 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2occ h ALA 29 CO -0.09 0.10 0.28 -0.07 0.00 0.00 0.00 179.25 179.48 2occ h LEU 30 N -0.00 0.55 -1.47 0.00 3.38 -0.67 0.87 115.31 117.97 2occ h LEU 30 Ca 0.02 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2occ h LEU 30 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2occ h LEU 30 CO 0.04 0.43 -0.27 0.00 0.09 0.00 0.00 178.44 178.73 2occ h THR 32 N 0.00 1.36 0.20 0.00 2.02 -0.24 -0.57 112.91 115.68 2occ h THR 32 Ca -0.00 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 2occ h THR 32 Cb 0.49 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 2occ h THR 32 CO 0.04 0.56 -0.10 0.25 0.37 0.00 0.00 175.52 176.63 2occ h LEU 33 N 0.23 -0.23 -0.39 2.58 5.85 0.47 -2.94 115.31 120.88 2occ h LEU 33 Ca 0.00 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.55 2occ h LEU 33 Cb 1.05 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2occ h LEU 33 CO 0.09 0.15 -0.02 -1.13 -0.34 0.00 0.00 178.44 177.19 2occ h ASN 34 N -0.65 -0.19 0.12 1.25 -1.24 -0.63 0.53 115.58 114.78 2occ h ASN 34 Ca -0.03 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2occ h ASN 34 Cb 0.46 0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.69 2occ h ASN 34 CO 0.05 -0.06 0.00 -0.24 -1.29 0.00 0.00 177.43 175.89 2occ n SER 35 N -5.21 0.00 -0.06 1.15 2.88 -0.23 -1.44 113.62 110.70 2occ n SER 35 Ca 0.02 0.37 -0.14 0.00 -1.33 0.00 0.00 58.87 57.79 2occ n SER 35 Cb 0.21 -0.40 -0.14 0.00 -0.75 0.00 0.00 64.21 63.13 2occ n SER 35 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 2occ n TRP 36 N -1.40 0.56 -2.05 0.66 -0.00 0.14 -3.17 117.44 112.19 2occ n TRP 36 Ca 0.02 0.16 -0.38 0.00 -0.00 0.00 0.00 57.50 57.29 2occ n TRP 36 Cb 0.05 -1.09 0.02 0.00 -0.00 0.00 0.00 31.31 30.28 2occ n TRP 36 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2occ n LEU 37 N -3.10 7.38 0.10 5.87 7.99 -0.52 -4.23 117.00 130.49 2occ n LEU 37 Ca -0.31 -4.88 0.00 0.00 -0.01 0.00 0.00 56.01 50.81 2occ n LEU 37 Cb 1.07 -1.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 2occ n LEU 37 CO 0.40 1.85 0.00 1.41 -1.51 0.00 0.00 177.39 179.54 2occ n HIS 38 N -0.08 -3.18 -1.23 -1.77 8.25 -1.23 -4.98 115.22 111.00 2occ n HIS 38 Ca 0.52 0.69 -0.37 0.00 -0.26 0.00 0.00 57.72 58.30 2occ n HIS 38 Cb 0.28 1.95 -0.03 0.00 1.12 0.00 0.00 29.99 33.32 2occ n HIS 38 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2occ n SER 39 N -2.97 4.65 -0.07 0.41 7.64 -1.19 -4.35 113.62 117.75 2occ n SER 39 Ca 0.00 -2.61 -0.19 0.00 1.01 0.00 0.00 58.87 57.08 2occ n SER 39 Cb 0.00 -1.33 -0.13 0.00 -1.01 0.00 0.00 64.21 61.74 2occ n SER 39 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2occ h GLY 40 N 10.14 0.06 0.00 0.23 0.00 -1.87 -3.46 103.07 108.18 2occ h GLY 40 Ca 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.74 2occ h GLY 40 CO 1.78 0.13 0.00 1.57 0.00 0.00 0.00 176.54 180.02 2occ n HIS 41 N -4.40 0.00 -5.21 5.60 -0.00 -1.26 -5.17 115.22 104.78 