#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ein s SER 2 N 0.00 0.11 0.00 0.00 1.04 -1.26 -5.18 113.70 108.42 2ein s SER 2 Ca 0.00 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.39 2ein s SER 2 Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2ein s SER 2 CO 0.00 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.51 2ein n GLY 3 N -0.46 -0.58 0.00 7.32 0.00 -1.26 -5.19 105.19 105.02 2ein n GLY 3 Ca -0.03 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2ein n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ein n GLY 4 N 0.00 5.28 0.00 -0.02 0.00 -1.26 -5.03 105.19 104.16 2ein n GLY 4 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2ein n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ein n GLY 5 N 0.00 1.04 3.13 -0.02 0.00 -1.26 -5.08 105.19 103.00 2ein n GLY 5 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2ein n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ein s VAL 6 N -2.00 2.53 0.77 1.61 1.01 -1.26 -5.10 120.40 117.96 2ein s VAL 6 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 2ein s VAL 6 Cb 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2ein s VAL 6 CO 0.00 0.09 0.43 -0.81 0.00 0.00 0.00 175.10 174.81 2ein n PRO 7 N 4.56 0.16 -3.71 2.72 -0.04 -1.26 -5.02 135.00 132.42 2ein n PRO 7 Ca -0.15 0.09 -0.23 0.00 -0.04 0.00 0.00 63.50 63.17 2ein n PRO 7 Cb 0.45 -1.77 -0.01 0.00 -0.04 0.00 0.00 33.50 32.12 2ein n PRO 7 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ein s THR 8 N -2.01 2.12 0.06 0.52 -4.23 -1.26 -4.97 115.64 105.86 2ein s THR 8 Ca 0.62 -1.41 -0.26 0.00 -1.18 0.00 0.00 61.69 59.46 2ein s THR 8 Cb -0.32 -2.53 -0.17 0.00 1.34 0.00 0.00 72.50 70.82 2ein s THR 8 CO 0.61 0.00 1.57 0.44 -0.54 0.00 0.00 174.62 176.70 2ein h ASP 9 N 0.85 -0.24 -0.80 3.99 3.32 -1.97 -1.56 116.42 120.01 2ein h ASP 9 Ca -0.38 -0.08 0.19 0.00 0.02 0.00 0.00 57.03 56.78 2ein h ASP 9 Cb 1.28 0.06 -0.14 0.00 0.22 0.00 0.00 39.33 40.76 2ein h ASP 9 CO 0.57 -0.07 0.06 -0.08 -1.72 0.00 0.00 179.24 177.99 2ein h GLU 10 N -0.40 0.12 -0.01 3.56 4.57 -1.95 0.40 114.58 120.86 2ein h GLU 10 Ca -0.03 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 57.97 2ein h GLU 10 Cb 0.31 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 2ein h GLU 10 CO 0.05 0.08 -0.77 0.93 -1.18 0.00 0.00 179.01 178.11 2ein h GLU 11 N 0.12 0.14 0.00 1.92 5.08 -1.92 -3.39 114.58 116.54 2ein h GLU 11 Ca 0.46 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 2ein h GLU 11 Cb 0.84 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2ein h GLU 11 CO -0.69 0.84 -1.34 0.94 -1.00 0.00 0.00 179.01 177.76 2ein n GLN 12 N -3.71 0.86 -1.59 2.33 7.27 -0.60 -4.95 117.38 116.99 2ein n GLN 12 Ca -0.02 -0.05 -0.45 0.00 0.07 0.00 0.00 57.00 56.55 2ein n GLN 12 Cb 0.74 -1.16 -0.02 0.00 2.41 0.00 0.00 30.24 32.21 2ein n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ein n ALA 13 N -1.86 -0.24 -3.06 1.69 0.00 0.13 -4.96 120.51 112.21 2ein n ALA 13 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2ein