#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n SER 2 N 0.00 0.91 0.00 0.00 2.88 -1.26 -5.08 113.62 111.08 3abm n SER 2 Ca 0.00 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.24 3abm n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3abm n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3abm n ALA 3 N -0.15 0.00 0.00 -1.46 0.00 -1.26 -4.20 120.51 113.45 3abm n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abm n ALA 3 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 3abm n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3abm n ALA 4 N 0.00 0.00 -3.00 0.00 0.00 -1.26 -5.17 120.51 111.08 3abm n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abm n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3abm n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abm n LYS 5 N 0.00 2.33 0.00 0.00 5.02 -1.26 -5.17 118.16 119.08 3abm n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3abm n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3abm n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3abm n GLY 6 N 3.73 -1.50 2.03 0.72 0.00 -1.26 -5.11 105.19 103.79 3abm n GLY 6 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3abm n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3abm n ASP 7 N -1.61 0.00 0.00 1.61 -0.08 -1.26 -4.88 116.55 110.33 3abm n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3abm n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3abm n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 3abm n HIS 8 N 0.00 0.00 -0.06 -0.67 8.25 -1.26 -4.77 115.22 116.71 3abm n HIS 8 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3abm n HIS 8 Cb 0.00 -0.05 -0.08 0.00 1.12 0.00 0.00 29.99 30.98 3abm n HIS 8 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3abm h GLY 9 N 0.00 -1.19 0.00 -1.41 0.00 -2.08 -3.52 103.07 94.86 3abm h GLY 9 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 47.33 48.04 3abm h GLY 9 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 176.54 176.89 3abm n GLY 10 N -1.33 4.08 0.00 4.60 0.00 -1.26 -5.31 105.19 105.97 3abm n GLY 10 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3abm n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abm n GLY 12 N 2.29 0.52 0.34 -0.02 0.00 -1.26 -4.96 105.19 102.10 3abm n GLY 12 Ca 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 46.02 44.16 3abm n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3abm h ALA 13 N 0.00 1.46 -0.96 4.61 0.00 -2.05 -2.27 119.26 120.06 3abm h ALA 13 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3abm h ALA 13 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3abm h ALA 13 CO 0.00 0.48 0.58 -0.09 0.00 0.00 0.00 179.25 180.22 3abm h ARG 14 N 0.95 1.30 -0.11 0.00 2.43 -2.00 0.14 114.38 117.08 3abm h ARG 14 Ca 0.25 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3abm h ARG 14 Cb -0.07 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.20 3abm h ARG 14 CO -0.05 0.90 0.03 1.15 -1.51 0.00 0.00 179.97 180.49 3abm h THR 15 N 1.32 1.19 -0.09 0.20 2.02 -1.79 0.71 112.91 116.47 3abm h THR 15 Ca 0.34 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 