#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d87 s SER 2 N 0.00 6.08 -0.30 1.61 0.15 -1.26 -4.93 113.70 115.06 2d87 s SER 2 Ca 0.00 0.81 -0.28 0.00 0.70 0.00 0.00 55.95 57.18 2d87 s SER 2 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2d87 s SER 2 CO 0.00 -1.64 2.20 -0.44 1.20 0.00 0.00 173.24 174.56 2d87 s SER 3 N 4.97 5.29 0.00 5.45 0.01 -1.26 -4.95 113.70 123.21 2d87 s SER 3 Ca 0.65 1.62 0.00 0.00 1.31 0.00 0.00 55.95 59.54 2d87 s SER 3 Cb -0.15 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2d87 s SER 3 CO 0.30 -2.13 0.00 0.61 0.41 0.00 0.00 173.24 172.43 2d87 n GLY 4 N 5.78 2.02 3.53 3.44 0.00 -1.26 -5.14 105.19 113.55 2d87 n GLY 4 Ca 0.30 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 2d87 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d87 s SER 5 N -0.99 -0.85 0.14 1.61 0.15 -1.26 -5.17 113.70 107.33 2d87 s SER 5 Ca 0.00 1.38 0.07 0.00 0.70 0.00 0.00 55.95 58.09 2d87 s SER 5 Cb 0.00 1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 66.09 2d87 s SER 5 CO 0.00 -0.22 -0.01 -0.94 1.20 0.00 0.00 173.24 173.26 2d87 s SER 6 N 2.52 4.80 0.00 5.45 1.04 -1.26 -5.01 113.70 121.24 2d87 s SER 6 Ca -0.06 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2d87 s SER 6 Cb -0.11 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2d87 s SER 6 CO -0.17 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2d87 n GLY 7 N 0.16 -0.91 0.18 7.32 0.00 -1.26 -4.72 105.19 105.95 2d87 n GLY 7 Ca -0.10 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 2d87 n GLY 7 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2d87 h ILE 8 N 0.00 1.35 -1.97 -0.61 5.03 -2.00 -3.14 117.51 116.16 2d87 h ILE 8 Ca 0.00 -1.64 0.57 0.00 -0.12 0.00 0.00 64.86 63.67 2d87 h ILE 8 Cb 0.00 1.96 -0.08 0.00 -3.03 0.00 0.00 36.82 35.68 2d87 h ILE 8 CO 0.00 0.50 1.42 1.17 -0.68 0.00 0.00 178.15 180.56 2d87 n LYS 9 N -4.29 0.00 0.00 2.37 0.00 -1.26 -1.45 118.16 113.53 2d87 n LYS 9 Ca -0.06 1.07 0.00 0.00 0.00 0.00 0.00 58.31 59.32 2d87 n LYS 9 Cb 0.53 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 33.07 2d87 n LYS 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2d87 n GLN 10 N -3.90 0.00 -0.44 1.64 -0.06 -1.18 -3.16 117.38 110.28 2d87 n GLN 10 Ca 0.44 0.45 0.36 0.00 -2.00 0.00 0.00 57.00 56.25 2d87 n GLN 10 Cb 2.01 -0.96 0.58 0.00 -4.06 0.00 0.00 30.24 27.81 2d87 n GLN 10 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2d87 n MET 11 N -1.86 -0.02 0.21 3.69 0.00 -0.58 0.94 117.12 119.49 2d87 n MET 11 Ca 0.00 0.98 -0.13 0.00 0.00 0.00 0.00 57.70 58.55 2d87 n MET 11 Cb 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 33.22 31.13 2d87 n MET 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2d87 h LEU 12 N 0.00 -0.47 -0.19 3.17 3.38 -1.37 -0.23 115.31 119.61 2d87 h LEU 12 Ca 0.73 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.61 2d87 h LEU 12 Cb 2.51 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 43.36 2d87 h LEU 12 CO -0.28 -0.10 0.01 0.25 0.09 0.00 0.00 178.44 178.41 2d87 h LEU 13 N -0.89 -0.05 -0.88 1.67 5.85 0.61 0.22 115.31 121.84 2d87 h LEU 13 Ca -0.06 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2d87 h LEU 13 Cb 0.56 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2d87 h LEU 13 CO 0.09 0.00 0.57 -0.78 -0.34 0.00 0.00 178.44 177.99 2d87 h ASP 14 N 0.08 0.97 0.64 1.25 3.58 -1.24 -2.77 116.42 118.94 2d87 h ASP 14 Ca 0.09 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 2d87 h ASP 14 Cb 0.10 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 40.93 2d87 h ASP 14 CO -0.14 0.68 -0.31 -0.25 -2.88 0.00 0.00 179.24 176.34 2d87 h TRP 15 N 1.14 -0.80 -1.00 0.28 7.01 -0.47 -3.01 115.95 119.09 2d87 h TRP 15 Ca 0.34 -0.02 0.41 0.00 2.11 0.00 0.00 58.89 61.73 2d87 h TRP 15 Cb -0.05 0.27 -0.17 0.00 -2.10 0.00 0.00 29.16 27.11 2d87 h TRP 15 CO -0.01 -0.49 0.56 0.00 -2.79 0.00 0.00 178.44 175.71 2d87 h ARG 17 N 0.00 0.41 -0.80 0.00 3.08 -1.43 0.43 114.38 116.07 2d87 h ARG 17 Ca 0.82 -0.10 0.17 0.00 0.07 0.00 0.00 59.98 60.94 2d87 h ARG 17 Cb 2.23 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 32.17 2d87 h ARG 17 CO -0.70 0.50 0.54 0.00 -1.07 0.00 0.00 179.97 179.24 2d87 h ALA 18 N 0.89 2.21 0.00 0.04 0.00 0.13 0.89 119.26 123.42 2d87 h ALA 18 