n ALA 13 Cb 0.30 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2ein n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2ein n THR 14 N 0.34 0.00 -0.04 0.00 5.66 -1.26 -4.77 114.28 114.21 2ein n THR 14 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2ein n THR 14 Cb 0.31 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.09 2ein n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ein n GLY 15 N 0.40 0.95 0.28 1.09 0.00 -1.26 -0.91 105.19 105.75 2ein n GLY 15 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.56 2ein n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ein h LEU 16 N 0.00 0.28 -1.08 0.99 5.85 -1.99 -1.85 115.31 117.51 2ein h LEU 16 Ca 0.00 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2ein h LEU 16 Cb 0.00 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2ein h LEU 16 CO 0.00 0.26 -0.45 1.05 -0.34 0.00 0.00 178.44 178.96 2ein h GLU 17 N 0.31 0.01 -0.08 1.25 4.11 -1.95 -1.17 114.58 117.07 2ein h GLU 17 Ca 0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.49 2ein h GLU 17 Cb 0.08 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2ein h GLU 17 CO -0.01 0.47 -0.02 -0.09 0.07 0.00 0.00 179.01 179.43 2ein h ARG 18 N 0.01 0.15 -0.75 1.06 2.43 -0.19 -0.91 114.38 116.19 2ein h ARG 18 Ca -0.00 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2ein h ARG 18 Cb 0.81 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 2ein h ARG 18 CO 0.06 0.47 0.39 0.93 -1.51 0.00 0.00 179.97 180.32 2ein h GLU 19 N -0.18 0.64 -0.68 0.20 5.08 -1.20 0.24 114.58 118.69 2ein h GLU 19 Ca 0.02 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2ein h GLU 19 Cb 0.42 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2ein h GLU 19 CO 0.01 0.43 0.15 0.28 -1.00 0.00 0.00 179.01 178.88 2ein h VAL 20 N 0.66 1.26 -0.49 3.13 2.07 -1.05 -0.78 116.25 121.05 2ein h VAL 20 Ca 0.37 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2ein h VAL 20 Cb 0.37 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2ein h VAL 20 CO -0.26 0.37 0.04 -0.03 0.02 0.00 0.00 177.57 177.72 2ein h MET 21 N 1.03 0.84 0.34 1.57 1.85 0.32 0.11 114.93 120.99 2ein h MET 21 Ca 0.21 -0.25 -0.02 0.00 -0.61 0.00 0.00 59.70 59.04 2ein h MET 21 Cb 0.39 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.34 2ein h MET 21 CO 0.01 0.86 -0.16 -0.07 -0.40 0.00 0.00 176.91 177.14 2ein h LEU 22 N 0.71 -0.39 -2.46 3.39 3.38 -0.45 -2.33 115.31 117.16 2ein h LEU 22 Ca 0.14 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2ein h LEU 22 Cb 0.45 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2ein h LEU 22 CO 0.02 -0.04 0.04 0.00 0.09 0.00 0.00 178.44 178.55 2ein h ALA 23 N -0.25 1.54 0.00 1.53 0.00 -1.12 0.70 119.26 121.66 2ein h ALA 23 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2ein h ALA 23 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ein h ALA 23 CO 0.08 -0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.03 2ein h ALA 24 N 1.95 0.85 0.01 0.00 0.00 -0.76 0.10 119.26 121.41 2ein h ALA 