3abm h THR 15 Cb -0.07 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3abm h THR 15 CO -0.07 0.17 -0.46 -0.50 0.37 0.00 0.00 175.52 175.03 3abm h TRP 16 N -0.01 0.25 -0.29 3.16 4.06 -1.22 -0.82 115.95 121.08 3abm h TRP 16 Ca 0.04 -0.08 -0.12 0.00 2.06 0.00 0.00 58.89 60.79 3abm h TRP 16 Cb 0.23 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.33 3abm h TRP 16 CO 0.00 0.64 -0.31 -0.09 -3.56 0.00 0.00 178.44 175.12 3abm h ARG 17 N 0.17 0.62 -0.98 0.49 2.43 -0.67 -0.88 114.38 115.55 3abm h ARG 17 Ca 0.01 -0.27 0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3abm h ARG 17 Cb 0.88 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.35 3abm h ARG 17 CO 0.07 0.85 0.64 0.35 -1.51 0.00 0.00 179.97 180.37 3abm h PHE 18 N 0.53 1.18 -0.08 2.20 -0.00 0.08 -2.24 116.94 118.60 3abm h PHE 18 Ca 0.06 0.03 -0.23 0.00 -0.00 0.00 0.00 57.97 57.83 3abm h PHE 18 Cb 0.80 -0.39 0.01 0.00 -0.00 0.00 0.00 35.95 36.37 3abm h PHE 18 CO 0.03 0.62 -0.87 -0.07 -0.00 0.00 0.00 178.31 178.03 3abm h LEU 19 N 1.16 0.82 0.14 0.59 3.38 -1.05 0.20 115.31 120.56 3abm h LEU 19 Ca 0.42 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3abm h LEU 19 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3abm h LEU 19 CO -0.16 1.38 -0.20 0.74 0.09 0.00 0.00 178.44 180.30 3abm h THR 20 N 0.43 0.56 0.00 0.22 2.02 -0.73 -0.36 112.91 115.05 3abm h THR 20 Ca -0.08 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 3abm h THR 20 Cb 1.50 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 3abm h THR 20 CO 0.17 0.00 -0.70 -0.26 0.37 0.00 0.00 175.52 175.10 3abm h PHE 21 N -0.39 0.00 0.00 3.16 0.05 -1.47 0.11 116.94 118.40 3abm h PHE 21 Ca 0.02 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.81 3abm h PHE 21 Cb 0.39 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.34 3abm h PHE 21 CO -0.17 0.14 -1.70 0.41 -0.18 0.00 0.00 178.31 176.81 3abm n GLY 22 N 1.19 -0.92 1.36 -1.45 0.00 0.70 -4.39 105.19 101.69 3abm n GLY 22 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3abm n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3abm n LEU 23 N -2.03 0.12 0.04 0.99 7.94 -0.45 -4.78 117.00 118.83 3abm n LEU 23 Ca -0.02 0.05 -0.10 0.00 -1.11 0.00 0.00 56.01 54.83 3abm n LEU 23 Cb 0.48 -0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.35 3abm n LEU 23 CO 0.42 -0.29 0.35 0.00 -1.11 0.00 0.00 177.39 176.76 3abm h ALA 24 N 0.00 -0.20 -0.64 1.96 0.00 -1.04 -2.40 119.26 116.94 3abm h ALA 24 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 3abm h ALA 24 Cb 0.52 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3abm h ALA 24 CO 0.00 -0.26 0.11 -0.07 0.00 0.00 0.00 179.25 179.03 3abm h LEU 25 N -0.90 1.01 -0.69 0.00 3.38 -1.02 -1.71 115.31 115.39 3abm h LEU 25 Ca -0.02 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.79 3abm h LEU 25 Cb 0.51 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3abm h LEU 25 CO 0.03 1.01 0.30 -0.65 0.09 0.00 0.00 178.44 179.23 3abm h PRO 26 N 0.97 0.49 -0.96 1.13 0.11 -1.76 -0.88 132.00 131.09 3abm h PRO 26 Ca 0.19 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.32 3abm h