#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ein n SER 2 N 0.00 0.33 0.00 0.00 2.88 -1.26 -5.11 113.62 110.46 2ein n SER 2 Ca 0.00 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.80 2ein n SER 2 Cb 0.00 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2ein n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ein n ALA 3 N -0.18 0.00 0.00 -1.46 0.00 -1.26 -4.44 120.51 113.18 2ein n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ein n ALA 3 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2ein n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ein n ALA 4 N 2.65 0.00 -2.93 0.00 0.00 -1.26 -5.14 120.51 113.84 2ein n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ein n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2ein n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2ein n LYS 5 N 0.00 0.00 0.05 0.00 5.02 -1.26 -5.16 118.16 116.81 2ein n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ein n LYS 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2ein n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ein n GLY 6 N 5.00 -1.30 0.00 0.72 0.00 -1.26 -5.13 105.19 103.22 2ein n GLY 6 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2ein n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ein n ASP 7 N -2.95 0.00 0.00 1.61 -0.08 -1.26 -4.73 116.55 109.14 2ein n ASP 7 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2ein n ASP 7 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2ein n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2ein n HIS 8 N 0.00 0.00 -0.11 -0.67 8.25 -1.26 -4.56 115.22 116.88 2ein n HIS 8 Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.64 2ein n HIS 8 Cb 0.00 -0.34 0.59 0.00 1.12 0.00 0.00 29.99 31.36 2ein n HIS 8 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2ein h GLY 9 N 0.00 0.40 0.00 -1.41 0.00 -2.08 -3.51 103.07 96.48 2ein h GLY 9 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2ein h GLY 9 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.18 2ein n GLY 10 N -1.58 1.81 0.00 4.60 0.00 -1.26 -5.32 105.19 103.44 2ein n GLY 10 Ca 0.13 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2ein n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ein n GLY 12 N 0.00 0.88 0.30 -0.02 0.00 -1.26 -4.92 105.19 100.17 2ein n GLY 12 Ca 0.00 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.19 2ein n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ein h ALA 13 N 0.00 1.25 -0.59 4.61 0.00 -2.06 -1.77 119.26 120.70 2ein h ALA 13 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2ein h ALA 13 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2ein h ALA 13 CO 0.00 -0.27 0.37 -0.09 0.00 0.00 0.00 179.25 179.26 2ein h ARG 14 N 0.42 0.72 0.09 0.00 2.43 -1.99 -1.79 114.38 114.25 2ein h ARG 14 Ca 0.49 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.63 2ein h ARG 14 Cb 0.85 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 2ein h ARG 14 CO -0.48 0.48 -0.22 1.15 -1.51 0.00 0.00 179.97 179.40 2ein h THR 15 N 0.74 0.51 0.00 0.20 2.02 -1.68 -1.33 112.91 113.38 2ein h THR 15 Ca 0.23 