#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl n SER 2 N 0.00 0.27 0.00 0.00 2.88 -1.26 -5.09 113.62 110.41 3abl n SER 2 Ca 0.00 -0.61 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 3abl n SER 2 Cb 0.00 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 3abl n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abl n ALA 3 N -0.35 0.00 0.00 -1.46 0.00 -1.26 -4.27 120.51 113.17 3abl n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abl n ALA 3 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3abl n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3abl n ALA 4 N 0.72 0.00 -2.93 0.00 0.00 -1.26 -5.14 120.51 111.91 3abl n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abl n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3abl n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abl n LYS 5 N 0.00 0.01 0.05 0.00 5.02 -1.26 -5.16 118.16 116.82 3abl n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3abl n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3abl n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abl n GLY 6 N 5.00 -1.84 0.03 0.72 0.00 -1.26 -5.10 105.19 102.73 3abl n GLY 6 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3abl n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3abl n ASP 7 N -2.54 -0.04 0.00 1.61 -0.08 -1.26 -4.84 116.55 109.40 3abl n ASP 7 Ca 0.00 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 3abl n ASP 7 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 3abl n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3abl n HIS 8 N -4.15 0.00 -2.46 -0.67 8.25 -1.26 -4.58 115.22 110.35 3abl n HIS 8 Ca 0.01 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.15 3abl n HIS 8 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 3abl n HIS 8 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3abl n GLY 9 N 0.00 5.82 0.00 -1.41 0.00 -1.26 -5.13 105.19 103.21 3abl n GLY 9 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.34 3abl n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abl n GLY 10 N -0.39 3.16 0.00 -0.02 0.00 -1.26 -5.28 105.19 101.40 3abl n GLY 10 Ca 0.42 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3abl n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abl n GLY 12 N -1.17 0.95 0.29 -0.02 0.00 -1.26 -4.88 105.19 99.09 3abl n GLY 12 Ca 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 46.02 44.32 3abl n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abl h ALA 13 N 0.00 0.97 -0.62 4.61 0.00 -2.05 -1.10 119.26 121.07 3abl h ALA 13 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3abl h ALA 13 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3abl h ALA 13 CO 0.00 0.34 0.39 -0.09 0.00 0.00 0.00 179.25 179.89 3abl h ARG 14 N 0.99 0.77 -0.26 0.00 2.43 -1.99 -0.46 114.38 115.86 3abl h ARG 14 Ca 0.29 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3abl h ARG 14 Cb -0.07 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3abl h ARG 14 CO -0.08 0.51 0.10 1.15 -1.51 0.00 0.00 179.97 180.14 3abl h THR 15 N 0.79 1.17 -0.41 0.20 2.02 -1.73 -0.40 112.91 114.55 3abl h THR 15 Ca 0.24 