PRO 26 Cb 0.43 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.37 3abm h PRO 26 CO 0.01 0.32 0.62 0.77 -0.21 0.00 0.00 178.00 179.52 3abm h SER 27 N 0.50 1.03 0.32 -2.05 0.02 -0.96 -0.53 113.55 111.89 3abm h SER 27 Ca 0.35 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.22 3abm h SER 27 Cb 0.43 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3abm h SER 27 CO -0.31 0.69 -0.35 0.58 -1.14 0.00 0.00 176.83 176.30 3abm h VAL 28 N 1.19 1.26 0.05 2.27 2.07 -0.43 -2.00 116.25 120.67 3abm h VAL 28 Ca 0.39 -1.26 -0.23 0.00 0.82 0.00 0.00 66.70 66.42 3abm h VAL 28 Cb 0.04 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3abm h VAL 28 CO -0.14 0.36 -1.06 0.00 0.02 0.00 0.00 177.57 176.76 3abm h ALA 29 N 1.60 0.30 -0.32 1.67 0.00 -0.01 -0.58 119.26 121.92 3abm h ALA 29 Ca 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 54.91 54.04 3abm h ALA 29 Cb 0.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3abm h ALA 29 CO 0.05 1.00 0.01 -0.07 0.00 0.00 0.00 179.25 180.24 3abm h LEU 30 N 0.08 0.54 -1.08 0.00 3.38 -0.97 -1.49 115.31 115.77 3abm h LEU 30 Ca -0.08 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 3abm h LEU 30 Cb 1.76 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3abm h LEU 30 CO 0.16 0.71 -0.20 0.00 0.09 0.00 0.00 178.44 179.21 3abm h THR 32 N 0.38 1.14 -0.04 0.00 2.02 -0.94 -2.07 112.91 113.40 3abm h THR 32 Ca 0.06 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3abm h THR 32 Cb 0.56 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 3abm h THR 32 CO 0.04 0.12 -0.03 -0.07 0.37 0.00 0.00 175.52 175.94 3abm h LEU 33 N -0.10 -0.10 -1.39 2.58 -0.00 -1.22 0.06 115.31 115.13 3abm h LEU 33 Ca 0.01 0.02 0.35 0.00 -0.00 0.00 0.00 57.88 58.25 3abm h LEU 33 Cb 0.17 0.04 -0.11 0.00 -0.00 0.00 0.00 40.66 40.77 3abm h LEU 33 CO -0.00 -0.02 0.75 -1.13 -0.00 0.00 0.00 178.44 178.05 3abm h ASN 34 N -0.01 0.34 0.41 -0.43 -0.73 -1.39 -0.57 115.58 113.20 3abm h ASN 34 Ca 0.01 0.11 -0.31 0.00 1.87 0.00 0.00 56.30 57.97 3abm h ASN 34 Cb 0.02 0.07 0.02 0.00 0.27 0.00 0.00 38.32 38.70 3abm h ASN 34 CO -0.04 -0.04 -1.43 0.28 -0.37 0.00 0.00 177.43 175.82 3abm h SER 35 N 0.24 0.62 -1.12 1.15 0.02 -1.16 -2.91 113.55 110.38 3abm h SER 35 Ca 0.70 -0.70 -0.70 0.00 -0.84 0.00 0.00 61.79 60.25 3abm h SER 35 Cb 2.01 -0.20 -0.13 0.00 0.14 0.00 0.00 62.40 64.22 3abm h SER 35 CO -0.35 1.56 2.08 0.79 -1.14 0.00 0.00 176.83 179.77 3abm n TRP 36 N -3.60 2.42 0.01 3.45 5.03 -0.01 -2.02 117.44 122.71 3abm n TRP 36 Ca -0.15 -2.67 0.00 0.00 3.03 0.00 0.00 57.50 57.71 3abm n TRP 36 Cb 1.07 -1.76 0.00 0.00 -1.03 0.00 0.00 31.31 29.58 3abm n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 3abm n LEU 37 N 1.60 -0.22 0.00 -0.99 7.94 -1.22 -4.85 117.00 119.26 3abm n LEU 37 Ca 0.60 0.05 0.02 0.00 -1.11 0.00 0.00 56.01 55.58 3abm n LEU 37 Cb 0.30 0.60 0.14 0.00 0.53 0.00 0.00 43.42 44.99 3abm n LEU 37 CO 0.63 -0.37 0.35 1.41 -1.11 0.00 0.00 177.39 178.30 3abm n HIS 38 N -2.39 0.00 -2.48 1.96 8.25 -1.10 -4.83 115.22 114.63 3abm n HIS 38 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 3abm n HIS 38 Cb 0.00 