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2d87 h ALA 18 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2d87 h ALA 18 CO -0.00 -0.44 -1.31 1.63 0.00 0.00 0.00 179.25 179.14 2d87 n LYS 19 N -4.47 0.55 -1.52 0.00 4.76 -0.98 -4.21 118.16 112.29 2d87 n LYS 19 Ca 0.16 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.45 2d87 n LYS 19 Cb 0.61 -1.69 0.09 0.00 -1.84 0.00 0.00 35.03 32.21 2d87 n LYS 19 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2d87 n THR 20 N -2.40 2.48 -3.52 -0.18 -1.04 0.15 -4.78 114.28 104.99 2d87 n THR 20 Ca -0.01 -3.82 -0.37 0.00 -2.04 0.00 0.00 64.05 57.82 2d87 n THR 20 Cb 0.53 -0.84 -0.08 0.00 -1.82 0.00 0.00 70.33 68.12 2d87 n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d87 s ARG 21 N -3.49 4.18 0.00 -2.82 1.70 0.29 -4.28 118.95 114.53 2d87 s ARG 21 Ca 0.47 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.76 2d87 s ARG 21 Cb 0.40 -3.49 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 2d87 s ARG 21 CO 0.00 0.10 0.00 0.41 -1.08 0.00 0.00 175.30 174.73 2d87 n GLY 22 N 3.80 3.10 3.60 3.88 0.00 -1.26 -5.04 105.19 113.28 2d87 n GLY 22 Ca -0.12 -0.94 -0.63 0.00 0.00 0.00 0.00 46.02 44.33 2d87 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2d87 n TYR 23 N 0.00 1.13 -0.99 1.61 4.01 -1.26 -4.87 117.16 116.78 2d87 n TYR 23 Ca 0.00 1.10 -0.31 0.00 -0.16 0.00 0.00 57.90 58.52 2d87 n TYR 23 Cb 0.00 -2.15 0.13 0.00 -0.31 0.00 0.00 39.34 37.01 2d87 n TYR 23 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2d87 s GLU 24 N 1.31 1.61 -1.66 -0.72 2.56 -1.26 -3.00 118.70 117.53 2d87 s GLU 24 Ca 0.97 1.44 -0.21 0.00 0.00 0.00 0.00 54.97 57.17 2d87 s GLU 24 Cb -1.37 -1.80 0.21 0.00 2.00 0.00 0.00 34.13 33.17 2d87 s GLU 24 CO 0.68 -2.17 0.52 -2.39 -0.56 0.00 0.00 175.26 171.34 2d87 n HIS 25 N -3.79 -1.03 -3.72 5.30 1.44 -1.26 -4.87 115.22 107.29 2d87 n HIS 25 Ca 0.11 0.61 -0.12 0.00 -2.01 0.00 0.00 57.72 56.30 2d87 n HIS 25 Cb 0.52 -1.66 -0.13 0.00 0.12 0.00 0.00 29.99 28.85 2d87 n HIS 25 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2d87 s VAL 26 N -3.01 -0.06 -0.29 0.61 1.01 -1.16 -4.70 120.40 112.80 2d87 s VAL 26 Ca 0.73 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.85 2d87 s VAL 26 Cb -0.43 -0.39 0.18 0.00 0.00 0.00 0.00 36.38 35.74 2d87 s VAL 26 CO 0.91 0.06 0.55 -1.81 0.00 0.00 0.00 175.10 174.81 2d87 s ASP 27 N 1.33 -1.02 -1.03 3.32 1.01 -1.26 -4.74 116.67 114.28 2d87 s ASP 27 Ca -0.09 0.74 -0.18 0.00 0.71 0.00 0.00 52.55 53.73 2d87 s ASP 27 Cb -0.10 1.94 0.12 0.00 1.01 0.00 0.00 42.92 45.88 2d87 s ASP 27 CO -0.09 -0.27 1.29 -0.63 0.21 0.00 0.00 175.17 175.69 2d87 s ILE 28 N 2.79 4.63 -0.12 0.77 1.01 -1.26 -4.76 121.20 124.26 2d87 s ILE 28 Ca 0.19 -1.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.05 2d87 s ILE 28 Cb -0.15 -4.88 -0.26 0.00 0.01 0.00 0.00 42.46 37.17 2d87 s ILE 28 CO -0.20 -1.64 0.38 1.67 0.00 0.00 0.00 174.94 175.16 2d87 n GLN 29 N 6.83 0.76 -3.48 2.79 -0.06 -1.26 -4.87 117.38 118.10 2d87 n GLN 29 Ca 0.30 0.27 -0.11 0.00 -2.00 0.00 0.00 57.00 55.46 2d87 n GLN 29 Cb 0.48 -1.72 -0.02 0.00 -4.06 0.00 0.00 30.24 24.92 2d87 n GLN 29 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2d87 n ASN 30 N -3.51 -1.12 -1.77 1.69 6.94 -1.26 -5.06 115.26 111.18 2d87 n ASN 30 Ca -0.32 -2.50 -0.19 0.00 -0.02 0.00 0.00 54.58 51.56 2d87 n ASN 30 Cb 1.04 2.07 0.12 0.00 -2.36 0.00 0.00 39.78 40.66 2d87 n ASN 30 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2d87 n PHE 31 N -0.46 2.22 0.00 -2.53 3.72 -1.26 -4.26 117.46 114.89 2d87 n PHE 31 Ca 0.00 -2.13 0.00 0.00 -0.05 0.00 0.00 57.45 55.27 2d87 n PHE 31 Cb 0.47 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2d87 n PHE 31 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2d87 n SER 32 N -0.98 0.00 -1.50 4.37 7.64 -1.26 -2.52 113.62 119.37 2d87 n SER 32 Ca 0.46 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.21 2d87 n SER 32 Cb 1.00 -0.10 0.09 0.00 -1.01 0.00 0.00 64.21 64.19 2d87 n SER 32 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2d87 n SER 33 N -1.84 3.68 -0.07 6.43 2.88 -1.26 -3.06 113.62 120.37 2d87 n SER 33 Ca 0.00 -3.78 -0.13 0.00 -1.33 0.00 0.00 58.87 53.63 2d87 n SER 33 Cb 0.00 -0.41 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 2d87 