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 2ein h THR 15 Cb -0.01 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2ein h THR 15 CO -0.08 0.00 -0.04 -0.50 0.37 0.00 0.00 175.52 175.27 2ein h TRP 16 N -0.39 0.00 0.14 3.16 4.06 -1.22 -0.74 115.95 120.95 2ein h TRP 16 Ca 0.03 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.71 2ein h TRP 16 Cb 0.42 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 28.61 2ein h TRP 16 CO -0.21 0.04 -1.15 -0.09 -3.56 0.00 0.00 178.44 173.47 2ein h ARG 17 N 0.00 0.54 -0.44 0.49 2.43 -0.87 -2.10 114.38 114.43 2ein h ARG 17 Ca -0.00 -0.76 0.06 0.00 -0.81 0.00 0.00 59.98 58.47 2ein h ARG 17 Cb 0.20 0.26 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 2ein h ARG 17 CO 0.00 1.34 0.15 0.35 -1.51 0.00 0.00 179.97 180.31 2ein h PHE 18 N 0.10 0.27 -0.67 2.20 -0.00 -0.19 -0.68 116.94 117.97 2ein h PHE 18 Ca -0.18 0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 57.76 2ein h PHE 18 Cb 1.85 -0.05 -0.03 0.00 -0.00 0.00 0.00 35.95 37.72 2ein h PHE 18 CO 0.14 0.10 0.20 -0.07 -0.00 0.00 0.00 178.31 178.68 2ein h LEU 19 N 0.32 0.96 -0.15 0.59 3.38 -1.15 0.20 115.31 119.46 2ein h LEU 19 Ca 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ein h LEU 19 Cb 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2ein h LEU 19 CO -0.21 0.90 0.09 0.74 0.09 0.00 0.00 178.44 180.05 2ein h THR 20 N 1.00 1.03 0.00 0.22 2.02 -0.57 -0.64 112.91 115.97 2ein h THR 20 Ca 0.22 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.33 2ein h THR 20 Cb 0.29 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2ein h THR 20 CO -0.01 0.04 -0.84 -0.26 0.37 0.00 0.00 175.52 174.82 2ein h PHE 21 N 0.20 0.00 -0.28 3.16 0.05 -1.01 0.65 116.94 119.71 2ein h PHE 21 Ca 0.06 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.85 2ein h PHE 21 Cb -0.02 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.93 2ein h PHE 21 CO -0.07 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.47 2ein n GLY 22 N 1.21 2.39 2.02 -1.45 0.00 0.68 -4.49 105.19 105.56 2ein n GLY 22 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2ein n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ein n LEU 23 N 0.43 -0.31 -0.00 0.99 7.94 -0.68 -4.87 117.00 120.50 2ein n LEU 23 Ca 0.10 0.10 -0.09 0.00 -1.11 0.00 0.00 56.01 55.01 2ein n LEU 23 Cb 0.39 0.51 -0.06 0.00 0.53 0.00 0.00 43.42 44.79 2ein n LEU 23 CO 0.07 -0.47 0.50 0.00 -1.11 0.00 0.00 177.39 176.39 2ein h ALA 24 N 0.00 -0.70 -0.86 1.96 0.00 -1.20 0.23 119.26 118.69 2ein h ALA 24 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2ein h ALA 24 Cb 0.00 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 2ein h ALA 24 CO 0.00 -0.81 0.49 -0.07 0.00 0.00 0.00 179.25 178.85 2ein h LEU 25 N -0.34 1.06 -1.05 0.00 3.38 -1.09 -1.86 115.31 115.42 2ein h LEU 25 Ca 0.02 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2ein h LEU 25 Cb 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2ein h LEU 25 CO -0.25 0.84 0.28 -0.65 0.09 0.00 0.00 178.44 178.76 2ein h PRO 26 N 1.19 0.96 -0.39 1.13 0.11 -1.67 -0.66 132.00 132.68 2ein h PRO 26 Ca 0.30 -0.15 0.08 0.00 0.11 