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.23 3abm n HIS 38 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3abm s SER 39 N -1.73 4.11 0.00 0.41 1.04 -0.86 -5.01 113.70 111.66 3abm s SER 39 Ca 0.07 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3abm s SER 39 Cb 0.03 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3abm s SER 39 CO 0.05 -2.04 0.00 0.61 0.98 0.00 0.00 173.24 172.85 3abm n GLY 40 N -3.01 -1.06 3.69 7.32 0.00 -1.26 -4.99 105.19 105.87 3abm n GLY 40 Ca 0.15 -1.36 -0.50 0.00 0.00 0.00 0.00 46.02 44.32 3abm n GLY 40 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3abm n HIS 41 N 0.01 2.30 -3.00 1.61 8.25 -1.26 -5.00 115.22 118.12 3abm n HIS 41 Ca 0.00 0.06 -0.32 0.00 -0.26 0.00 0.00 57.72 57.20 3abm n HIS 41 Cb 0.00 -2.64 -0.06 0.00 1.12 0.00 0.00 29.99 28.41 3abm n HIS 41 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3abm s ARG 42 N 4.00 4.04 -0.20 -0.41 0.52 -1.26 -5.03 118.95 120.61 3abm s ARG 42 Ca 0.93 0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 56.64 3abm s ARG 42 Cb -0.74 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 3abm s ARG 42 CO 0.53 0.07 1.49 -2.00 0.02 0.00 0.00 175.30 175.42 3abm s GLU 43 N -3.15 3.96 0.21 3.54 -6.30 -1.26 -4.99 118.70 110.70 3abm s GLU 43 Ca 0.56 1.65 -0.32 0.00 -2.50 0.00 0.00 54.97 54.37 3abm s GLU 43 Cb -0.10 -3.95 -0.15 0.00 0.00 0.00 0.00 34.13 29.94 3abm s GLU 43 CO 0.18 -1.09 1.28 2.89 0.02 0.00 0.00 175.26 178.54 3abm n ARG 44 N 7.32 1.59 -2.41 4.30 1.85 -1.26 -4.98 116.66 123.08 3abm n ARG 44 Ca 0.17 0.57 -0.29 0.00 -1.00 0.00 0.00 57.85 57.30 3abm n ARG 44 Cb 0.45 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.72 3abm n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3abm s PRO 45 N -0.41 3.57 0.31 2.89 0.04 -1.26 -4.99 135.00 135.15 3abm s PRO 45 Ca 0.70 0.38 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 3abm s PRO 45 Cb -0.75 -2.28 -0.13 0.00 0.04 0.00 0.00 34.50 31.37 3abm s PRO 45 CO 0.51 -0.31 1.11 0.00 0.04 0.00 0.00 177.00 178.35 3abm n ALA 46 N -2.38 0.33 -2.40 8.56 0.00 -1.26 -4.91 120.51 118.45 3abm n ALA 46 Ca 0.02 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 3abm n ALA 46 Cb 0.55 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 3abm n ALA 46 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3abm s PHE 47 N -1.08 3.51 -0.08 0.00 2.19 -1.26 -5.04 117.98 116.22 3abm s PHE 47 Ca 0.57 1.43 0.01 0.00 0.33 0.00 0.00 56.93 59.28 3abm s PHE 47 Cb -0.65 -3.34 0.02 0.00 -1.31 0.00 0.00 43.02 37.74 3abm s PHE 47 CO 0.61 -0.91 -0.08 0.42 1.83 0.00 0.00 175.22 177.08 3abm s ILE 48 N 0.78 0.95 -0.64 3.12 1.01 -1.26 -5.06 121.20 120.11 3abm s ILE 48 Ca 0.56 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 3abm s ILE 48 Cb -0.28 -0.93 -0.13 0.00 0.01 0.00 0.00 42.46 41.13 3abm s ILE 48 CO 0.30 0.33 2.63 -2.65 0.00 0.00 0.00 174.94 175.55 3abm n PRO 49 N 4.39 2.15 -1.66 2.79 -0.02 -1.26 -4.94 135.00 136.45 3abm n PRO 49 Ca -0.18 -1.28 -0.38 0.00 -2.02 0.00 0.00 63.50 59.64 3abm n PRO 49 Cb 0.51 -2.25 0.04 0.00 -0.02 0.00 0.00 33.50 31.78 3abm n PRO 49 