n SER 33 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2d87 n SER 34 N -0.85 0.94 -0.04 -3.46 7.64 -1.26 -4.42 113.62 112.17 2d87 n SER 34 Ca 0.34 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2d87 n SER 34 Cb 0.87 0.15 -0.14 0.00 -1.01 0.00 0.00 64.21 64.07 2d87 n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2d87 n TRP 35 N -3.04 0.23 -0.23 1.43 7.02 -1.26 -4.41 117.44 117.17 2d87 n TRP 35 Ca -0.31 0.07 0.22 0.00 -1.02 0.00 0.00 57.50 56.46 2d87 n TRP 35 Cb 1.08 -0.84 0.40 0.00 -2.42 0.00 0.00 31.31 29.53 2d87 n TRP 35 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2d87 n SER 36 N -2.60 0.21 0.18 -0.99 3.41 -1.26 0.50 113.62 113.06 2d87 n SER 36 Ca -0.17 1.21 -0.16 0.00 -0.26 0.00 0.00 58.87 59.48 2d87 n SER 36 Cb 0.87 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 2d87 n SER 36 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2d87 h ASP 37 N 0.00 -1.44 0.00 4.04 5.19 -1.84 -3.48 116.42 118.88 2d87 h ASP 37 Ca 0.59 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2d87 h ASP 37 Cb 1.54 0.51 0.00 0.00 0.18 0.00 0.00 39.33 41.57 2d87 h ASP 37 CO -0.57 -0.57 0.00 0.61 -3.12 0.00 0.00 179.24 175.58 2d87 n GLY 38 N -1.49 1.88 0.26 2.75 0.00 0.18 -4.55 105.19 104.22 2d87 n GLY 38 Ca -0.09 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.64 2d87 n GLY 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d87 n MET 39 N 0.00 -0.06 -0.15 1.61 2.81 -1.26 -0.85 117.12 119.22 2d87 n MET 39 Ca 0.00 1.13 -0.04 0.00 -1.81 0.00 0.00 57.70 56.98 2d87 n MET 39 Cb 0.00 -1.80 -0.03 0.00 -0.71 0.00 0.00 33.22 30.67 2d87 n MET 39 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d87 n ALA 40 N -3.25 -0.22 -0.06 3.04 0.00 -1.26 0.02 120.51 118.77 2d87 n ALA 40 Ca 0.18 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.84 2d87 n ALA 40 Cb 0.60 0.14 -0.01 0.00 0.00 0.00 0.00 19.45 20.17 2d87 n ALA 40 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2d87 h PHE 41 N 0.00 -0.55 -0.19 0.00 0.04 -1.28 -2.04 116.94 112.91 2d87 h PHE 41 Ca 0.06 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.91 2d87 h PHE 41 Cb 0.14 0.28 -0.07 0.00 2.20 0.00 0.00 35.95 38.51 2d87 h PHE 41 CO -0.71 -0.29 -0.45 0.00 -0.60 0.00 0.00 178.31 176.26 2d87 h ALA 43 N 0.08 0.05 -0.82 0.00 0.00 -0.13 0.37 119.26 118.81 2d87 h ALA 43 Ca 0.08 0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.33 2d87 h ALA 43 Cb 0.63 0.64 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 2d87 h ALA 43 CO -0.45 -0.61 0.32 1.25 0.00 0.00 0.00 179.25 179.76 2d87 h LEU 44 N -0.15 0.25 0.28 0.00 5.85 -0.66 -1.72 115.31 119.17 2d87 h LEU 44 Ca 0.23 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 2d87 h LEU 44 Cb 0.51 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2d87 h LEU 44 CO -0.60 0.03 -0.14 0.58 -0.34 0.00 0.00 178.44 177.98 2d87 h VAL 45 N 0.40 0.00 -0.73 1.05 2.07 -0.20 -3.29 116.25 115.55 2d87 h VAL 45 Ca 0.48 -0.49 0.25 0.00 0.82 0.00 0.00 66.70 67.76 2d87 h VAL 45 Cb 0.83 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.47 2d87 h VAL 45 CO -0.48 0.00 0.19 1.57 0.02 0.00 0.00 177.57 178.86 2d87 n HIS 46 N -4.38 0.64 -0.19 1.57 -0.00 0.11 0.19 115.22 113.16 2d87 n HIS 46 Ca -0.05 0.88 -0.00 0.00 -0.00 0.00 0.00 57.72 58.55 2d87 n HIS 46 Cb 0.15 -1.16 0.09 0.00 -0.00 0.00 0.00 29.99 29.07 2d87 n HIS 46 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 2d87 h ASN 47 N 0.00 -0.13 0.39 0.26 -1.24 -1.39 -0.36 115.58 113.11 2d87 h ASN 47 Ca 0.53 0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.64 2d87 h ASN 47 Cb 1.25 0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.50 2d87 h ASN 47 CO -0.63 -0.05 -0.19 -0.26 -1.29 0.00 0.00 177.43 175.01 2d87 h PHE 48 N 0.18 -0.49 -3.37 0.67 0.04 0.19 -3.40 116.94 110.77 2d87 h PHE 48 Ca 0.30 -0.01 -0.65 0.00 2.80 0.00 0.00 57.97 60.41 2d87 h PHE 48 Cb 0.46 0.16 -0.40 0.00 2.20 0.00 0.00 35.95 38.37 2d87 h PHE 48 CO -0.30 -0.23 -0.54 -0.06 -0.60 0.00 0.00 178.31 176.58 2d87 s PHE 49 N -3.54 3.33 0.10 -0.55 0.40 -0.75 -4.94 117.98 112.03 2d87 s PHE 49 Ca -0.10 -3.10 -0.15 0.00 -0.60 0.00 0.00 56.93 52.98 2d87 s PHE 49 Cb 0.01 -2.90 -0.08 0.00 0.51 0.00 0.00 43.02 40.55 2d87 s PHE 49 CO 0.31 -0.73 1.42 -1.00 0.70 0.00 0.00 175.22 175.92 