0.00 0.00 66.00 66.34 2ein h PRO 26 Cb 0.00 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 30.88 2ein h PRO 26 CO -0.05 0.77 -0.05 0.77 -0.21 0.00 0.00 178.00 179.23 2ein h SER 27 N 0.95 -0.26 0.61 -2.05 0.02 0.22 0.36 113.55 113.40 2ein h SER 27 Ca 0.23 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.27 2ein h SER 27 Cb 0.16 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2ein h SER 27 CO -0.02 -0.09 -0.07 0.58 -1.14 0.00 0.00 176.83 176.09 2ein h VAL 28 N 0.05 0.26 -0.01 2.27 2.07 -0.97 -1.16 116.25 118.75 2ein h VAL 28 Ca 0.19 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2ein h VAL 28 Cb 0.28 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2ein h VAL 28 CO -0.36 0.07 -0.07 0.00 0.02 0.00 0.00 177.57 177.23 2ein h ALA 29 N 1.93 0.03 0.14 1.67 0.00 0.12 -2.43 119.26 120.72 2ein h ALA 29 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ein h ALA 29 Cb 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ein h ALA 29 CO 0.01 -0.09 -0.09 -0.07 0.00 0.00 0.00 179.25 179.01 2ein h LEU 30 N -0.56 -0.23 -2.40 0.00 3.38 -0.91 -0.16 115.31 114.44 2ein h LEU 30 Ca -0.00 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ein h LEU 30 Cb 0.73 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ein h LEU 30 CO 0.01 -0.15 0.04 0.00 0.09 0.00 0.00 178.44 178.43 2ein h THR 32 N 0.00 1.34 0.98 0.00 2.02 -0.91 -1.53 112.91 114.82 2ein h THR 32 Ca 0.02 -2.80 -0.05 0.00 0.77 0.00 0.00 66.41 64.35 2ein h THR 32 Cb 0.09 3.01 0.01 0.00 -1.74 0.00 0.00 68.15 69.52 2ein h THR 32 CO -0.00 0.83 -0.47 0.25 0.37 0.00 0.00 175.52 176.50 2ein h LEU 33 N 0.13 -1.11 -0.39 2.58 7.12 0.66 0.13 115.31 124.43 2ein h LEU 33 Ca -0.22 0.04 0.08 0.00 0.13 0.00 0.00 57.88 57.91 2ein h LEU 33 Cb 2.12 0.29 -0.08 0.00 -0.53 0.00 0.00 40.66 42.45 2ein h LEU 33 CO 0.26 -0.78 -0.15 -1.13 -0.13 0.00 0.00 178.44 176.51 2ein h ASN 34 N -1.35 -0.51 -0.18 1.25 -0.73 -0.51 -2.05 115.58 111.50 2ein h ASN 34 Ca -0.13 0.13 0.03 0.00 1.87 0.00 0.00 56.30 58.20 2ein h ASN 34 Cb 1.01 0.30 -0.03 0.00 0.27 0.00 0.00 38.32 39.87 2ein h ASN 34 CO 0.22 -0.18 -0.02 0.28 -0.37 0.00 0.00 177.43 177.36 2ein h SER 35 N -0.07 -0.12 -0.65 1.15 0.02 -1.20 -2.04 113.55 110.65 2ein h SER 35 Ca 0.19 0.05 -0.38 0.00 -0.84 0.00 0.00 61.79 60.80 2ein h SER 35 Cb 0.36 0.09 -0.13 0.00 0.14 0.00 0.00 62.40 62.86 2ein h SER 35 CO -0.44 -0.04 0.14 0.79 -1.14 0.00 0.00 176.83 176.15 2ein n TRP 36 N -5.16 1.00 0.18 3.45 5.03 0.02 -2.88 117.44 119.08 2ein n TRP 36 Ca -0.03 -1.79 0.00 0.00 3.03 0.00 0.00 57.50 58.71 2ein n TRP 36 Cb 0.11 -1.48 0.00 0.00 -1.03 0.00 0.00 31.31 28.91 2ein n TRP 36 CO 0.00 0.00 0.00 -0.11 -0.03 0.00 0.00 177.69 177.55 2ein n LEU 37 N 1.53 -1.89 0.00 -0.99 7.94 -1.00 -4.86 117.00 117.73 2ein n LEU 37 Ca 0.47 0.64 0.06 0.00 -1.11 0.00 0.00 56.01 56.07 2ein n LEU 37 Cb 0.69 1.89 0.35 0.00 0.53 0.00 0.00 43.42 46.88 2ein n LEU 37 CO 0.26 -0.31 0.61 1.41 -1.11 0.00 0.00 177.39 178.25 2ein n HIS 38 N -3.40 0.00 0.00 1.96 8.25 -0.80 -4.61 115.22 116.62 2ein n HIS 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ein n HIS 