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 3abl h THR 15 Cb -0.04 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3abl h THR 15 CO -0.08 0.18 0.04 -0.50 0.37 0.00 0.00 175.52 175.53 3abl h TRP 16 N 0.27 0.66 -0.30 3.16 4.06 -0.79 -1.23 115.95 121.78 3abl h TRP 16 Ca 0.09 -0.06 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 3abl h TRP 16 Cb 0.19 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.14 3abl h TRP 16 CO -0.01 0.60 -0.29 -0.09 -3.56 0.00 0.00 178.44 175.10 3abl h ARG 17 N 0.61 0.62 -0.61 0.49 2.43 -0.93 -0.59 114.38 116.40 3abl h ARG 17 Ca 0.13 -0.26 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 3abl h ARG 17 Cb 0.32 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3abl h ARG 17 CO 0.01 0.84 0.10 0.35 -1.51 0.00 0.00 179.97 179.76 3abl h PHE 18 N 0.53 1.08 -0.57 2.20 -0.00 -0.66 -1.60 116.94 117.92 3abl h PHE 18 Ca 0.07 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.97 57.81 3abl h PHE 18 Cb 0.77 -0.30 -0.02 0.00 -0.00 0.00 0.00 35.95 36.40 3abl h PHE 18 CO 0.03 0.92 0.04 -0.07 -0.00 0.00 0.00 178.31 179.24 3abl h LEU 19 N 0.92 0.90 0.45 0.59 3.38 -0.97 0.10 115.31 120.69 3abl h LEU 19 Ca 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3abl h LEU 19 Cb 0.42 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3abl h LEU 19 CO 0.01 0.94 -0.22 0.74 0.09 0.00 0.00 178.44 180.00 3abl h THR 20 N 0.88 0.54 0.00 0.22 2.02 -0.65 0.36 112.91 116.28 3abl h THR 20 Ca 0.17 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.19 3abl h THR 20 Cb 0.46 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 3abl h THR 20 CO 0.02 0.00 -0.79 -0.26 0.37 0.00 0.00 175.52 174.86 3abl h PHE 21 N -0.62 0.00 0.00 3.16 0.05 -1.33 0.12 116.94 118.32 3abl h PHE 21 Ca -0.06 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.73 3abl h PHE 21 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.43 3abl h PHE 21 CO -0.05 0.77 -1.15 0.41 -0.18 0.00 0.00 178.31 178.11 3abl n GLY 22 N 1.30 -0.70 1.33 -1.45 0.00 0.36 -4.37 105.19 101.65 3abl n GLY 22 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3abl n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3abl n LEU 23 N -1.64 0.23 0.20 0.99 7.94 -0.67 -4.79 117.00 119.24 3abl n LEU 23 Ca 0.01 0.08 -0.12 0.00 -1.11 0.00 0.00 56.01 54.87 3abl n LEU 23 Cb 0.34 -0.03 -0.07 0.00 0.53 0.00 0.00 43.42 44.19 3abl n LEU 23 CO 0.36 -0.36 0.41 0.00 -1.11 0.00 0.00 177.39 176.70 3abl h ALA 24 N 0.00 -0.54 -0.60 1.96 0.00 -0.68 -2.34 119.26 117.06 3abl h ALA 24 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3abl h ALA 24 Cb 0.46 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3abl h ALA 24 CO 0.00 -0.59 0.07 -0.07 0.00 0.00 0.00 179.25 178.66 3abl h LEU 25 N -0.97 0.98 -1.56 0.00 3.38 -1.02 -1.53 115.31 114.58 3abl h LEU 25 Ca -0.06 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.74 3abl h LEU 25 Cb 0.55 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3abl h LEU 25 CO 0.09 1.01 0.44 -0.65 0.09 0.00 0.00 178.44 179.42 3abl h PRO 26 N 0.92 0.47 -0.10 1.13 0.11 -1.76 -0.17 132.00 132.59 3abl h PRO 26 Ca 0.18 