2d87 h PRO 50 N 6.40 0.71 -0.47 0.24 0.13 -1.29 -3.24 132.00 134.47 2d87 h PRO 50 Ca -0.02 -0.38 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2d87 h PRO 50 Cb 0.88 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 2d87 h PRO 50 CO 0.71 0.99 0.15 0.93 -0.23 0.00 0.00 178.00 180.55 2d87 h GLU 51 N 0.45 0.73 -0.91 0.86 5.08 -1.92 -2.92 114.58 115.96 2d87 h GLU 51 Ca 0.05 -0.16 0.36 0.00 -1.00 0.00 0.00 59.36 58.61 2d87 h GLU 51 Cb 0.86 -0.11 -0.17 0.00 0.50 0.00 0.00 28.75 29.84 2d87 h GLU 51 CO 0.07 0.70 0.42 0.00 -1.00 0.00 0.00 179.01 179.20 2d87 n ALA 52 N -2.35 0.87 -3.57 3.43 0.00 -1.22 -4.52 120.51 113.14 2d87 n ALA 52 Ca 0.01 0.94 -0.15 0.00 0.00 0.00 0.00 53.44 54.24 2d87 n ALA 52 Cb 0.19 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 2d87 n ALA 52 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2d87 s PHE 53 N -5.47 -0.62 0.04 0.00 -0.71 -1.10 -5.00 117.98 105.12 2d87 s PHE 53 Ca -0.09 1.27 -0.30 0.00 -1.04 0.00 0.00 56.93 56.77 2d87 s PHE 53 Cb 0.30 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.45 2d87 s PHE 53 CO 0.71 -0.45 0.98 -0.51 -1.34 0.00 0.00 175.22 174.61 2d87 s ASP 54 N -0.57 7.40 -0.08 1.98 1.01 -1.26 -4.71 116.67 120.44 2d87 s ASP 54 Ca -0.05 1.72 -0.01 0.00 0.71 0.00 0.00 52.55 54.92 2d87 s ASP 54 Cb -0.02 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 2d87 s ASP 54 CO 0.04 -0.21 0.05 0.22 0.21 0.00 0.00 175.17 175.48 2d87 h TYR 55 N 6.40 -0.04 -1.40 4.23 3.20 -1.96 -3.33 116.97 124.08 2d87 h TYR 55 Ca -0.42 -0.00 0.42 0.00 3.14 0.00 0.00 58.73 61.87 2d87 h TYR 55 Cb 1.22 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 39.41 2d87 h TYR 55 CO 0.67 -0.02 0.96 0.78 -1.64 0.00 0.00 178.16 178.90 2d87 h GLY 56 N -0.86 0.67 1.05 1.82 0.00 -2.01 0.68 103.07 104.43 2d87 h GLY 56 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 2d87 h GLY 56 CO 0.01 -0.17 0.57 1.46 0.00 0.00 0.00 176.54 178.41 2d87 h GLN 57 N 0.09 1.26 -7.29 4.80 1.08 -1.99 -3.43 115.11 109.63 2d87 h GLN 57 Ca 0.75 -0.11 -0.50 0.00 -1.45 0.00 0.00 58.65 57.34 2d87 h GLN 57 Cb 2.61 -0.27 0.16 0.00 -0.05 0.00 0.00 27.48 29.94 2d87 h GLN 57 CO -0.20 0.87 0.24 -0.51 -0.95 0.00 0.00 178.83 178.28 2d87 s LEU 58 N -9.99 2.58 0.09 1.46 1.43 0.24 -5.06 118.68 109.42 2d87 s LEU 58 Ca -0.13 1.82 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 2d87 s LEU 58 Cb 0.17 -4.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.08 2d87 s LEU 58 CO 0.82 -2.72 -0.11 -0.44 0.23 0.00 0.00 176.35 174.13 2d87 s SER 59 N -3.10 1.50 0.05 2.29 0.01 -1.26 -5.03 113.70 108.16 2d87 s SER 59 Ca 0.64 -0.76 -0.19 0.00 1.31 0.00 0.00 55.95 56.95 2d87 s SER 59 Cb -0.20 -0.01 -0.13 0.00 0.21 0.00 0.00 66.02 65.89 2d87 s SER 59 CO 0.58 -0.21 1.37 1.55 0.41 0.00 0.00 173.24 176.93 2d87 h PRO 60 N 3.76 0.43 -1.15 12.44 0.13 -1.97 -3.09 132.00 142.55 2d87 h PRO 60 Ca -0.38 -0.22 0.33 0.00 -0.87 0.00 0.00 66.00 64.85 2d87 h PRO 60 Cb 1.19 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 2d87 h PRO 60 CO 0.49 0.79 0.81 0.37 -0.23 0.00 0.00 178.00 180.23 2d87 h GLN 61 N 0.09 0.08 -6.18 0.86 5.75 -1.97 -3.34 115.11 110.39 2d87 h GLN 61 Ca 0.03 -0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.99 2d87 h GLN 61 Cb 0.70 -0.02 -0.08 0.00 1.07 0.00 0.00 27.48 29.16 2d87 h GLN 61 CO 0.04 0.05 1.20 -0.80 -2.65 0.00 0.00 178.83 176.67 2d87 s ASN 62 N -5.19 6.05 0.02 -0.69 0.01 -1.17 -4.84 114.94 109.14 2d87 s ASN 62 Ca -0.06 -0.64 -0.20 0.00 -0.71 0.00 0.00 52.86 51.26 2d87 s ASN 62 Cb 0.24 -2.56 -0.18 0.00 0.41 0.00 0.00 41.25 39.16 2d87 s ASN 62 CO 0.80 -1.90 1.23 0.03 -1.51 0.00 0.00 177.10 175.76 2d87 h ARG 63 N 10.77 0.39 0.30 -0.60 -0.00 -1.80 -3.03 114.38 120.41 2d87 h ARG 63 Ca -0.11 -0.28 -0.01 0.00 -0.50 0.00 0.00 59.98 59.07 2d87 h ARG 63 Cb 1.05 0.05 0.00 0.00 0.00 0.00 0.00 29.97 31.07 2d87 h ARG 63 CO 1.31 0.90 -0.14 0.00 0.00 0.00 0.00 179.97 182.04 2d87 h ARG 64 N -0.06 -0.38 -0.84 0.04 3.08 -1.91 -3.19 114.38 111.12 2d87 h ARG 64 Ca -0.01 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.14 2d87 h ARG 64 Cb 0.93 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.97 2d87 h ARG 64 CO 0.07 -0.26 -0.50 0.94 -1.07 0.00 0.00 179.97 179.15 2d87 n GLN 65 N -3.82 -0.37 -0.35 0.04 -0.06 -1.26 