38 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2ein n HIS 38 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ein n SER 39 N -0.77 0.00 -1.41 0.41 3.41 -1.14 -5.03 113.62 109.09 2ein n SER 39 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2ein n SER 39 Cb 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2ein n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ein n GLY 40 N 0.36 -4.64 3.55 5.00 0.00 -1.26 -4.77 105.19 103.43 2ein n GLY 40 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2ein n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ein s HIS 41 N -1.71 1.15 0.11 1.61 3.76 -1.26 -4.94 115.29 114.01 2ein s HIS 41 Ca 0.00 1.46 -0.31 0.00 -0.15 0.00 0.00 55.06 56.06 2ein s HIS 41 Cb 0.00 -3.65 -0.08 0.00 1.11 0.00 0.00 32.58 29.96 2ein s HIS 41 CO 0.00 -2.51 1.43 1.03 -0.85 0.00 0.00 174.74 173.84 2ein s ARG 42 N 8.09 4.29 -0.43 1.40 0.52 -1.26 -4.87 118.95 126.69 2ein s ARG 42 Ca 0.93 2.13 -0.40 0.00 -0.52 0.00 0.00 55.73 57.87 2ein s ARG 42 Cb -0.16 -3.27 -0.16 0.00 0.52 0.00 0.00 34.95 31.88 2ein s ARG 42 CO 0.25 -0.49 2.13 0.39 0.02 0.00 0.00 175.30 177.60 2ein n GLU 43 N 4.12 0.47 -1.68 3.54 -0.58 -1.26 -4.84 120.64 120.42 2ein n GLU 43 Ca 0.12 0.13 -0.45 0.00 -0.42 0.00 0.00 57.16 56.54 2ein n GLU 43 Cb 0.42 -1.91 -0.04 0.00 -0.57 0.00 0.00 31.44 29.34 2ein n GLU 43 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2ein n ARG 44 N 7.60 2.43 -0.81 3.49 1.85 -1.26 -4.95 116.66 125.00 2ein n ARG 44 Ca 0.48 0.89 -0.30 0.00 -1.00 0.00 0.00 57.85 57.91 2ein n ARG 44 Cb 0.07 -2.74 0.17 0.00 -1.05 0.00 0.00 32.46 28.91 2ein n ARG 44 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2ein s PRO 45 N 3.12 0.80 0.22 2.89 0.04 -1.26 -4.97 135.00 135.84 2ein s PRO 45 Ca 0.87 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 2ein s PRO 45 Cb -0.60 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.11 2ein s PRO 45 CO 0.44 -2.68 1.53 0.00 0.04 0.00 0.00 177.00 176.32 2ein s ALA 46 N -2.68 3.72 0.28 8.56 0.00 -1.26 -4.98 121.76 125.40 2ein s ALA 46 Ca 0.66 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.72 2ein s ALA 46 Cb -0.22 -3.60 -0.10 0.00 0.00 0.00 0.00 23.12 19.20 2ein s ALA 46 CO 0.59 -0.80 1.19 0.12 0.00 0.00 0.00 175.76 176.86 2ein s PHE 47 N 0.51 3.37 -0.09 0.00 2.19 -1.26 -5.04 117.98 117.66 2ein s PHE 47 Ca 0.65 1.55 -0.03 0.00 0.33 0.00 0.00 56.93 59.43 2ein s PHE 47 Cb -0.44 -3.45 0.04 0.00 -1.31 0.00 0.00 43.02 37.87 2ein s PHE 47 CO 0.39 -1.13 0.11 0.42 1.83 0.00 0.00 175.22 176.84 2ein s ILE 48 N -0.96 -0.17 0.00 3.12 1.01 -1.26 -5.04 121.20 117.90 2ein s ILE 48 Ca 0.48 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2ein s ILE 48 Cb -0.35 -0.30 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2ein s ILE 48 CO 0.44 0.07 0.66 -2.65 0.00 0.00 0.00 174.94 173.46 2ein n PRO 49 N 5.31 0.00 -1.81 2.79 -0.02 -1.26 -4.88 135.00 135.12 2ein n PRO 49 Ca -0.04 -0.17 -0.41 0.00 -2.02 0.00 0.00 63.50 60.85 2ein n PRO 49 Cb 0.50 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.32 2ein n PRO 49 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2ein