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3abl h PRO 26 Cb 0.46 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3abl h PRO 26 CO 0.02 0.31 -0.11 0.77 -0.21 0.00 0.00 178.00 178.78 3abl h SER 27 N 0.48 0.27 -0.90 -2.05 0.02 -0.76 -1.04 113.55 109.57 3abl h SER 27 Ca 0.31 -0.49 0.15 0.00 -0.84 0.00 0.00 61.79 60.93 3abl h SER 27 Cb 0.56 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 62.93 3abl h SER 27 CO -0.10 0.71 0.50 0.58 -1.14 0.00 0.00 176.83 177.38 3abl h VAL 28 N -0.16 0.74 -0.12 2.27 2.07 -0.94 0.15 116.25 120.26 3abl h VAL 28 Ca 0.02 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 3abl h VAL 28 Cb 0.63 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3abl h VAL 28 CO 0.03 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 177.68 3abl h ALA 29 N 1.58 0.17 -0.15 1.67 0.00 -0.79 0.17 119.26 121.91 3abl h ALA 29 Ca 0.50 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3abl h ALA 29 Cb 0.70 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3abl h ALA 29 CO -0.36 -0.04 -0.09 -0.07 0.00 0.00 0.00 179.25 178.69 3abl h LEU 30 N -0.11 -0.29 -1.74 0.00 3.38 -1.11 -1.15 115.31 114.30 3abl h LEU 30 Ca 0.02 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3abl h LEU 30 Cb 0.53 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3abl h LEU 30 CO 0.02 -0.12 -0.14 0.00 0.09 0.00 0.00 178.44 178.29 3abl h THR 32 N 0.00 1.37 -0.13 0.00 2.02 -0.34 -1.00 112.91 114.82 3abl h THR 32 Ca -0.00 -1.28 0.04 0.00 0.77 0.00 0.00 66.41 65.93 3abl h THR 32 Cb 0.24 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.61 3abl h THR 32 CO 0.02 0.36 -0.11 0.25 0.37 0.00 0.00 175.52 176.41 3abl h LEU 33 N -0.17 -0.34 -0.62 2.58 7.12 -1.16 -1.51 115.31 121.21 3abl h LEU 33 Ca 0.01 0.07 0.09 0.00 0.13 0.00 0.00 57.88 58.18 3abl h LEU 33 Cb 0.63 0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.87 3abl h LEU 33 CO 0.03 -0.15 0.26 -1.13 -0.13 0.00 0.00 178.44 177.32 3abl h ASN 34 N -0.12 0.30 0.14 1.25 -0.73 -1.17 -2.60 115.58 112.64 3abl h ASN 34 Ca 0.09 0.07 -0.08 0.00 1.87 0.00 0.00 56.30 58.24 3abl h ASN 34 Cb 0.25 0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 3abl h ASN 34 CO -0.21 0.18 -0.28 0.28 -0.37 0.00 0.00 177.43 177.03 3abl h SER 35 N 0.46 0.24 -1.75 1.15 0.02 -0.95 -2.81 113.55 109.92 3abl h SER 35 Ca 0.31 -0.08 -0.73 0.00 -0.84 0.00 0.00 61.79 60.45 3abl h SER 35 Cb 0.35 -0.06 -0.22 0.00 0.14 0.00 0.00 62.40 62.60 3abl h SER 35 CO -0.28 0.52 1.26 0.79 -1.14 0.00 0.00 176.83 177.98 3abl n TRP 36 N -4.14 2.59 0.15 3.45 5.03 -0.59 -2.58 117.44 121.36 3abl n TRP 36 Ca -0.01 -2.46 0.00 0.00 3.03 0.00 0.00 57.50 58.06 3abl n TRP 36 Cb 0.38 -1.37 0.00 0.00 -1.03 0.00 0.00 31.31 29.29 3abl n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3abl n LEU 37 N 0.38 -2.72 -0.27 -0.99 7.94 -1.24 -4.82 117.00 115.28 3abl n LEU 37 Ca 0.53 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3abl n LEU 37 Cb 0.30 2.69 0.00 0.00 0.53 0.00 0.00 43.42 46.93 3abl n LEU 37 CO 0.52 0.16 0.30 1.41 -1.11 0.00 0.00 177.39 178.67 3abl n HIS 38 N -3.19 0.00 -2.99 1.96 8.25 -1.06 -4.75 