0.03 117.38 111.60 2d87 n GLN 65 Ca -0.05 1.31 0.00 0.00 -2.00 0.00 0.00 57.00 56.27 2d87 n GLN 65 Cb 0.16 -1.93 0.06 0.00 -4.06 0.00 0.00 30.24 24.47 2d87 n GLN 65 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2d87 h ASN 66 N 0.00 -1.26 0.09 1.69 2.35 -1.65 0.33 115.58 117.14 2d87 h ASN 66 Ca 0.13 0.30 -0.00 0.00 -0.55 0.00 0.00 56.30 56.18 2d87 h ASN 66 Cb 0.34 0.69 0.00 0.00 0.05 0.00 0.00 38.32 39.41 2d87 h ASN 66 CO -0.79 -0.30 -0.04 -0.26 -1.65 0.00 0.00 177.43 174.39 2d87 h PHE 67 N -0.02 -0.11 0.06 1.19 -1.00 -0.38 -2.05 116.94 114.63 2d87 h PHE 67 Ca 0.36 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.15 2d87 h PHE 67 Cb 0.62 0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 2d87 h PHE 67 CO -0.81 0.13 -0.33 0.93 -1.61 0.00 0.00 178.31 176.62 2d87 h GLU 68 N -0.35 -0.44 -0.66 1.51 5.08 0.16 -0.66 114.58 119.23 2d87 h GLU 68 Ca -0.01 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 2d87 h GLU 68 Cb 0.29 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.53 2d87 h GLU 68 CO 0.02 -0.29 -0.03 0.28 -1.00 0.00 0.00 179.01 177.99 2d87 h VAL 69 N -0.45 0.43 -0.70 3.13 2.07 -0.51 0.33 116.25 120.54 2d87 h VAL 69 Ca -0.00 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.60 2d87 h VAL 69 Cb 0.46 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 2d87 h VAL 69 CO -0.19 0.02 0.29 0.00 0.02 0.00 0.00 177.57 177.71 2d87 h ALA 70 N 1.61 0.96 0.36 1.67 0.00 -0.83 0.80 119.26 123.83 2d87 h ALA 70 Ca 0.34 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2d87 h ALA 70 Cb 0.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2d87 h ALA 70 CO -0.59 -0.17 -0.17 0.74 0.00 0.00 0.00 179.25 179.06 2d87 h PHE 71 N 0.46 -0.45 0.47 0.00 0.04 0.62 -3.24 116.94 114.84 2d87 h PHE 71 Ca 0.37 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 2d87 h PHE 71 Cb 0.50 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 2d87 h PHE 71 CO -0.16 -0.25 -0.51 0.77 -0.60 0.00 0.00 178.31 177.56 2d87 h SER 72 N -1.11 -1.41 -0.74 2.17 0.02 -0.31 -2.05 113.55 110.11 2d87 h SER 72 Ca -0.05 0.12 0.22 0.00 -0.84 0.00 0.00 61.79 61.24 2d87 h SER 72 Cb 0.40 0.47 -0.14 0.00 0.14 0.00 0.00 62.40 63.27 2d87 h SER 72 CO 0.08 -0.66 0.07 -1.54 -1.14 0.00 0.00 176.83 173.64 2d87 n SER 73 N -5.51 -0.04 0.03 3.07 3.41 0.28 -0.95 113.62 113.91 2d87 n SER 73 Ca -0.12 1.26 -0.01 0.00 -0.26 0.00 0.00 58.87 59.74 2d87 n SER 73 Cb 0.46 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 2d87 n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d87 h ALA 74 N 1.49 -0.62 -1.26 7.33 0.00 -1.44 -3.18 119.26 121.57 2d87 h ALA 74 Ca 0.48 -0.02 0.41 0.00 0.00 0.00 0.00 54.91 55.78 2d87 h ALA 74 Cb 1.03 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 2d87 h ALA 74 CO -0.68 -0.61 0.84 -1.91 0.00 0.00 0.00 179.25 176.88 2d87 n GLU 75 N -2.34 -0.02 -0.10 0.00 2.13 -0.30 -0.17 120.64 119.83 2d87 n GLU 75 Ca -0.01 0.99 -0.03 0.00 0.66 0.00 0.00 57.16 58.77 2d87 n GLU 75 Cb 0.03 -2.03 -0.02 0.00 0.27 0.00 0.00 31.44 29.69 2d87 n GLU 75 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2d87 n THR 76 N -4.14 -0.17 -0.01 6.31 -1.04 -0.12 -0.43 114.28 114.68 2d87 n THR 76 Ca 0.34 1.37 0.02 0.00 -2.04 0.00 0.00 64.05 63.74 2d87 n THR 76 Cb 1.38 -1.77 -0.05 0.00 -1.82 0.00 0.00 70.33 68.07 2d87 n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2d87 n HIS 77 N -3.48 0.00 0.06 -1.42 1.44 -0.52 -4.59 115.22 106.71 2d87 n HIS 77 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 2d87 n HIS 77 Cb 0.06 -0.19 -0.09 0.00 0.12 0.00 0.00 29.99 29.89 2d87 n HIS 77 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2d87 h ALA 78 N 0.55 0.51 -2.57 1.59 0.00 -0.58 -3.47 119.26 115.29 2d87 h ALA 78 Ca -0.04 -0.93 -0.38 0.00 0.00 0.00 0.00 54.91 53.57 2d87 h ALA 78 Cb 0.53 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2d87 h ALA 78 CO 0.00 1.17 -0.44 -3.47 0.00 0.00 0.00 179.25 176.51 2d87 n ASP 79 N -3.24 -5.29 -4.69 0.00 2.03 0.43 -4.84 116.55 100.95 2d87 n ASP 79 Ca -0.04 0.16 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 2d87 n ASP 79 Cb 0.92 -4.51 0.00 0.00 -0.72 0.00 0.00 41.12 36.81 2d87 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d87 s PRO 81 N -2.03 4.14 -1.14 0.00 0.04 -1.26 -4.60 135.00 