s TYR 50 N 3.61 2.75 -0.79 6.00 2.02 -1.26 -4.92 117.35 124.76 2ein s TYR 50 Ca 0.00 0.90 0.26 0.00 -0.37 0.00 0.00 57.07 57.86 2ein s TYR 50 Cb 0.00 -4.03 0.93 0.00 -0.40 0.00 0.00 41.96 38.46 2ein s TYR 50 CO 0.00 -3.35 1.80 0.72 -1.57 0.00 0.00 175.55 173.15 2ein n HIS 51 N 1.79 0.64 1.15 2.71 8.25 -1.26 -3.67 115.22 124.84 2ein n HIS 51 Ca 0.06 0.20 0.13 0.00 -0.26 0.00 0.00 57.72 57.84 2ein n HIS 51 Cb 0.38 -0.82 0.23 0.00 1.12 0.00 0.00 29.99 30.90 2ein n HIS 51 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ein n HIS 52 N -2.03 0.00 -4.41 4.41 1.44 -1.26 -4.91 115.22 108.46 2ein n HIS 52 Ca 0.05 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.59 2ein n HIS 52 Cb 0.37 -0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.45 2ein n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2ein n LEU 53 N 0.95 0.00 -3.78 2.39 4.77 -1.24 -4.79 117.00 115.30 2ein n LEU 53 Ca 0.15 -1.75 -0.31 0.00 -0.03 0.00 0.00 56.01 54.07 2ein n LEU 53 Cb 0.52 0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2ein n LEU 53 CO 0.16 -0.25 -0.12 0.54 -1.33 0.00 0.00 177.39 176.39 2ein n ARG 54 N -0.68 -0.99 -1.63 3.23 3.00 -1.26 -4.85 116.66 113.47 2ein n ARG 54 Ca -0.11 0.10 -0.38 0.00 -0.01 0.00 0.00 57.85 57.45 2ein n ARG 54 Cb 0.35 -3.86 0.05 0.00 0.00 0.00 0.00 32.46 29.01 2ein n ARG 54 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2ein n ILE 55 N -3.26 3.73 -3.04 0.55 2.08 -1.26 -4.63 119.36 113.52 2ein n ILE 55 Ca 0.09 -0.50 -0.13 0.00 0.56 0.00 0.00 62.75 62.77 2ein n ILE 55 Cb 0.37 -1.21 -0.04 0.00 -0.75 0.00 0.00 39.64 38.02 2ein n ILE 55 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 2ein s ARG 56 N -2.77 0.98 0.12 0.38 1.81 -1.26 -4.99 118.95 113.22 2ein s ARG 56 Ca 0.75 -1.41 0.24 0.00 -1.72 0.00 0.00 55.73 53.59 2ein s ARG 56 Cb -0.42 -0.58 0.37 0.00 -0.45 0.00 0.00 34.95 33.87 2ein s ARG 56 CO 0.47 -1.34 1.35 0.25 -0.68 0.00 0.00 175.30 175.35 2ein n THR 57 N 3.03 0.36 -3.63 0.02 -2.24 -1.26 -4.89 114.28 105.67 2ein n THR 57 Ca 0.22 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 2ein n THR 57 Cb 0.52 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 2ein n THR 57 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ein s LYS 58 N -3.16 0.75 0.36 -0.78 2.20 -1.26 -5.14 119.74 112.71 2ein s LYS 58 Ca 0.07 0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 56.23 2ein s LYS 58 Cb 0.13 0.37 -0.11 0.00 -1.51 0.00 0.00 37.83 36.71 2ein s LYS 58 CO 0.71 -0.10 1.42 -1.25 -0.36 0.00 0.00 175.35 175.77 2ein s PRO 59 N 0.24 4.20 0.44 4.03 0.04 -1.26 -4.94 135.00 137.75 2ein s PRO 59 Ca 0.00 2.44 -0.26 0.00 0.04 0.00 0.00 61.00 63.22 2ein s PRO 59 Cb -0.05 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.40 2ein s PRO 59 CO -0.01 -0.40 1.42 -0.06 0.04 0.00 0.00 177.00 177.99 2ein s PHE 60 N -1.12 2.52 -1.18 0.56 2.99 -0.71 -4.86 117.98 116.18 2ein s PHE 60 Ca 0.51 1.27 0.00 0.00 0.00 0.00 0.00 56.93 58.72 2ein s PHE 60 Cb -0.44 -3.90 0.00 0.00 0.00 0.00 0.00 43.02 38.68 2ein s PHE 60 CO 0.59 -2.83 0.35 0.43 -0.00 0.00 0.00 175.22 173.76 2ein n SER 61 N -0.10 0.48 -4.12 1.36 7.64 -1.26 -4.02 113.62 113.61 2ein n SER 61 Ca 0.05 -1.18 -0.10 0.00 1.01 0.00 0.00 58.87 58.64 2ein n SER 61 Cb 0.42 -0.24 -0.09 0.00 -1.01 0.00 0.00 64.21 63.28 2ein n SER 61 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2ein s TRP 62 N -1.18 0.82 0.00 1.43 -2.14 -1.26 -5.04 118.94 111.56 2ein s TRP 62 Ca 0.00 -1.16 0.00 0.00 2.66 0.00 0.00 56.10 57.60 2ein s TRP 62 Cb 0.00 -0.40 0.00 0.00 -3.10 0.00 0.00 33.47 29.97 2ein s TRP 62 CO 0.00 -0.60 0.00 0.41 -2.66 0.00 0.00 176.95 174.10 2ein n GLY 63 N -0.16 2.94 1.63 3.67 0.00 -1.26 -1.71 105.19 110.29 2ein n GLY 63 Ca -0.04 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.86 2ein n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ein n ASP 64 N 2.16 4.84 0.00 1.61 5.75 -1.26 -4.92 116.55 124.73 2ein n ASP 64 Ca 0.00 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.09 2ein n ASP 64 Cb 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 2ein n ASP 64 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ein n GLY 65 N 0.67 0.27 0.00 6.12 0.00 -0.69 -4.81 105.19 106.74 2ein n GLY 65 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2ein n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ein n ASN 66 N -0.42 0.46 -4.61 1.61 5.15 -1.26 -1.73 115.26 114.46 2ein n ASN 66 Ca 0.00 -0.73 -0.34 0.00 -0.60 0.00 0.00 54.58 52.90 2ein n ASN 66 Cb 0.21 0.44 -0.10 0.00 -0.53 0.00 0.00 39.78 39.80 2ein n ASN 66 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2ein s HIS 67 N -0.44 3.15 0.92 1.20 3.76 -1.26 -4.83 115.29 117.79 2ein s HIS 67 Ca 0.00 -0.01 -0.11 0.00 -0.15 0.00 0.00 55.06 54.80 2ein s HIS 67 Cb 0.00 -1.94 0.15 0.00 1.11 0.00 0.00 32.58 31.90 2ein s HIS 67 CO 0.00 0.20 1.11 0.95 -0.85 0.00 0.00 174.74 176.15 2ein s THR 68 N -0.07 2.42 0.14 1.30 -4.23 -1.26 -4.92 115.64 109.03 2ein s THR 68 Ca 0.04 0.14 -0.23 0.00 -1.18 0.00 0.00 61.69 60.46 2ein s THR 68 Cb -0.13 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2ein s THR 68 CO 0.02 -0.18 1.64 0.15 -0.54 0.00 0.00 174.62 175.71 2ein h PHE 69 N -1.78 -0.57 -1.90 3.99 3.04 -2.00 -2.56 116.94 115.16 2ein h PHE 69 Ca -0.47 0.03 -0.75 0.00 3.98 0.00 0.00 57.97 60.77 2ein h PHE 69 Cb 1.27 0.28 -0.29 0.00 2.56 0.00 0.00 35.95 39.77 2ein h PHE 69 CO 0.47 -0.30 0.85 1.19 -2.02 0.00 0.00 178.31 178.51 2ein n PHE 70 N -5.35 3.04 -1.89 0.41 3.01 -1.26 -5.02 117.46 110.40 2ein n PHE 70 Ca -0.02 -2.44 -0.42 0.00 1.01 0.00 0.00 57.45 55.58 2ein n PHE 70 Cb 0.27 -1.08 -0.03 0.00 -0.01 0.00 0.00 39.48 38.63 2ein n PHE 70 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2ein s HIS 71 N -4.01 2.57 -0.30 1.38 2.46 -0.97 -4.99 115.29 111.43 2ein s HIS 71 Ca 0.52 0.35 -0.00 0.00 0.47 0.00 0.00 55.06 56.39 2ein s HIS 71 Cb 0.44 -4.00 0.06 0.00 -0.13 0.00 0.00 32.58 28.95 2ein s HIS 71 CO -0.37 -3.93 -0.01 1.21 -2.47 0.00 0.00 174.74 169.16 2ein s ASN 72 N 2.07 4.80 0.25 9.88 3.84 -1.26 -5.01 114.94 129.50 2ein s ASN 72 Ca 0.74 -1.39 -0.02 0.00 0.21 0.00 0.00 52.86 52.40 2ein s ASN 72 Cb -0.42 -1.67 0.49 0.00 -0.55 0.00 0.00 41.25 39.09 2ein s ASN 72 CO 0.33 -0.26 1.76 -0.65 -2.79 0.00 0.00 177.10 175.48 2ein h PRO 73 N 7.93 0.58 -0.32 0.43 0.11 -1.94 0.87 132.00 139.65 2ein h PRO 73 Ca -0.19 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.92 2ein h PRO 73 Cb 1.05 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2ein h PRO 73 CO 0.52 0.38 0.22 -0.09 -0.21 0.00 0.00 178.00 178.82 2ein h ARG 74 N 0.60 0.24 0.00 1.05 1.12 -1.96 -3.33 114.38 112.10 2ein h ARG 74 Ca 0.44 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.29 2ein h ARG 74 Cb 0.60 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 2ein h ARG 74 CO -0.35 0.16 -0.02 1.33 -3.11 0.00 0.00 179.97 177.98 2ein n VAL 75 N -4.48 0.00 -3.57 0.20 0.24 -0.70 -4.89 118.33 105.12 2ein n VAL 75 Ca 0.03 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.67 2ein n VAL 75 Cb 0.21 0.97 -0.09 0.00 -1.47 0.00 0.00 33.84 33.46 2ein n VAL 75 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2ein s ASN 76 N -0.55 5.67 0.60 -1.34 0.02 0.29 -5.01 114.94 114.62 2ein s ASN 76 Ca 0.00 -1.76 -0.14 0.00 -1.02 0.00 0.00 52.86 49.94 2ein s ASN 76 Cb 0.00 -2.00 -0.04 0.00 0.02 0.00 0.00 41.25 39.23 2ein s ASN 76 CO 0.00 -0.63 1.04 -2.16 0.02 0.00 0.00 177.10 175.36 2ein s PRO 77 N 1.38 3.42 0.62 -0.60 0.04 -1.26 -4.63 135.00 133.97 2ein s PRO 77 Ca 0.05 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 2ein s PRO 77 Cb -0.25 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2ein s PRO 77 CO 0.00 -0.71 0.90 -0.51 0.04 0.00 0.00 177.00 176.72 2ein s LEU 78 N -4.70 3.10 0.63 -3.56 1.43 -0.90 -4.85 118.68 109.82 2ein s LEU 78 Ca 0.60 0.42 0.25 0.00 -1.03 0.00 0.00 54.13 54.37 2ein s LEU 78 Cb -0.13 -3.19 1.23 0.00 0.03 0.00 0.00 46.19 44.12 2ein s LEU 78 CO 0.41 -1.27 1.68 -0.65 0.23 0.00 0.00 176.35 176.75 2ein h PRO 79 N -0.25 0.00 -0.52 1.29 0.11 -1.88 0.44 132.00 131.18 2ein h PRO 79 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2ein h PRO 79 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2ein h PRO 79 CO 0.58 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.62 2ein n THR 80 N -3.22 1.92 0.00 -1.15 -2.24 -1.26 -4.89 114.28 103.44 2ein n THR 80 Ca 0.07 -1.33 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 2ein n THR 80 Cb 0.78 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2ein n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ein n GLY 81 N 0.67 0.99 3.55 3.38 0.00 0.15 -5.04 105.19 108.89 2ein n GLY 81 Ca 0.23 -2.06 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 2ein n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ein n TYR 82 N 1.09 0.13 -2.23 1.61 4.01 -1.26 -2.13 117.16 118.38 2ein n TYR 82 Ca 0.00 0.42 -0.27 0.00 -0.16 0.00 0.00 57.90 57.90 2ein n TYR 82 Cb 0.00 -2.05 0.05 0.00 -0.31 0.00 0.00 39.34 37.04 2ein n TYR 82 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2ein s GLU 83 N -2.59 2.49 0.00 -0.72 2.02 -1.26 -4.88 118.70 113.76 2ein s GLU 83 Ca 0.73 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.62 2ein s GLU 83 Cb -0.41 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.63 2ein s GLU 83 CO 0.50 -1.05 0.47 1.63 0.02 0.00 0.00 175.26 176.83