115.22 113.44 3abl n HIS 38 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 3abl n HIS 38 Cb 0.00 -0.05 0.06 0.00 1.12 0.00 0.00 29.99 31.12 3abl n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3abl s SER 39 N -0.63 5.14 0.00 0.41 1.04 -1.06 -5.00 113.70 113.60 3abl s SER 39 Ca 0.00 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3abl s SER 39 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3abl s SER 39 CO 0.00 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.55 3abl n GLY 40 N -2.22 2.14 3.72 7.32 0.00 -1.26 -5.05 105.19 109.84 3abl n GLY 40 Ca 0.14 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 3abl n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3abl s HIS 41 N -0.03 3.22 0.02 1.61 3.76 -1.26 -5.00 115.29 117.61 3abl s HIS 41 Ca 0.00 0.91 -0.30 0.00 -0.15 0.00 0.00 55.06 55.52 3abl s HIS 41 Cb 0.00 -3.71 -0.04 0.00 1.11 0.00 0.00 32.58 29.94 3abl s HIS 41 CO 0.00 -2.52 0.98 1.03 -0.85 0.00 0.00 174.74 173.38 3abl s ARG 42 N 1.10 4.58 -0.39 1.40 0.52 -1.26 -4.99 118.95 119.92 3abl s ARG 42 Ca 0.65 1.43 -0.40 0.00 -0.52 0.00 0.00 55.73 56.90 3abl s ARG 42 Cb -0.38 -3.44 -0.15 0.00 0.52 0.00 0.00 34.95 31.50 3abl s ARG 42 CO 0.30 -0.01 2.06 -1.91 0.02 0.00 0.00 175.30 175.77 3abl n GLU 43 N 3.71 0.69 -1.80 3.54 0.00 -1.26 -4.91 120.64 120.62 3abl n GLU 43 Ca 0.05 0.21 -0.41 0.00 0.00 0.00 0.00 57.16 57.01 3abl n GLU 43 Cb 0.51 -2.04 -0.00 0.00 0.00 0.00 0.00 31.44 29.91 3abl n GLU 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.13 176.15 3abl s ARG 44 N 5.49 4.10 0.46 5.31 1.70 -1.26 -4.95 118.95 129.81 3abl s ARG 44 Ca 1.11 2.58 -0.20 0.00 -0.47 0.00 0.00 55.73 58.75 3abl s ARG 44 Cb -1.14 -2.97 -0.10 0.00 -0.57 0.00 0.00 34.95 30.18 3abl s ARG 44 CO 0.59 -0.55 0.98 -1.25 -1.08 0.00 0.00 175.30 174.00 3abl s PRO 45 N -2.04 4.05 0.24 3.89 0.04 -1.26 -4.97 135.00 134.95 3abl s PRO 45 Ca 0.53 1.18 -0.28 0.00 0.04 0.00 0.00 61.00 62.47 3abl s PRO 45 Cb -0.47 -2.15 -0.16 0.00 0.04 0.00 0.00 34.50 31.77 3abl s PRO 45 CO 0.63 -0.19 0.70 0.00 0.04 0.00 0.00 177.00 178.18 3abl n ALA 46 N -0.86 -1.82 -2.40 8.56 0.00 -1.26 -4.94 120.51 117.80 3abl n ALA 46 Ca 0.08 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 3abl n ALA 46 Cb 0.54 -1.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 3abl n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3abl s PHE 47 N -1.05 3.75 -0.10 0.00 2.19 -1.26 -5.04 117.98 116.47 3abl s PHE 47 Ca 0.62 1.57 -0.02 0.00 0.33 0.00 0.00 56.93 59.43 3abl s PHE 47 Cb -0.83 -2.91 0.04 0.00 -1.31 0.00 0.00 43.02 38.01 3abl s PHE 47 CO 0.58 0.23 0.03 0.42 1.83 0.00 0.00 175.22 178.31 3abl s ILE 48 N 0.07 0.21 -0.73 3.12 1.01 -1.26 -5.06 121.20 118.57 3abl s ILE 48 Ca 0.42 0.05 -0.05 0.00 0.00 0.00 0.00 60.65 61.07 3abl s ILE 48 Cb -0.21 -0.52 -0.06 0.00 0.01 0.00 0.00 42.46 41.67 3abl s ILE 48 CO 0.25 0.09 2.07 -0.81 0.00 0.00 0.00 174.94 176.54 3abl n PRO 49 N 5.19 1.83 -1.58 2.79 -0.04 -1.26 -4.93 135.00 137.00 3abl n PRO 49 Ca -0.06 -1.26 -0.46 0.00 -0.04 0.00 0.00 63.50 61.67 3abl n PRO 49 Cb 0.49 -2.32 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 