130.16 2d87 s PRO 81 Ca 0.59 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.38 2d87 s PRO 81 Cb -0.55 -3.93 -0.07 0.00 0.04 0.00 0.00 34.50 29.99 2d87 s PRO 81 CO 0.60 -0.87 1.91 1.04 0.04 0.00 0.00 177.00 179.72 2d87 n GLN 82 N 7.05 1.88 0.12 4.56 6.02 -1.26 -4.71 117.38 131.04 2d87 n GLN 82 Ca 0.16 -2.49 -0.06 0.00 -0.01 0.00 0.00 57.00 54.61 2d87 n GLN 82 Cb 0.44 -3.52 -0.03 0.00 1.02 0.00 0.00 30.24 28.15 2d87 n GLN 82 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2d87 h LEU 83 N 15.88 -0.32 -9.84 1.08 3.38 -2.01 -3.46 115.31 120.03 2d87 h LEU 83 Ca 0.31 0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.73 2d87 h LEU 83 Cb 0.86 0.08 0.17 0.00 0.09 0.00 0.00 40.66 41.87 2d87 h LEU 83 CO 1.43 0.06 0.02 0.18 0.09 0.00 0.00 178.44 180.22 2d87 n LEU 84 N -4.64 3.12 -4.06 1.67 4.77 -1.26 -4.96 117.00 111.63 2d87 n LEU 84 Ca -0.05 0.71 -0.35 0.00 -0.03 0.00 0.00 56.01 56.30 2d87 n LEU 84 Cb 0.15 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 39.78 2d87 n LEU 84 CO 0.11 -2.17 0.03 -1.81 -1.33 0.00 0.00 177.39 172.22 2d87 s ASP 85 N -1.44 5.11 0.26 -1.43 1.11 -1.26 -4.96 116.67 114.06 2d87 s ASP 85 Ca 0.73 -3.01 -0.03 0.00 0.18 0.00 0.00 52.55 50.43 2d87 s ASP 85 Cb -0.38 -1.81 0.52 0.00 1.07 0.00 0.00 42.92 42.32 2d87 s ASP 85 CO 0.50 -0.32 1.38 0.41 1.18 0.00 0.00 175.17 178.32 2d87 n THR 86 N 3.25 -0.37 -0.23 -1.27 -1.04 -1.26 0.13 114.28 113.49 2d87 n THR 86 Ca 0.09 1.98 0.04 0.00 -2.04 0.00 0.00 64.05 64.12 2d87 n THR 86 Cb 0.37 -2.81 0.16 0.00 -1.82 0.00 0.00 70.33 66.23 2d87 n THR 86 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2d87 h GLU 87 N 0.00 0.29 0.03 -2.82 4.39 -2.00 0.96 114.58 115.43 2d87 h GLU 87 Ca 0.47 -0.02 -0.22 0.00 0.34 0.00 0.00 59.36 59.94 2d87 h GLU 87 Cb 0.84 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2d87 h GLU 87 CO -0.87 0.19 -0.97 -0.44 -1.16 0.00 0.00 179.01 175.76 2d87 h ASP 88 N 0.30 0.28 -0.55 1.42 3.32 0.69 -3.28 116.42 118.60 2d87 h ASP 88 Ca 0.38 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2d87 h ASP 88 Cb 0.62 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 2d87 h ASP 88 CO -0.46 1.10 0.35 0.24 -1.72 0.00 0.00 179.24 178.75 2d87 h MET 89 N 0.10 0.73 0.20 3.56 2.86 0.12 0.15 114.93 122.66 2d87 h MET 89 Ca -0.06 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2d87 h MET 89 Cb 1.64 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 2d87 h MET 89 CO 0.15 0.50 -0.27 0.28 1.06 0.00 0.00 176.91 178.63 2d87 h VAL 90 N 0.74 0.00 -0.83 -2.22 2.07 -0.95 -2.83 116.25 112.23 2d87 h VAL 90 Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.76 2d87 h VAL 90 Cb -0.06 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.66 2d87 h VAL 90 CO -0.04 0.00 0.53 0.08 0.02 0.00 0.00 177.57 178.16 2d87 h ARG 91 N -0.50 0.99 -6.13 1.57 0.11 -1.63 -3.41 114.38 105.38 2d87 h ARG 91 Ca -0.02 -0.06 -0.63 0.00 0.10 0.00 0.00 59.98 59.36 2d87 h ARG 91 Cb 0.45 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.31 2d87 h ARG 91 CO -0.07 0.66 1.26 1.28 0.10 0.00 0.00 179.97 183.19 2d87 n LEU 92 N -4.58 2.97 -0.33 0.08 4.77 0.52 -4.80 117.00 115.63 2d87 n LEU 92 Ca 0.10 0.67 0.32 0.00 -0.03 0.00 0.00 56.01 57.08 2d87 n LEU 92 Cb 0.10 -1.36 0.59 0.00 -2.33 0.00 0.00 43.42 40.42 2d87 n LEU 92 CO 0.33 -0.39 1.06 -1.14 -1.33 0.00 0.00 177.39 175.93 2d87 n ARG 93 N 7.45 -0.06 -3.59 3.23 3.00 -1.26 -4.53 116.66 120.90 2d87 n ARG 93 Ca 0.30 1.36 -0.13 0.00 -0.00 0.00 0.00 57.85 59.37 2d87 n ARG 93 Cb 0.29 -2.46 -0.06 0.00 0.00 0.00 0.00 32.46 30.23 2d87 n ARG 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2d87 s GLU 94 N -5.49 0.78 -0.27 -0.14 -1.05 -1.26 -5.00 118.70 106.28 2d87 s GLU 94 Ca -0.09 0.55 -0.29 0.00 -0.15 0.00 0.00 54.97 55.00 2d87 s GLU 94 Cb 0.34 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 34.38 2d87 s GLU 94 CO 0.78 -0.17 1.64 -1.25 0.95 0.00 0.00 175.26 177.21 2d87 s PRO 95 N -0.36 3.66 0.21 -4.83 0.04 -1.17 -4.94 135.00 127.60 2d87 s PRO 95 Ca -0.03 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.23 2d87 s PRO 95 Cb -0.03 -4.08 -0.15 0.00 0.04 0.00 0.00 34.50 30.29 2d87 s PRO 95 CO 0.02 -1.46 1.18 -0.25 0.04 0.00 0.00 177.00 176.52 2d87 n ASP 96 N 8.95 1.59 -0.20 6.66 9.92 -1.26 -4.30 116.55 