24 Ca 0.02 -0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2ein h ALA 24 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ein h ALA 24 CO -0.00 0.31 -0.87 -0.09 0.00 0.00 0.00 179.25 178.60 2ein h ARG 25 N 0.00 0.12 -0.15 0.00 2.43 -0.30 -3.20 114.38 113.28 2ein h ARG 25 Ca -0.00 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2ein h ARG 25 Cb 1.14 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2ein h ARG 25 CO 0.03 0.91 0.00 1.63 -1.51 0.00 0.00 179.97 181.03 2ein n LYS 26 N -3.61 1.54 -1.98 0.20 5.02 -1.09 -4.92 118.16 113.33 2ein n LYS 26 Ca -0.02 -0.83 -0.10 0.00 -2.02 0.00 0.00 58.31 55.34 2ein n LYS 26 Cb 0.81 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 34.47 2ein n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ein n GLY 27 N 1.01 0.24 3.78 0.72 0.00 -1.19 -5.02 105.19 104.72 2ein n GLY 27 Ca 0.14 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 2ein n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ein s GLN 28 N -4.13 2.74 -0.43 1.61 -0.21 0.01 -5.03 119.66 114.22 2ein s GLN 28 Ca 0.00 -1.18 0.09 0.00 0.02 0.00 0.00 55.36 54.29 2ein s GLN 28 Cb 0.00 -2.45 0.28 0.00 1.00 0.00 0.00 33.01 31.85 2ein s GLN 28 CO 0.00 0.36 0.64 -3.47 -2.12 0.00 0.00 175.29 170.71 2ein n ASP 29 N -1.12 1.19 -0.26 5.90 2.03 -1.26 -4.15 116.55 118.88 2ein n ASP 29 Ca -0.07 -2.96 -0.06 0.00 0.52 0.00 0.00 54.79 52.22 2ein n ASP 29 Cb 0.58 -0.63 0.08 0.00 -0.72 0.00 0.00 41.12 40.43 2ein n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2ein h PRO 30 N 3.67 1.13 -1.07 -0.67 0.13 -1.97 -3.21 132.00 130.02 2ein h PRO 30 Ca 0.10 -0.22 -0.58 0.00 -0.87 0.00 0.00 66.00 64.42 2ein h PRO 30 Cb 0.84 -0.17 -0.27 0.00 0.13 0.00 0.00 31.00 31.53 2ein h PRO 30 CO 0.55 0.94 0.75 0.66 -0.23 0.00 0.00 178.00 180.68 2ein n TYR 31 N -4.26 2.91 -3.91 1.56 4.02 -1.26 -4.95 117.16 111.27 2ein n TYR 31 Ca 0.06 -2.58 -0.26 0.00 -0.01 0.00 0.00 57.90 55.11 2ein n TYR 31 Cb 0.21 -1.25 -0.08 0.00 -0.02 0.00 0.00 39.34 38.20 2ein n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2ein n ASN 32 N -0.78 0.36 0.09 7.72 3.02 -1.21 -4.88 115.26 119.58 2ein n ASN 32 Ca 0.57 -0.99 -0.03 0.00 -0.03 0.00 0.00 54.58 54.10 2ein n ASN 32 Cb 0.87 -1.24 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 2ein n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2ein h ILE 33 N -1.09 1.22 -2.24 2.41 2.04 -1.92 -3.46 117.51 114.46 2ein h ILE 33 Ca -0.51 -2.77 -0.50 0.00 1.00 0.00 0.00 64.86 62.08 2ein h ILE 33 Cb 1.09 2.58 -0.04 0.00 -0.74 0.00 0.00 36.82 39.71 2ein h ILE 33 CO 0.58 0.69 -0.52 -0.76 0.00 0.00 0.00 178.15 178.15 2ein s LEU 34 N -6.50 3.88 -0.25 1.44 1.43 -1.26 -5.07 118.68 112.36 2ein s LEU 34 Ca 0.02 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.70 2ein s LEU 34 Cb 0.09 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 2ein s LEU 34 CO 0.79 -0.03 0.73 0.00 0.23 0.00 0.00 176.35 178.07 2ein s ALA 35 N -2.08 3.63 0.22 4.21 0.00 -1.26 -5.01 121.76 121.47 2ein s ALA 35 Ca 0.33 -0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.69 2ein s ALA 35 Cb -0.08 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.77 2ein s ALA 35 CO 0.25 -0.88 1.56 -1.25 0.00 0.00 0.00 175.76 175.44 2ein s PRO 36 N 2.68 4.20 0.05 0.00 0.04 -1.26 -4.99 135.00 135.72 2ein s PRO 36 Ca 0.31 2.42 -0.30 0.00 0.04 0.00 0.00 61.00 63.47 2ein s PRO 36 Cb -0.15 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 2ein s PRO 36 CO 0.08 -0.58 0.97 0.15 0.04 0.00 0.00 177.00 177.66 2ein s LYS 37 N 0.36 4.63 0.33 4.56 3.01 -1.26 -5.03 119.74 126.34 2ein s LYS 37 Ca 0.66 1.43 -0.28 0.00 -1.01 0.00 0.00 55.97 56.77 2ein s LYS 37 Cb -0.45 -3.42 -0.09 0.00 -1.01 0.00 0.00 37.83 32.86 2ein s LYS 37 CO 0.38 0.08 1.11 0.00 0.51 0.00 0.00 175.35 177.43 2ein s ALA 38 N 0.51 3.30 0.81 5.17 0.00 -1.26 -5.02 121.76 125.27 2ein s ALA 38 Ca 0.49 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2ein s ALA 38 Cb -0.22 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2ein s ALA 38 CO 0.29 -0.24 0.00 0.25 0.00 0.00 0.00 175.76 176.05 2ein n THR 39 N 0.74 0.00 1.43 0.00 -2.24 -1.26 -4.94 114.28 108.01 2ein n THR 39 Ca 0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 2ein n THR 39 Cb 0.46 -1.05 0.49 0.00 -2.10 0.00 0.00 70.33 68.13 2ein n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2ein n SER 40 N 0.00 1.34 -2.17 3.42 3.41 -1.25 -4.94 113.62 113.43 2ein n SER 40 Ca 0.00 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.15 2ein n SER 40 Cb 0.00 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 63.96 2ein n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ein n GLY 41 N 1.22 -0.00 3.94 5.00 0.00 -0.99 -4.94 105.19 109.42 2ein n GLY 41 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2ein n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ein s THR 42 N -2.62 2.33 0.22 2.61 -4.23 -1.06 -1.22 115.64 111.67 2ein s THR 42 Ca 0.00 -0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.07 2ein s THR 42 Cb 0.00 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 71.05 2ein s THR 42 CO 0.00 0.00 1.75 0.50 -0.54 0.00 0.00 174.62 176.33 2ein h LYS 43 N -0.50 0.45 0.04 3.99 3.64 -1.96 -2.47 116.57 119.77 2ein h LYS 43 Ca -0.43 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 58.65 2ein h LYS 43 Cb 1.30 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 33.04 2ein h LYS 43 CO 0.56 0.30 -1.10 0.93 -2.27 0.00 0.00 179.45 177.87 2ein h GLU 44 N 0.47 0.64 -2.36 1.90 3.07 -2.01 -3.38 114.58 112.91 2ein h GLU 44 Ca 0.35 -0.74 -0.63 0.00 -0.50 0.00 0.00 59.36 57.84 2ein h GLU 44 Cb 0.45 0.22 -0.40 0.00 -0.84 0.00 0.00 28.75 28.18 2ein h GLU 44 CO -0.33 1.32 -0.43 -3.47 -1.40 0.00 0.00 179.01 174.70 2ein n ASP 45 N -3.81 4.02 -4.61 1.42 4.64 -1.06 -5.09 116.55 112.05 2ein n ASP 45 Ca -0.11 -3.42 -0.29 0.00 -1.38 0.00 0.00 54.79 49.59 2ein n ASP 45 Cb 0.91 -0.75 0.17 0.00 -1.04 0.00 0.00 41.12 40.41 2ein n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2ein s PRO 46 N -2.42 0.50 -0.23 -0.67 0.04 -0.95 -2.35 135.00 128.92 2ein s PRO 46 Ca 0.38 0.31 -0.21 0.00 0.04 0.00 0.00 61.00 61.51 2ein s PRO 46 Cb 0.12 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 2ein s PRO 46 CO -0.01 -2.63 0.66 -0.80 0.04 0.00 0.00 177.00 174.26 2ein s ASN 47 N -3.80 6.67 -0.53 6.66 0.01 -0.32 -4.75 114.94 118.89 2ein s ASN 47 Ca 0.66 0.82 -0.26 0.00 -0.71 0.00 0.00 52.86 53.37 2ein s ASN 47 Cb -0.16 -2.36 0.03 0.00 0.41 0.00 0.00 41.25 39.18 2ein s ASN 47 CO 0.55 -0.35 1.03 -0.76 -1.51 0.00 0.00 177.10 176.06 2ein s LEU 48 N 2.30 3.85 -0.48 0.60 2.01 -1.26 -0.30 118.68 125.39 2ein s LEU 48 Ca 0.29 -0.01 -0.16 0.00 0.01 0.00 0.00 54.13 54.26 2ein s LEU 48 Cb -0.16 -3.10 0.07 0.00 0.01 0.00 0.00 46.19 43.01 2ein s LEU 48 CO 0.09 -1.25 0.46 -0.69 1.01 0.00 0.00 176.35 175.97 2ein s VAL 49 N 4.23 5.14 1.24 -1.59 1.01 0.30 -4.95 120.40 125.78 2ein s VAL 49 Ca 0.38 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 2ein s VAL 49 Cb -0.10 -4.18 0.30 0.00 0.00 0.00 0.00 36.38 32.40 2ein s VAL 49 CO 0.24 -0.64 0.87 -2.65 0.00 0.00 0.00 175.10 172.92 2ein n PRO 50 N 5.45 -2.94 -3.80 2.72 -0.02 -1.26 -1.36 135.00 133.80 2ein n PRO 50 Ca -0.11 -0.84 0.03 0.00 -2.02 0.00 0.00 63.50 60.56 2ein n PRO 50 Cb 0.44 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 2ein n PRO 50 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ein s SER 51 N -2.42 -0.02 -0.01 2.55 0.15 -1.25 -4.67 113.70 108.03 2ein s SER 51 Ca 0.67 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 57.21 2ein s SER 51 Cb -0.22 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 2ein s SER 51 CO 0.64 -0.22 0.84 2.30 1.20 0.00 0.00 173.24 178.00 2ein n ILE 52 N -0.71 0.24 -3.50 6.45 -5.35 -1.26 -2.10 119.36 113.14 2ein n ILE 52 Ca -0.02 -0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 62.16 2ein n ILE 52 Cb 0.61 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 39.11 2ein n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2ein n THR 53 N -0.17 0.00 1.85 7.28 -2.24 -1.26 -4.76 114.28 114.98 2ein n THR 53 Ca 0.01 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.61 2ein n THR 53 Cb 0.60 0.18 0.45 0.00 -2.10 0.00 0.00 70.33 69.45 2ein n THR 53 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ein n ASN 54 N -1.76 0.31 -3.45 3.42 6.94 -1.26 -4.71 115.26 114.76 2ein n ASN 54 Ca -0.00 -1.55 -0.11 0.00 -0.02 0.00 0.00 54.58 52.89 2ein n ASN 54 Cb 0.10 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.48 2ein n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2ein s LYS 55 N -1.95 1.12 -0.13 -3.83 -2.85 -1.26 0.82 119.74 111.67 2ein s LYS 55 Ca 0.25 -0.36 -0.24 0.00 -1.00 0.00 0.00 55.97 54.62 2ein s LYS 55 Cb 0.12 0.52 0.06 0.00 -2.06 0.00 0.00 37.83 36.47 2ein s LYS 55 CO 0.19 -0.48 0.59 0.50 0.10 0.00 0.00 175.35 176.26 2ein s ARG 56 N -3.34 0.84 0.06 1.78 3.52 -0.19 -4.81 118.95 116.80 2ein s ARG 56 Ca 0.01 0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 55.79 2ein s ARG 56 Cb -0.01 0.40 -0.05 0.00 -1.56 0.00 0.00 34.95 33.73 2ein s ARG 56 CO -0.10 -0.19 1.01 0.42 -0.81 0.00 0.00 175.30 175.62 2ein s ILE 57 N -0.49 4.55 -0.04 4.11 1.01 -1.26 0.12 121.20 129.20 2ein s ILE 57 Ca -0.06 1.96 0.02 0.00 0.00 0.00 0.00 60.65 62.57 2ein s ILE 57 Cb -0.03 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 2ein s ILE 57 CO 0.05 0.23 -0.06 -0.69 0.00 0.00 0.00 174.94 174.46 2ein s VAL 58 N 0.52 3.72 -0.23 2.92 1.01 0.10 -4.90 120.40 123.54 2ein s VAL 58 Ca 0.50 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2ein s VAL 58 Cb -0.23 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2ein s VAL 58 CO 0.29 0.53 -0.09 -0.83 0.00 0.00 0.00 175.10 175.00 2ein s GLY 59 N -1.03 1.57 -0.34 4.51 0.00 -1.26 -1.81 107.32 108.95 2ein s GLY 59 Ca 0.14 -1.38 -0.09 0.00 0.00 0.00 0.00 44.72 43.39 2ein s GLY 59 CO 0.04 0.46 0.16 0.00 0.00 0.00 0.00 173.10 173.75 2ein n ILE 61 N 4.94 4.46 -0.17 0.00 5.41 -1.26 -2.27 119.36 130.47 2ein n ILE 61 Ca -0.13 -4.83 -0.04 0.00 1.00 0.00 0.00 62.75 58.75 2ein n ILE 61 Cb 0.47 -2.39 -0.04 0.00 -0.71 0.00 0.00 39.64 36.96 2ein n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ein s GLU 63 N -4.84 1.86 0.38 0.00 2.02 -1.26 -5.05 118.70 111.80 2ein s GLU 63 Ca -0.05 -1.17 -0.28 0.00 0.02 0.00 0.00 54.97 53.50 2ein s GLU 63 Cb 0.04 -2.15 -0.11 0.00 0.10 0.00 0.00 34.13 32.02 2ein s GLU 63 CO 0.25 0.48 1.49 -2.00 0.02 0.00 0.00 175.26 175.50 2ein s GLU 64 N -2.22 4.10 -0.65 1.61 2.12 -1.26 -2.19 118.70 120.21 2ein s GLU 64 Ca 0.19 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.11 2ein s GLU 64 Cb -0.10 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.32 2ein s GLU 64 CO 0.11 -0.55 0.00 -0.25 -0.54 0.00 0.00 175.26 174.04 2ein n ASP 65 N 0.46 -3.38 -4.83 -1.70 10.43 -1.26 -5.02 116.55 111.25 2ein n ASP 65 Ca 0.01 0.11 -0.35 0.00 2.57 0.00 0.00 54.79 57.13 2ein n ASP 65 Cb 0.39 -1.88 -0.06 0.00 1.84 0.00 0.00 41.12 41.41 2ein n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2ein s ASN 66 N -2.86 6.95 -0.03 -2.24 -0.87 -0.93 -4.98 114.94 109.98 2ein s ASN 66 Ca 0.00 1.32 0.18 0.00 -1.57 0.00 0.00 52.86 52.79 2ein s ASN 66 Cb 0.00 -2.38 -0.21 0.00 -0.02 0.00 0.00 41.25 38.64 2ein s ASN 66 CO 0.00 -0.01 0.55 -1.54 -2.57 0.00 0.00 177.10 173.53 2ein n SER 67 N 0.49 0.46 -4.69 -1.22 3.41 -1.26 -4.87 113.62 105.93 2ein n SER 67 Ca -0.02 0.20 -0.39 0.00 -0.26 0.00 0.00 58.87 58.41 2ein n SER 67 Cb 0.52 0.75 -0.06 0.00 -0.26 0.00 0.00 64.21 65.15 2ein n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ein s THR 68 N -2.92 5.12 -0.16 6.66 2.01 -1.26 -5.06 115.64 120.04 2ein s THR 68 Ca -0.06 1.02 -0.06 0.00 0.31 0.00 0.00 61.69 62.89 2ein s THR 68 Cb 0.09 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2ein s THR 68 CO 0.84 0.23 0.06 -0.69 -0.69 0.00 0.00 174.62 174.37 2ein s VAL 69 N 1.20 4.77 -0.19 3.82 1.01 -1.26 -4.76 120.40 124.99 2ein s VAL 69 Ca 0.26 -0.05 -0.20 0.00 0.00 0.00 0.00 61.98 62.00 2ein s VAL 69 Cb -0.15 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2ein s VAL 69 CO 0.11 0.50 0.58 -0.63 