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3abm n TYR 50 N 3.33 1.41 0.89 6.00 4.01 -1.26 -4.89 117.16 126.65 3abm n TYR 50 Ca 0.46 0.45 0.12 0.00 -0.16 0.00 0.00 57.90 58.77 3abm n TYR 50 Cb 0.41 -2.23 0.25 0.00 -0.31 0.00 0.00 39.34 37.46 3abm n TYR 50 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3abm n HIS 51 N -1.34 0.13 1.11 -0.72 8.25 -1.26 -3.17 115.22 118.22 3abm n HIS 51 Ca 0.12 0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.73 3abm n HIS 51 Cb 0.45 -0.36 0.35 0.00 1.12 0.00 0.00 29.99 31.55 3abm n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 3abm n HIS 52 N -1.65 0.25 -4.36 4.41 1.44 -1.26 -4.86 115.22 109.19 3abm n HIS 52 Ca 0.05 -0.12 -0.18 0.00 -2.01 0.00 0.00 57.72 55.46 3abm n HIS 52 Cb 0.36 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.37 3abm n HIS 52 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3abm s LEU 53 N -1.56 2.07 -1.41 2.39 1.43 -1.19 -4.79 118.68 115.62 3abm s LEU 53 Ca 0.33 -1.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 3abm s LEU 53 Cb 0.18 -0.24 0.03 0.00 0.03 0.00 0.00 46.19 46.19 3abm s LEU 53 CO 0.27 -0.58 0.69 0.54 0.23 0.00 0.00 176.35 177.49 3abm n ARG 54 N -0.50 -4.49 -2.13 1.70 3.00 -1.26 -4.87 116.66 108.11 3abm n ARG 54 Ca -0.03 0.54 -0.41 0.00 -0.01 0.00 0.00 57.85 57.94 3abm n ARG 54 Cb 0.65 -5.06 -0.02 0.00 0.00 0.00 0.00 32.46 28.03 3abm n ARG 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3abm s ILE 55 N -3.65 2.75 -0.29 0.55 -1.09 -1.26 -4.72 121.20 113.49 3abm s ILE 55 Ca 0.20 0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 59.35 3abm s ILE 55 Cb -0.10 -3.48 0.12 0.00 -1.58 0.00 0.00 42.46 37.41 3abm s ILE 55 CO 0.84 0.18 0.20 -0.13 -1.23 0.00 0.00 174.94 174.81 3abm s ARG 56 N -1.75 0.26 -0.00 2.79 1.81 -1.26 -4.92 118.95 115.87 3abm s ARG 56 Ca 0.49 -0.42 0.21 0.00 -1.72 0.00 0.00 55.73 54.28 3abm s ARG 56 Cb -0.39 -0.97 -0.24 0.00 -0.45 0.00 0.00 34.95 32.90 3abm s ARG 56 CO 0.52 -1.03 0.83 0.25 -0.68 0.00 0.00 175.30 175.19 3abm n THR 57 N 5.21 0.00 -3.64 0.02 -2.24 -1.26 -4.97 114.28 107.40 3abm n THR 57 Ca -0.03 -0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.59 3abm n THR 57 Cb 0.43 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 3abm n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3abm s LYS 58 N -3.03 0.60 0.36 -0.78 2.20 -1.26 -5.14 119.74 112.68 3abm s LYS 58 Ca 0.06 0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 56.19 3abm s LYS 58 Cb 0.15 0.25 -0.11 0.00 -1.51 0.00 0.00 37.83 36.62 3abm s LYS 58 CO 0.86 -0.09 1.43 -2.14 -0.36 0.00 0.00 175.35 175.05 3abm s PRO 59 N 0.64 4.20 0.67 4.03 0.02 -1.26 -4.96 135.00 138.34 3abm s PRO 59 Ca -0.01 2.45 -0.17 0.00 0.02 0.00 0.00 61.00 63.28 3abm s PRO 59 Cb -0.05 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3abm s PRO 59 CO -0.08 -0.42 1.21 -0.06 -0.33 0.00 0.00 177.00 177.32 3abm s PHE 60 N -1.06 2.22 -0.97 6.54 0.40 -0.17 -4.89 117.98 120.06 3abm s PHE 60 Ca 0.52 1.55 0.03 0.00 -0.60 0.00 0.00 56.93 58.43 3abm s PHE 60 Cb -0.44 -3.47 0.15 0.00 0.51 0.00 0.00 43.02 39.77 3abm s PHE 60 CO 0.59 -2.42 0.77 0.43 0.70 0.00 0.00 175.22 175.29 