137.92 2d87 n ASP 96 Ca 0.20 1.15 0.00 0.00 -0.53 0.00 0.00 54.79 55.61 2d87 n ASP 96 Cb 0.46 -1.27 0.11 0.00 -0.64 0.00 0.00 41.12 39.77 2d87 n ASP 96 CO 0.00 0.00 0.00 4.11 0.13 0.00 0.00 177.20 181.44 2d87 h TRP 97 N 3.24 0.30 -0.87 1.24 5.08 -1.82 -0.74 115.95 122.38 2d87 h TRP 97 Ca -0.43 0.03 0.19 0.00 1.08 0.00 0.00 58.89 59.77 2d87 h TRP 97 Cb 1.33 -0.04 -0.11 0.00 -3.00 0.00 0.00 29.16 27.33 2d87 h TRP 97 CO 0.53 0.04 0.39 0.87 -1.28 0.00 0.00 178.44 178.99 2d87 h LYS 98 N 0.33 0.45 0.41 0.12 1.57 -1.89 0.79 116.57 118.36 2d87 h LYS 98 Ca 0.31 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 2d87 h LYS 98 Cb 0.41 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2d87 h LYS 98 CO -0.35 0.30 -0.20 0.00 -0.57 0.00 0.00 179.45 178.63 2d87 h VAL 100 N -0.99 0.18 -0.50 0.00 2.07 -0.94 0.16 116.25 116.23 2d87 h VAL 100 Ca -0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2d87 h VAL 100 Cb 0.42 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 2d87 h VAL 100 CO 0.09 0.00 -0.03 0.22 0.02 0.00 0.00 177.57 177.87 2d87 h TYR 101 N -0.01 -0.09 -0.20 1.57 5.03 -0.94 -0.97 116.97 121.36 2d87 h TYR 101 Ca 0.37 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.78 2d87 h TYR 101 Cb 0.59 0.12 -0.07 0.00 1.55 0.00 0.00 36.73 38.92 2d87 h TYR 101 CO -0.65 -0.14 -0.27 1.15 -1.32 0.00 0.00 178.16 176.93 2d87 h THR 102 N 0.08 0.36 -0.04 1.81 2.02 -0.56 0.17 112.91 116.75 2d87 h THR 102 Ca 0.25 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.46 2d87 h THR 102 Cb 0.38 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2d87 h THR 102 CO -0.44 0.00 -0.13 0.22 0.37 0.00 0.00 175.52 175.54 2d87 h TYR 103 N -0.30 -0.32 0.08 3.16 3.20 -0.95 0.13 116.97 121.96 2d87 h TYR 103 Ca 0.12 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.03 2d87 h TYR 103 Cb 0.49 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 2d87 h TYR 103 CO -0.40 -0.19 -0.27 0.82 -1.64 0.00 0.00 178.16 176.48 2d87 h ILE 104 N -0.19 0.39 -0.69 1.81 1.08 -0.69 0.14 117.51 119.37 2d87 h ILE 104 Ca 0.06 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.59 2d87 h ILE 104 Cb 0.27 0.39 -0.06 0.00 -3.07 0.00 0.00 36.82 34.36 2d87 h ILE 104 CO -0.15 0.00 0.39 -0.61 -0.69 0.00 0.00 178.15 177.08 2d87 h GLN 105 N -0.46 0.69 0.57 2.37 5.75 -0.48 0.11 115.11 123.66 2d87 h GLN 105 Ca 0.04 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2d87 h GLN 105 Cb 0.51 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 28.91 2d87 h GLN 105 CO -0.19 0.46 -0.27 1.49 -2.65 0.00 0.00 178.83 177.67 2d87 h GLU 106 N 0.72 -0.74 -0.32 1.69 4.57 -0.20 -2.59 114.58 117.71 2d87 h GLU 106 Ca 0.31 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.59 2d87 h GLU 106 Cb 0.19 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.89 2d87 h GLU 106 CO -0.18 -0.48 -0.01 0.35 -1.18 0.00 0.00 179.01 177.52 2d87 h PHE 107 N -0.80 -0.03 -0.69 0.92 3.57 -0.49 -2.18 116.94 117.24 2d87 h PHE 107 Ca -0.08 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.60 2d87 h PHE 107 Cb 0.60 0.06 -0.12 0.00 2.79 0.00 0.00 35.95 39.28 2d87 h PHE 107 CO -0.03 -0.06 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.03 2d87 h TYR 108 N 0.08 -0.11 -0.90 0.41 5.03 -0.89 0.22 116.97 120.81 2d87 h TYR 108 Ca 0.15 0.05 0.12 0.00 2.58 0.00 0.00 58.73 61.63 2d87 h TYR 108 Cb 0.21 0.16 -0.08 0.00 1.55 0.00 0.00 36.73 38.57 2d87 h TYR 108 CO -0.24 -0.23 0.52 -0.09 -1.32 0.00 0.00 178.16 176.81 2d87 h ARG 109 N 0.08 0.80 -0.07 1.82 2.43 -0.99 -0.36 114.38 118.10 2d87 h ARG 109 Ca 0.37 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2d87 h ARG 109 Cb 0.61 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2d87 h ARG 109 CO -0.63 0.53 0.01 0.00 -1.51 0.00 0.00 179.97 178.37 2d87 h LEU 111 N -0.12 -1.06 -0.95 0.00 3.38 -0.53 0.23 115.31 116.27 2d87 h LEU 111 Ca 0.02 0.08 0.29 0.00 0.09 0.00 0.00 57.88 58.36 2d87 h LEU 111 Cb 0.27 0.33 -0.16 0.00 0.09 0.00 0.00 40.66 41.20 2d87 h LEU 111 CO 0.00 -0.59 0.33 0.58 0.09 0.00 0.00 178.44 178.85 2d87 h VAL 112 N -0.91 0.22 -0.10 1.22 2.07 -1.13 0.38 116.25 118.00 2d87 h VAL 112 Ca -0.06 -0.06 -0.22 0.00 0.82 0.00 0.00 66.70 67.19 2d87 h VAL 112 Cb 0.77 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2d87 h VAL 112 CO 