3abl n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3abl n TYR 50 N 3.99 1.22 1.14 0.54 4.01 -1.26 -4.89 117.16 121.91 3abl n TYR 50 Ca 0.39 0.70 0.13 0.00 -0.16 0.00 0.00 57.90 58.97 3abl n TYR 50 Cb 0.18 -2.25 0.48 0.00 -0.31 0.00 0.00 39.34 37.44 3abl n TYR 50 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3abl n HIS 51 N 0.63 0.00 1.36 -0.72 8.25 -1.26 -3.27 115.22 120.21 3abl n HIS 51 Ca 0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.71 3abl n HIS 51 Cb 0.29 -0.29 0.41 0.00 1.12 0.00 0.00 29.99 31.52 3abl n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3abl n HIS 52 N -1.27 0.00 -4.51 4.41 1.44 -1.26 -4.89 115.22 109.13 3abl n HIS 52 Ca 0.09 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.56 3abl n HIS 52 Cb 0.32 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.32 3abl n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3abl s LEU 53 N -2.04 2.66 -1.25 2.39 1.43 -1.20 -4.79 118.68 115.87 3abl s LEU 53 Ca 0.35 -1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.13 3abl s LEU 53 Cb 0.21 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 3abl s LEU 53 CO 0.34 -0.22 0.63 0.54 0.23 0.00 0.00 176.35 177.88 3abl n ARG 54 N -0.72 -2.08 -2.49 1.70 3.00 -1.26 -4.84 116.66 109.96 3abl n ARG 54 Ca -0.05 0.41 -0.41 0.00 -0.01 0.00 0.00 57.85 57.79 3abl n ARG 54 Cb 0.63 -4.20 -0.04 0.00 0.00 0.00 0.00 32.46 28.85 3abl n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3abl s ILE 55 N -3.67 3.74 -0.42 0.55 -1.09 -1.26 -4.74 121.20 114.31 3abl s ILE 55 Ca 0.28 1.56 0.02 0.00 -2.23 0.00 0.00 60.65 60.27 3abl s ILE 55 Cb -0.11 -4.00 0.14 0.00 -1.58 0.00 0.00 42.46 36.92 3abl s ILE 55 CO 0.88 0.30 0.26 -0.13 -1.23 0.00 0.00 174.94 175.01 3abl s ARG 56 N -0.65 1.01 0.05 2.79 1.81 -1.26 -4.93 118.95 117.77 3abl s ARG 56 Ca 0.48 -1.83 0.22 0.00 -1.72 0.00 0.00 55.73 52.88 3abl s ARG 56 Cb -0.30 -1.86 -0.13 0.00 -0.45 0.00 0.00 34.95 32.21 3abl s ARG 56 CO 0.37 -1.22 0.82 0.25 -0.68 0.00 0.00 175.30 174.83 3abl n THR 57 N 3.54 0.19 -3.62 0.02 -2.24 -1.26 -4.99 114.28 105.93 3abl n THR 57 Ca 0.14 -0.38 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 3abl n THR 57 Cb 0.38 0.08 -0.07 0.00 -2.10 0.00 0.00 70.33 68.61 3abl n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3abl s LYS 58 N -3.34 0.86 0.58 -0.78 2.20 -1.26 -5.13 119.74 112.87 3abl s LYS 58 Ca -0.01 0.89 -0.20 0.00 -0.36 0.00 0.00 55.97 56.28 3abl s LYS 58 Cb 0.13 0.42 -0.04 0.00 -1.51 0.00 0.00 37.83 36.83 3abl s LYS 58 CO 0.84 -0.13 1.30 -2.14 -0.36 0.00 0.00 175.35 174.87 3abl s PRO 59 N 0.16 2.97 0.75 4.03 0.02 -1.26 -4.95 135.00 136.72 3abl s PRO 59 Ca -0.01 2.09 -0.15 0.00 0.02 0.00 0.00 61.00 62.95 3abl s PRO 59 Cb -0.04 -2.09 0.05 0.00 0.02 0.00 0.00 34.50 32.44 3abl s PRO 59 CO 0.02 -1.28 1.22 -0.06 -0.33 0.00 0.00 177.00 176.57 3abl s PHE 60 N -1.39 1.95 -0.23 6.54 0.40 0.29 -4.90 117.98 120.63 3abl s PHE 60 Ca 0.76 1.61 0.02 0.00 -0.60 0.00 0.00 56.93 58.71 3abl s PHE 60 Cb -0.37 -3.51 0.20 0.00 0.51 0.00 0.00 43.02 39.84 3abl s PHE 60 CO 0.42 -2.77 1.20 0.43 0.70 0.00 