2occ n HIS 41 Ca -0.22 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.64 2occ n HIS 41 Cb 0.65 0.00 -0.17 0.00 -0.12 0.00 0.00 29.99 30.35 2occ n HIS 41 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2occ s ARG 42 N -2.00 2.90 -0.01 1.57 1.70 -1.26 -5.11 118.95 116.74 2occ s ARG 42 Ca 0.00 -0.88 -0.30 0.00 -0.47 0.00 0.00 55.73 54.08 2occ s ARG 42 Cb 0.00 -2.27 -0.03 0.00 -0.57 0.00 0.00 34.95 32.07 2occ s ARG 42 CO 0.00 0.25 1.07 -2.00 -1.08 0.00 0.00 175.30 173.54 2occ s GLU 43 N 0.16 4.48 0.27 3.89 2.56 -1.26 -4.98 118.70 123.82 2occ s GLU 43 Ca -0.13 1.54 -0.29 0.00 0.00 0.00 0.00 54.97 56.09 2occ s GLU 43 Cb -0.16 -3.45 -0.14 0.00 2.00 0.00 0.00 34.13 32.37 2occ s GLU 43 CO 0.07 -0.20 1.15 2.89 -0.56 0.00 0.00 175.26 178.61 2occ n ARG 44 N 4.24 1.55 -1.83 4.30 1.85 -1.26 -4.96 116.66 120.55 2occ n ARG 44 Ca 0.08 0.55 -0.37 0.00 -1.00 0.00 0.00 57.85 57.11 2occ n ARG 44 Cb 0.49 -2.02 0.05 0.00 -1.05 0.00 0.00 32.46 29.92 2occ n ARG 44 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2occ s PRO 45 N -1.18 2.82 0.27 2.89 0.02 -1.26 -4.96 135.00 133.61 2occ s PRO 45 Ca 0.63 2.04 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 2occ s PRO 45 Cb -0.70 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 31.75 2occ s PRO 45 CO 0.57 -1.38 1.27 0.00 -0.33 0.00 0.00 177.00 177.13 2occ s ALA 46 N -1.42 3.49 -0.33 -1.55 0.00 -1.26 -4.96 121.76 115.73 2occ s ALA 46 Ca 0.78 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 2occ s ALA 46 Cb -0.36 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.32 2occ s ALA 46 CO 0.40 -0.52 1.09 0.12 0.00 0.00 0.00 175.76 176.86 2occ s PHE 47 N -0.68 3.09 -0.11 0.00 5.36 -1.26 -5.01 117.98 119.38 2occ s PHE 47 Ca 0.51 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.63 2occ s PHE 47 Cb -0.37 -3.78 0.01 0.00 -0.34 0.00 0.00 43.02 38.55 2occ s PHE 47 CO 0.45 -0.87 -0.16 0.42 -1.46 0.00 0.00 175.22 173.60 2occ s ILE 48 N 3.77 1.58 -0.68 3.12 1.01 -1.26 -5.04 121.20 123.70 2occ s ILE 48 Ca 0.46 -0.70 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 2occ s ILE 48 Cb -0.12 -1.43 -0.07 0.00 0.01 0.00 0.00 42.46 40.86 2occ s ILE 48 CO 0.17 0.46 2.08 -2.65 0.00 0.00 0.00 174.94 175.00 2occ n PRO 49 N 4.10 1.79 -1.84 2.79 -0.02 -1.26 -4.92 135.00 135.64 2occ n PRO 49 Ca -0.19 -1.22 -0.41 0.00 -2.02 0.00 0.00 63.50 59.66 2occ n PRO 49 Cb 0.51 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2occ n PRO 49 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2occ s TYR 50 N 3.14 2.63 -0.51 6.00 2.02 -1.26 -4.91 117.35 124.45 2occ s TYR 50 Ca 0.37 1.20 0.24 0.00 -0.37 0.00 0.00 57.07 58.52 2occ s TYR 50 Cb 0.11 -3.98 0.51 0.00 -0.40 0.00 0.00 41.96 38.21 2occ s TYR 50 CO -0.03 -2.86 1.67 0.45 -1.57 0.00 0.00 175.55 173.22 2occ h HIS 51 N 2.99 0.00 -0.32 2.71 3.86 -1.99 -3.19 115.15 119.21 2occ h HIS 51 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 2occ h HIS 51 