0.00 0.03 -0.79 1.56 0.02 0.00 0.00 177.57 178.40 2d87 h GLN 113 N 0.17 0.71 -0.86 1.57 1.08 -1.21 -3.21 115.11 113.37 2d87 h GLN 113 Ca 0.65 -0.63 0.08 0.00 -1.45 0.00 0.00 58.65 57.30 2d87 h GLN 113 Cb 1.44 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 28.96 2d87 h GLN 113 CO -0.70 1.24 0.56 0.87 -0.95 0.00 0.00 178.83 179.84 2d87 h LYS 114 N 0.40 0.86 0.00 1.46 1.79 0.30 -3.46 116.57 117.93 2d87 h LYS 114 Ca -0.07 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 2d87 h LYS 114 Cb 1.43 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2d87 h LYS 114 CO 0.16 0.57 0.00 0.41 -1.08 0.00 0.00 179.45 179.51 2d87 n GLY 115 N -1.41 1.80 0.18 3.86 0.00 0.05 -5.05 105.19 104.61 2d87 n GLY 115 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2d87 n GLY 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d87 n LEU 116 N 0.00 1.86 -4.69 0.99 4.77 -1.14 -4.97 117.00 113.82 2d87 n LEU 116 Ca 0.00 0.32 -0.35 0.00 -0.03 0.00 0.00 56.01 55.95 2d87 n LEU 116 Cb 0.00 -0.78 -0.09 0.00 -2.33 0.00 0.00 43.42 40.22 2d87 n LEU 116 CO 0.00 0.54 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.63 2d87 s VAL 117 N -2.49 4.59 -0.27 4.08 1.01 -1.26 -5.02 120.40 121.03 2d87 s VAL 117 Ca -0.37 -0.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 2d87 s VAL 117 Cb 0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2d87 s VAL 117 CO 0.46 0.57 0.16 -0.75 0.00 0.00 0.00 175.10 175.54 2d87 s LYS 118 N -0.51 3.89 -0.06 2.72 2.36 -1.26 -4.46 119.74 122.41 2d87 s LYS 118 Ca 0.10 -0.36 0.04 0.00 -2.55 0.00 0.00 55.97 53.20 2d87 s LYS 118 Cb -0.12 -3.58 -0.02 0.00 -1.05 0.00 0.00 37.83 33.06 2d87 s LYS 118 CO 0.02 -0.17 -0.18 -0.08 1.55 0.00 0.00 175.35 176.49 2d87 s THR 119 N 1.70 2.71 0.51 3.43 -1.32 -1.26 -5.13 115.64 116.29 2d87 s THR 119 Ca 0.07 -0.84 -0.12 0.00 -1.21 0.00 0.00 61.69 59.59 2d87 s THR 119 Cb -0.16 -2.04 -0.06 0.00 -1.51 0.00 0.00 72.50 68.73 2d87 s THR 119 CO 0.09 0.58 0.92 -1.59 -2.21 0.00 0.00 174.62 172.41 2d87 s LYS 120 N -0.45 3.76 -0.03 7.08 -2.85 -1.26 -5.06 119.74 120.93 2d87 s LYS 120 Ca 0.05 0.68 -0.16 0.00 -1.00 0.00 0.00 55.97 55.55 2d87 s LYS 120 Cb -0.12 -2.21 -0.05 0.00 -2.06 0.00 0.00 37.83 33.38 2d87 s LYS 120 CO 0.02 -0.28 0.43 0.15 0.10 0.00 0.00 175.35 175.76 2d87 s LYS 121 N -4.40 4.06 -0.10 1.78 -0.14 -1.26 -5.06 119.74 114.62 2d87 s LYS 121 Ca 0.54 0.43 -0.27 0.00 -1.36 0.00 0.00 55.97 55.32 2d87 s LYS 121 Cb -0.10 -3.28 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 2d87 s LYS 121 CO 0.39 0.54 0.88 -1.54 -0.76 0.00 0.00 175.35 174.87 2d87 s SER 122 N -0.61 7.12 -0.08 2.83 1.04 -1.26 -5.05 113.70 117.70 2d87 s SER 122 Ca 0.24 1.36 0.04 0.00 0.48 0.00 0.00 55.95 58.07 2d87 s SER 122 Cb -0.16 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.45 2d87 s SER 122 CO 0.13 -0.34 -0.19 -0.94 0.98 0.00 0.00 173.24 172.88 2d87 s SER 123 N 1.05 3.58 0.74 7.02 1.04 -1.26 -5.13 113.70 120.74 2d87 s SER 123 Ca 0.43 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 2d87 s SER 123 Cb -0.18 -1.06 0.13 0.00 0.10 0.00 0.00 66.02 65.00 2d87 s SER 123 CO 0.18 0.25 1.03 -0.83 0.98 0.00 0.00 173.24 174.84 2d87 s GLY 124 N -0.17 1.76 -0.51 7.32 0.00 -1.26 -4.99 107.32 109.47 2d87 s GLY 124 Ca -0.02 -1.59 -0.27 0.00 0.00 0.00 0.00 44.72 42.84 2d87 s GLY 124 CO 0.04 -1.02 1.80 2.56 0.00 0.00 0.00 173.10 176.48 2d87 s PRO 125 N -5.23 2.92 0.69 2.90 0.04 -1.26 -4.98 135.00 130.08 2d87 s PRO 125 Ca 0.66 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.43 2d87 s PRO 125 Cb -0.06 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 30.20 2d87 s PRO 125 CO 0.45 -2.37 1.18 -1.54 0.04 0.00 0.00 177.00 174.76 2d87 s SER 126 N 7.14 4.59 -0.23 6.66 1.04 -1.26 -5.02 113.70 126.62 2d87 s SER 126 Ca 0.70 2.27 -0.03 0.00 0.48 0.00 0.00 55.95 59.37 2d87 s SER 126 Cb -0.16 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.39 2d87 s SER 126 CO 0.26 -1.99 -0.05 -0.44 0.98 0.00 0.00 173.24 172.00 2d87 s SER 127 N -2.10 4.27 0.00 7.02 0.01 -1.26 -5.33 113.70 116.31 2d87 s SER 127 Ca 0.73 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2d87 s SER 127 Cb -0.27 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2d87 s SER 127 CO 0.42 -0.06 0.00 0.61 0.41 0.00 0.00 173.24 174.62