0.00 175.22 175.20 3abl n SER 61 N -2.84 3.08 -3.54 1.36 7.64 -1.26 -3.97 113.62 114.08 3abl n SER 61 Ca 0.14 -2.43 -0.11 0.00 1.01 0.00 0.00 58.87 57.48 3abl n SER 61 Cb 0.50 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 3abl n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3abl s TRP 62 N -1.02 -0.35 0.00 1.43 -2.14 -1.26 -5.05 118.94 110.55 3abl s TRP 62 Ca 0.16 0.07 0.00 0.00 2.66 0.00 0.00 56.10 58.99 3abl s TRP 62 Cb 0.13 0.39 0.00 0.00 -3.10 0.00 0.00 33.47 30.90 3abl s TRP 62 CO 0.03 -0.77 0.00 0.41 -2.66 0.00 0.00 176.95 173.96 3abl n GLY 63 N -0.30 2.81 0.44 3.67 0.00 -1.26 -2.07 105.19 108.47 3abl n GLY 63 Ca -0.16 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 45.64 3abl n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3abl n ASP 64 N 1.33 1.27 0.00 1.61 5.75 -1.26 -4.90 116.55 120.35 3abl n ASP 64 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3abl n ASP 64 Cb 0.00 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3abl n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3abl n GLY 65 N 0.91 1.66 0.00 6.12 0.00 -0.88 -4.83 105.19 108.18 3abl n GLY 65 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3abl n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3abl n ASN 66 N 0.00 0.80 -4.50 1.61 5.15 -1.26 -0.55 115.26 116.51 3abl n ASN 66 Ca 0.00 -0.92 -0.33 0.00 -0.60 0.00 0.00 54.58 52.72 3abl n ASN 66 Cb 0.00 0.13 -0.12 0.00 -0.53 0.00 0.00 39.78 39.26 3abl n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3abl s HIS 67 N -0.13 2.90 0.78 1.20 3.76 -1.26 -4.89 115.29 117.65 3abl s HIS 67 Ca 0.00 -0.23 -0.12 0.00 -0.15 0.00 0.00 55.06 54.56 3abl s HIS 67 Cb 0.00 -1.80 0.06 0.00 1.11 0.00 0.00 32.58 31.96 3abl s HIS 67 CO 0.00 0.09 1.12 0.95 -0.85 0.00 0.00 174.74 176.05 3abl s THR 68 N -0.23 2.93 0.26 1.30 -4.23 -1.26 -4.91 115.64 109.50 3abl s THR 68 Ca 0.03 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.86 3abl s THR 68 Cb -0.13 -2.74 0.23 0.00 1.34 0.00 0.00 72.50 71.20 3abl s THR 68 CO 0.03 -0.36 1.77 0.15 -0.54 0.00 0.00 174.62 175.67 3abl h PHE 69 N -0.98 0.77 -1.19 3.99 3.04 -1.99 -1.44 116.94 119.13 3abl h PHE 69 Ca -0.44 0.03 -0.61 0.00 3.98 0.00 0.00 57.97 60.93 3abl h PHE 69 Cb 1.25 -0.22 -0.38 0.00 2.56 0.00 0.00 35.95 39.16 3abl h PHE 69 CO 0.54 0.21 -0.28 1.19 -2.02 0.00 0.00 178.31 177.96 3abl n PHE 70 N -4.85 3.07 -1.64 0.41 0.99 -1.26 -5.05 117.46 109.12 3abl n PHE 70 Ca 0.16 -2.65 -0.48 0.00 -0.00 0.00 0.00 57.45 54.48 3abl n PHE 70 Cb 0.40 -0.55 -0.05 0.00 -1.00 0.00 0.00 39.48 38.28 3abl n PHE 70 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.76 178.34 3abl n HIS 71 N -0.65 2.01 -3.97 1.38 -0.00 -0.54 -4.97 115.22 108.47 3abl n HIS 71 Ca 0.47 0.39 -0.33 0.00 0.46 0.00 0.00 57.72 58.71 3abl n HIS 71 Cb 0.73 -2.47 -0.14 0.00 -0.12 0.00 0.00 29.99 27.98 3abl n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3abl s ASN 72 N 0.98 4.75 0.42 0.26 3.84 -1.26 -5.00 114.94 118.93 3abl s ASN 72 Ca 0.82 -1.56 0.18 0.00 0.21 0.00 0.00 52.86 52.52 3abl s ASN 72 Cb -0.79 -1.65 1.10 0.00 -0.55 0.00 0.00 41.25 39.37 3abl s ASN 