3abm n SER 61 N -2.22 1.79 -3.60 1.36 7.64 -1.26 -4.01 113.62 113.32 3abm n SER 61 Ca 0.13 -2.16 -0.17 0.00 1.01 0.00 0.00 58.87 57.69 3abm n SER 61 Cb 0.50 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3abm n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 3abm s TRP 62 N -1.38 1.51 0.00 1.43 -2.14 -1.26 -5.04 118.94 112.06 3abm s TRP 62 Ca 0.10 -1.54 0.00 0.00 2.66 0.00 0.00 56.10 57.32 3abm s TRP 62 Cb 0.08 -0.61 0.00 0.00 -3.10 0.00 0.00 33.47 29.84 3abm s TRP 62 CO 0.03 -0.83 0.00 0.41 -2.66 0.00 0.00 176.95 173.90 3abm n GLY 63 N -0.51 2.14 0.72 3.67 0.00 -1.26 -1.26 105.19 108.69 3abm n GLY 63 Ca 0.05 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.76 3abm n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3abm n ASP 64 N -0.59 2.08 0.00 1.61 5.68 -1.26 -4.90 116.55 119.17 3abm n ASP 64 Ca 0.00 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.26 3abm n ASP 64 Cb 0.00 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 3abm n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3abm n GLY 65 N 1.05 1.47 0.00 6.12 0.00 -0.39 -4.82 105.19 108.62 3abm n GLY 65 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3abm n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3abm n ASN 66 N 0.00 0.73 -4.57 1.61 5.15 -1.26 -1.00 115.26 115.93 3abm n ASN 66 Ca 0.00 -0.99 -0.34 0.00 -0.60 0.00 0.00 54.58 52.65 3abm n ASN 66 Cb 0.00 0.01 -0.11 0.00 -0.53 0.00 0.00 39.78 39.15 3abm n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3abm s HIS 67 N -0.01 3.05 0.88 1.20 3.76 -1.26 -4.88 115.29 118.03 3abm s HIS 67 Ca 0.00 -0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.69 3abm s HIS 67 Cb 0.00 -1.88 0.12 0.00 1.11 0.00 0.00 32.58 31.93 3abm s HIS 67 CO 0.00 0.16 1.10 0.95 -0.85 0.00 0.00 174.74 176.10 3abm s THR 68 N -0.15 2.64 0.20 1.30 -4.23 -1.26 -4.92 115.64 109.22 3abm s THR 68 Ca 0.03 0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.66 3abm s THR 68 Cb -0.13 -2.82 0.14 0.00 1.34 0.00 0.00 72.50 71.02 3abm s THR 68 CO 0.02 -0.27 1.77 0.15 -0.54 0.00 0.00 174.62 175.76 3abm h PHE 69 N -1.42 1.11 -1.38 3.99 3.04 -2.01 -2.42 116.94 117.85 3abm h PHE 69 Ca -0.49 -0.07 -0.62 0.00 3.98 0.00 0.00 57.97 60.76 3abm h PHE 69 Cb 1.29 -0.34 -0.38 0.00 2.56 0.00 0.00 35.95 39.08 3abm h PHE 69 CO 0.40 0.84 -0.29 1.19 -2.02 0.00 0.00 178.31 178.43 3abm n PHE 70 N -4.35 3.17 -1.68 0.41 3.01 -1.26 -5.05 117.46 111.70 3abm n PHE 70 Ca 0.06 -2.76 -0.52 0.00 1.01 0.00 0.00 57.45 55.25 3abm n PHE 70 Cb 0.16 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.12 3abm n PHE 70 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3abm n HIS 71 N -0.58 2.14 -3.92 1.38 -0.00 -0.91 -4.98 115.22 108.35 3abm n HIS 71 Ca 0.45 0.28 -0.34 0.00 0.46 0.00 0.00 57.72 58.57 3abm n HIS 71 Cb 0.66 -2.54 -0.14 0.00 -0.12 0.00 0.00 29.99 27.85 3abm n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 3abm s ASN 72 N 3.18 4.88 0.53 0.26 3.84 -1.26 -4.99 114.94 121.36 3abm s ASN 72 Ca 0.92 -1.44 0.24 0.00 0.21 0.00 0.00 52.86 52.80 3abm s ASN 72 Cb -0.85 -1.70 1.38 0.00 -0.55 0.00 0.00 41.25 39.52 3abm s ASN 72 