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 2occ h HIS 51 CO 0.53 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 176.93 2occ n HIS 52 N -2.84 0.42 -4.49 2.45 1.44 -1.26 -4.86 115.22 106.08 2occ n HIS 52 Ca 0.04 -0.21 -0.24 0.00 -2.01 0.00 0.00 57.72 55.31 2occ n HIS 52 Cb 0.49 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.50 2occ n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2occ s LEU 53 N -1.12 2.14 -1.51 2.39 1.43 -1.20 -4.81 118.68 115.99 2occ s LEU 53 Ca 0.26 -1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 51.86 2occ s LEU 53 Cb 0.13 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 46.03 2occ s LEU 53 CO 0.18 -0.72 0.11 0.54 0.23 0.00 0.00 176.35 176.70 2occ n ARG 54 N -0.79 -1.49 -2.01 1.70 3.00 -1.26 -4.84 116.66 110.95 2occ n ARG 54 Ca -0.04 0.17 -0.40 0.00 -0.01 0.00 0.00 57.85 57.56 2occ n ARG 54 Cb 0.66 -3.79 -0.00 0.00 0.00 0.00 0.00 32.46 29.33 2occ n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2occ s ILE 55 N -4.27 2.52 -0.45 0.55 -1.09 -1.26 -4.76 121.20 112.45 2occ s ILE 55 Ca 0.01 0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.97 2occ s ILE 55 Cb -0.01 -3.29 0.19 0.00 -1.58 0.00 0.00 42.46 37.77 2occ s ILE 55 CO 0.97 0.08 0.50 0.54 -1.23 0.00 0.00 174.94 175.81 2occ n ARG 56 N 0.22 0.37 0.09 2.79 3.00 -1.26 -4.95 116.66 116.92 2occ n ARG 56 Ca 0.03 -2.75 0.08 0.00 -0.01 0.00 0.00 57.85 55.20 2occ n ARG 56 Cb 0.43 -1.56 -0.02 0.00 0.00 0.00 0.00 32.46 31.31 2occ n ARG 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2occ h THR 57 N 4.44 0.18 -2.33 0.55 1.35 -2.01 -3.46 112.91 111.64 2occ h THR 57 Ca 0.17 -1.35 -0.06 0.00 -0.55 0.00 0.00 66.41 64.62 2occ h THR 57 Cb 0.98 1.72 -0.23 0.00 -1.73 0.00 0.00 68.15 68.88 2occ h THR 57 CO 0.26 0.10 -0.10 -0.75 -0.25 0.00 0.00 175.52 174.79 2occ s LYS 58 N -3.21 0.60 0.37 4.72 2.20 -1.26 -5.14 119.74 118.03 2occ s LYS 58 Ca -0.01 0.93 -0.28 0.00 -0.36 0.00 0.00 55.97 56.26 2occ s LYS 58 Cb 0.09 0.17 -0.10 0.00 -1.51 0.00 0.00 37.83 36.47 2occ s LYS 58 CO 0.79 -0.12 1.38 -1.25 -0.36 0.00 0.00 175.35 175.79 2occ s PRO 59 N 1.04 4.13 0.41 4.03 0.04 -1.26 -4.95 135.00 138.44 2occ s PRO 59 Ca -0.06 2.35 -0.27 0.00 0.04 0.00 0.00 61.00 63.06 2occ s PRO 59 Cb -0.06 -2.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.45 2occ s PRO 59 CO -0.10 -0.43 1.46 1.19 0.04 0.00 0.00 177.00 179.17 2occ n PHE 60 N 0.46 2.86 0.72 0.56 3.72 -0.92 -4.86 117.46 120.01 2occ n PHE 60 Ca 0.01 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 2occ n PHE 60 Cb 0.41 -2.50 0.00 0.00 -0.94 0.00 0.00 39.48 36.45 2occ n PHE 60 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2occ n SER 61 N 0.22 2.06 -3.65 4.37 3.41 -1.26 -3.94 113.62 114.82 2occ n SER 61 Ca 0.03 -1.44 -0.15 0.00 -0.26 0.00 0.00 58.87 57.04 2occ n SER 61 Cb 0.40 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.91 2occ n SER 61 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 2occ s TRP 62 N 0.19 -0.39 0.00 7.33 -2.14 -1.26 -5.04 118.94 117.63 2occ s TRP 62 Ca 0.00 0.63 0.00 0.00 2.66 0.00 0.00 56.10 59.39 2occ s TRP 62 Cb 0.00 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.61 2occ s TRP 62 CO 0.00 -0.49 0.00 0.41 -2.66 0.00 0.00 176.95 174.21 2occ n GLY 63 N 1.09 3.07 0.87 3.67 0.00 -1.26 -1.61 105.19 111.01 2occ n GLY 63 Ca -0.20 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.67 2occ n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2occ n ASP 64 N 4.81 2.52 -0.67 1.61 5.75 -1.26 -4.94 116.55 124.36 2occ n ASP 64 Ca 0.00 -1.99 -0.09 0.00 -0.01 0.00 0.00 54.79 52.71 2occ n ASP 64 Cb 0.00 -0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 2occ n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2occ n GLY 65 N 1.25 0.95 0.00 6.12 0.00 -0.63 -4.78 105.19 108.10 2occ n GLY 65 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2occ n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2occ n ASN 66 N -0.59 0.59 -4.29 1.61 5.15 -1.26 -2.16 115.26 114.31 2occ n ASN 66 Ca -0.09 -1.10 -0.33 0.00 -0.60 0.00 0.00 54.58 52.46 2occ n ASN 66 Cb 0.45 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.55 2occ n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2occ s HIS 67 N -0.10 2.83 0.81 1.20 3.76 -1.26 -4.87 115.29 117.65 2occ s HIS 67 Ca 0.00 -0.95 -0.12 0.00 -0.15 0.00 0.00 55.06 53.84 2occ s HIS 67 Cb 0.00 -1.92 0.08 0.00 1.11 0.00 0.00 32.58 31.85 2occ s HIS 67 CO 0.00 -0.44 1.14 0.95 -0.85 0.00 0.00 174.74 175.54 2occ s THR 68 N 0.86 2.59 0.25 1.30 -4.23 -1.26 -4.92 115.64 110.23 2occ s THR 68 Ca -0.04 0.22 -0.05 0.00 -1.18 0.00 0.00 61.69 60.65 2occ s THR 68 Cb -0.15 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.38 2occ s THR 68 CO -0.00 -0.22 1.67 0.15 -0.54 0.00 0.00 174.62 175.68 2occ h PHE 69 N -1.11 0.23 -1.77 3.99 3.57 -1.99 -2.35 116.94 117.51 2occ h PHE 69 Ca -0.45 0.05 -0.68 0.00 3.53 0.00 0.00 57.97 60.42 2occ h PHE 69 Cb 1.26 0.01 -0.35 0.00 2.79 0.00 0.00 35.95 39.67 2occ h PHE 69 CO 0.52 -0.12 0.16 1.19 -2.23 0.00 0.00 178.31 177.83 2occ n PHE 70 N -5.19 3.21 -1.85 0.41 3.01 -1.26 -5.04 117.46 110.75 2occ n PHE 70 Ca 0.15 -2.74 -0.42 0.00 1.01 0.00 0.00 57.45 55.44 2occ n PHE 70 Cb 0.48 -0.63 -0.03 0.00 -0.01 0.00 0.00 39.48 39.29 2occ n PHE 70 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2occ s HIS 71 N -3.81 2.13 -0.36 1.38 2.46 -0.89 -4.98 115.29 111.22 2occ s HIS 71 Ca 0.50 0.11 -0.02 0.00 0.47 0.00 0.00 55.06 56.12 2occ s HIS 71 Cb 0.41 -4.05 0.09 0.00 -0.13 0.00 0.00 32.58 28.90 2occ s HIS 71 CO -0.30 -4.35 0.11 1.21 -2.47 0.00 0.00 174.74 168.93 2occ s ASN 72 N 2.90 5.05 0.44 9.88 3.84 -1.26 -4.98 114.94 130.80 2occ s ASN 72 Ca 0.78 -1.76 0.24 0.00 0.21 0.00 0.00 52.86 52.33 2occ s ASN 72 Cb -0.41 -1.76 1.25 0.00 -0.55 0.00 0.00 41.25 39.79 2occ s ASN 72 CO 0.34 -0.41 1.77 -0.65 -2.79 0.00 0.00 177.10 175.35 2occ h PRO 73 N 7.97 0.25 -0.09 0.43 0.11 -1.94 0.22 132.00 138.95 2occ h PRO 73 Ca -0.15 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.86 2occ h PRO 73 Cb 1.05 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2occ h PRO 73 CO 0.61 0.17 -0.33 -0.09 -0.21 0.00 0.00 178.00 178.15 2occ h ARG 74 N 0.26 0.18 0.00 1.05 2.43 -2.00 -3.35 114.38 112.94 2occ h ARG 74 Ca 0.61 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.71 2occ h ARG 74 Cb 1.81 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 2occ h ARG 74 CO -0.23 0.49 -0.16 1.33 -1.51 0.00 0.00 179.97 179.89 2occ n VAL 75 N -4.11 0.00 -3.89 0.20 0.24 0.00 -4.72 118.33 106.06 2occ n VAL 75 Ca -0.01 -0.34 -0.35 0.00 -2.04 0.00 0.00 64.34 61.60 2occ n VAL 75 Cb 0.40 0.89 -0.13 0.00 -1.47 0.00 0.00 33.84 33.53 2occ n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2occ s ASN 76 N -0.99 4.95 0.54 -1.34 0.02 0.57 -4.85 114.94 113.84 2occ s ASN 76 Ca 0.00 -1.25 -0.17 0.00 -1.02 0.00 0.00 52.86 50.43 2occ s ASN 76 Cb 0.00 -1.73 -0.06 0.00 0.02 0.00 0.00 41.25 39.47 2occ s ASN 76 CO 0.00 -0.27 1.02 -2.16 0.02 0.00 0.00 177.10 175.71 2occ s PRO 77 N 1.28 3.69 0.89 -0.60 0.04 -1.26 -4.60 135.00 134.43 2occ s PRO 77 Ca -0.05 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 61.97 2occ s PRO 77 Cb -0.20 -2.09 0.19 0.00 0.04 0.00 0.00 34.50 32.44 2occ s PRO 77 CO -0.00 -0.50 1.23 -0.51 0.04 0.00 0.00 177.00 177.25 2occ s LEU 78 N -4.19 2.81 0.62 -3.56 1.02 -0.67 -4.88 118.68 109.84 2occ s LEU 78 Ca 0.61 0.01 0.34 0.00 0.02 0.00 0.00 54.13 55.12 2occ s LEU 78 Cb -0.13 -2.11 1.98 0.00 0.02 0.00 0.00 46.19 45.95 2occ s LEU 78 CO 0.32 -2.51 2.25 -0.65 0.02 0.00 0.00 176.35 175.78 2occ h PRO 79 N -1.32 0.00 -0.65 1.29 0.11 -1.89 -1.68 132.00 127.86 2occ h PRO 79 Ca -0.41 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 2occ h PRO 79 Cb 1.24 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 2occ h PRO 79 CO 0.37 0.00 0.16 0.25 -0.21 0.00 0.00 178.00 178.56 2occ n THR 80 N -3.53 2.84 0.00 -1.15 -2.24 -1.26 -4.92 114.28 104.02 2occ n THR 80 Ca -0.02 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.15 2occ n THR 80 Cb 0.14 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 2occ n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2occ n GLY 81 N 0.06 0.63 3.70 3.38 0.00 -0.63 -5.00 105.19 107.32 2occ n GLY 81 Ca 0.35 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 2occ n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2occ n TYR 82 N 0.83 1.91 0.19 1.61 4.01 -1.26 -1.67 117.16 122.78 2occ n TYR 82 Ca 0.00 0.47 0.04 0.00 -0.16 0.00 0.00 57.90 58.25 2occ n TYR 82 Cb 0.00 -2.32 0.40 0.00 -0.31 0.00 0.00 39.34 37.10 2occ n TYR 82 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2occ h GLU 83 N 1.53 0.00 0.00 -0.72 5.08 -1.86 -3.46 114.58 115.15 2occ h GLU 83 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2occ h GLU 83 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2occ h GLU 83 CO 0.57 0.35 0.00 1.63 -1.00 0.00 0.00 179.01 180.56