72 CO 0.42 -0.29 1.84 -0.65 -2.79 0.00 0.00 177.10 175.63 3abl h PRO 73 N 7.85 0.38 -0.14 0.43 0.11 -1.93 0.15 132.00 138.86 3abl h PRO 73 Ca -0.16 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.86 3abl h PRO 73 Cb 1.04 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3abl h PRO 73 CO 0.52 0.25 -0.19 -0.09 -0.21 0.00 0.00 178.00 178.28 3abl h ARG 74 N 0.39 0.23 0.00 1.05 1.12 -1.95 -3.38 114.38 111.84 3abl h ARG 74 Ca 0.50 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.31 3abl h ARG 74 Cb 1.28 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 3abl h ARG 74 CO -0.20 0.42 -0.09 1.33 -3.11 0.00 0.00 179.97 178.32 3abl n VAL 75 N -4.22 0.00 -3.71 0.20 0.24 -0.15 -4.88 118.33 105.81 3abl n VAL 75 Ca -0.01 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.34 61.64 3abl n VAL 75 Cb 0.31 0.90 -0.11 0.00 -1.47 0.00 0.00 33.84 33.47 3abl n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3abl s ASN 76 N -0.72 5.40 0.69 -1.34 0.01 0.36 -4.98 114.94 114.35 3abl s ASN 76 Ca 0.00 -1.55 -0.11 0.00 -0.71 0.00 0.00 52.86 50.49 3abl s ASN 76 Cb 0.00 -1.89 0.00 0.00 0.41 0.00 0.00 41.25 39.77 3abl s ASN 76 CO 0.00 -0.47 1.06 -2.16 -1.51 0.00 0.00 177.10 174.02 3abl s PRO 77 N 1.33 3.00 0.78 -0.60 0.04 -1.26 -4.72 135.00 133.57 3abl s PRO 77 Ca 0.02 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.67 3abl s PRO 77 Cb -0.22 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.37 3abl s PRO 77 CO 0.00 -0.99 1.14 -0.51 0.04 0.00 0.00 177.00 176.68 3abl s LEU 78 N -5.42 2.60 0.58 -3.56 1.43 0.00 -4.89 118.68 109.43 3abl s LEU 78 Ca 0.57 0.76 0.30 0.00 -1.03 0.00 0.00 54.13 54.73 3abl s LEU 78 Cb -0.12 -3.31 1.41 0.00 0.03 0.00 0.00 46.19 44.20 3abl s LEU 78 CO 0.54 -1.79 1.79 -0.65 0.23 0.00 0.00 176.35 176.47 3abl h PRO 79 N -0.93 0.00 -0.00 1.29 0.11 -1.90 -0.73 132.00 129.84 3abl h PRO 79 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3abl h PRO 79 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3abl h PRO 79 CO 0.65 0.00 -0.67 0.25 -0.21 0.00 0.00 178.00 178.02 3abl n THR 80 N -3.76 0.00 0.00 -1.15 -2.24 -1.26 -4.89 114.28 100.98 3abl n THR 80 Ca 0.15 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3abl n THR 80 Cb 0.94 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 3abl n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3abl n GLY 81 N 1.49 0.62 3.76 3.38 0.00 -0.28 -5.07 105.19 109.09 3abl n GLY 81 Ca 0.05 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 3abl n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3abl s TYR 82 N -0.94 2.53 0.64 1.61 2.02 -1.26 -0.82 117.35 121.13 3abl s TYR 82 Ca 0.00 1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 58.13 3abl s TYR 82 Cb 0.00 -3.27 -0.02 0.00 -0.40 0.00 0.00 41.96 38.28 3abl s TYR 82 CO 0.00 -1.84 1.05 -1.21 -1.57 0.00 0.00 175.55 171.98 3abl s GLU 83 N -3.82 3.21 0.00 -0.62 2.02 -1.26 -4.87 118.70 113.36 3abl s GLU 83 Ca 0.70 1.02 0.01 0.00 0.02 0.00 0.00 54.97 56.72 3abl s GLU 83 Cb -0.23 -2.03 0.09 0.00 0.10 0.00 0.00 34.13 32.06 3abl s GLU 83 CO 0.38 -0.88 0.58 1.63 0.02 0.00 0.00 175.26 176.99