CO 0.55 -0.29 2.01 -0.65 -2.79 0.00 0.00 177.10 175.92 3abm h PRO 73 N 7.95 0.01 -0.62 0.43 0.11 -1.94 0.87 132.00 138.81 3abm h PRO 73 Ca -0.19 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.88 3abm h PRO 73 Cb 1.05 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 3abm h PRO 73 CO 0.54 0.00 0.20 -0.09 -0.21 0.00 0.00 178.00 178.45 3abm h ARG 74 N 0.01 0.93 0.00 1.05 1.12 -1.96 -3.37 114.38 112.15 3abm h ARG 74 Ca 0.23 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 3abm h ARG 74 Cb 0.91 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.72 3abm h ARG 74 CO -0.00 0.79 -0.06 1.33 -3.11 0.00 0.00 179.97 178.91 3abm n VAL 75 N -4.29 0.00 -3.62 0.20 0.24 -0.56 -4.91 118.33 105.39 3abm n VAL 75 Ca 0.05 -0.26 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 3abm n VAL 75 Cb 0.20 0.92 -0.10 0.00 -1.47 0.00 0.00 33.84 33.39 3abm n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3abm s ASN 76 N -0.66 5.58 0.71 -1.34 0.01 0.19 -5.03 114.94 114.41 3abm s ASN 76 Ca 0.00 -1.72 -0.11 0.00 -0.71 0.00 0.00 52.86 50.33 3abm s ASN 76 Cb 0.00 -1.96 0.02 0.00 0.41 0.00 0.00 41.25 39.72 3abm s ASN 76 CO 0.00 -0.58 1.07 -2.16 -1.51 0.00 0.00 177.10 173.92 3abm s PRO 77 N 1.35 2.76 0.69 -0.60 0.04 -1.26 -4.69 135.00 133.29 3abm s PRO 77 Ca 0.04 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 3abm s PRO 77 Cb -0.24 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.41 3abm s PRO 77 CO 0.00 -1.24 0.97 -0.51 0.04 0.00 0.00 177.00 176.26 3abm s LEU 78 N -5.61 2.97 0.57 -3.56 1.43 -0.14 -4.87 118.68 109.47 3abm s LEU 78 Ca 0.59 0.12 0.29 0.00 -1.03 0.00 0.00 54.13 54.10 3abm s LEU 78 Cb -0.15 -2.72 1.46 0.00 0.03 0.00 0.00 46.19 44.81 3abm s LEU 78 CO 0.55 -1.62 1.89 -0.65 0.23 0.00 0.00 176.35 176.74 3abm h PRO 79 N -0.48 0.00 -0.40 1.29 0.11 -1.90 0.75 132.00 131.38 3abm h PRO 79 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3abm h PRO 79 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3abm h PRO 79 CO 0.52 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.56 3abm n THR 80 N -3.90 0.60 0.00 -1.15 -2.24 -1.26 -4.86 114.28 101.46 3abm n THR 80 Ca 0.12 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3abm n THR 80 Cb 0.77 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 3abm n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3abm n GLY 81 N 1.32 0.82 3.77 3.38 0.00 0.26 -5.05 105.19 109.69 3abm n GLY 81 Ca 0.18 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 3abm n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3abm s TYR 82 N -0.90 2.72 0.45 1.61 2.02 -1.26 -0.96 117.35 121.03 3abm s TYR 82 Ca 0.00 1.54 -0.20 0.00 -0.37 0.00 0.00 57.07 58.04 3abm s TYR 82 Cb 0.00 -3.31 -0.10 0.00 -0.40 0.00 0.00 41.96 38.15 3abm s TYR 82 CO 0.00 -1.55 0.97 -1.21 -1.57 0.00 0.00 175.55 172.19 3abm s GLU 83 N -3.14 4.12 0.00 -0.62 2.02 -1.26 -4.89 118.70 114.93 3abm s GLU 83 Ca 0.70 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.81 3abm s GLU 83 Cb -0.25 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.82 3abm s GLU 83 CO 0.29 -0.13 0.00 1.63 0.02 0.00 0.00 175.26 177.07