0.00 0.00 0.00 175.10 175.66 2ein s ILE 70 N 0.01 5.07 0.02 2.22 -1.09 -0.96 -4.87 121.20 121.59 2ein s ILE 70 Ca 0.06 1.09 0.04 0.00 -2.23 0.00 0.00 60.65 59.61 2ein s ILE 70 Cb -0.12 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2ein s ILE 70 CO 0.01 0.16 -0.10 0.26 -1.23 0.00 0.00 174.94 174.04 2ein s TRP 71 N 1.66 2.79 -0.14 3.97 0.52 -1.26 0.65 118.94 127.12 2ein s TRP 71 Ca 0.27 -0.11 -0.30 0.00 0.02 0.00 0.00 56.10 55.98 2ein s TRP 71 Cb -0.16 -1.56 0.13 0.00 -1.15 0.00 0.00 33.47 30.73 2ein s TRP 71 CO 0.10 0.34 1.03 -0.59 0.02 0.00 0.00 176.95 177.85 2ein s PHE 72 N -0.98 -0.31 0.07 -1.98 -0.12 -0.75 -4.99 117.98 108.91 2ein s PHE 72 Ca 0.17 0.45 -0.30 0.00 -0.05 0.00 0.00 56.93 57.19 2ein s PHE 72 Cb -0.11 0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 42.71 2ein s PHE 72 CO 0.07 -0.34 1.02 -1.58 -0.05 0.00 0.00 175.22 174.34 2ein s TRP 73 N -1.62 3.66 -0.31 3.49 0.52 -1.26 0.01 118.94 123.43 2ein s TRP 73 Ca 0.02 1.66 -0.11 0.00 0.02 0.00 0.00 56.10 57.68 2ein s TRP 73 Cb -0.01 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.12 2ein s TRP 73 CO -0.02 -0.22 0.20 -1.17 0.02 0.00 0.00 176.95 175.77 2ein s LEU 74 N 0.53 4.24 0.20 2.99 2.96 0.32 -4.89 118.68 125.02 2ein s LEU 74 Ca 0.51 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 54.01 2ein s LEU 74 Cb -0.24 -2.09 -0.07 0.00 0.50 0.00 0.00 46.19 44.29 2ein s LEU 74 CO 0.30 -0.16 0.52 -1.00 -1.32 0.00 0.00 176.35 174.68 2ein s HIS 75 N 1.71 3.46 0.27 5.38 3.76 -1.26 -1.03 115.29 127.58 2ein s HIS 75 Ca 0.06 0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 55.52 2ein s HIS 75 Cb -0.17 -2.23 -0.10 0.00 1.11 0.00 0.00 32.58 31.19 2ein s HIS 75 CO 0.09 0.32 1.44 0.21 -0.85 0.00 0.00 174.74 175.95 2ein s LYS 76 N -2.67 4.26 0.00 1.40 2.20 0.24 -4.52 119.74 120.65 2ein s LYS 76 Ca 0.45 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2ein s LYS 76 Cb -0.12 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2ein s LYS 76 CO 0.21 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.20 2ein n GLY 77 N 1.87 0.26 3.77 5.54 0.00 -1.26 -5.05 105.19 110.31 2ein n GLY 77 Ca 0.05 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2ein n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ein n GLU 78 N 0.00 2.67 -1.84 1.61 4.07 -1.26 -4.74 120.64 121.14 2ein n GLU 78 Ca 0.00 0.94 -0.42 0.00 -0.06 0.00 0.00 57.16 57.62 2ein n GLU 78 Cb 0.00 -2.68 -0.03 0.00 -0.06 0.00 0.00 31.44 28.67 2ein n GLU 78 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2ein s ALA 79 N -0.85 3.83 0.26 4.31 0.00 -1.26 -4.92 121.76 123.13 2ein s ALA 79 Ca 0.56 1.48 0.06 0.00 0.00 0.00 0.00 51.96 54.05 2ein s ALA 79 Cb -0.48 -3.65 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 2ein s ALA 79 CO 0.60 -0.86 0.34 -0.65 0.00 0.00 0.00 175.76 175.19 2ein s GLN 80 N 0.90 3.29 0.08 0.00 -0.21 -0.71 -4.87 119.66 118.14 2ein s GLN 80 Ca 0.71 -0.86 0.06 0.00 0.02 0.00 0.00 55.36 55.29 2ein s GLN 80 Cb -0.46 -2.81 -0.04 0.00 1.00 0.00 0.00 33.01 30.70 2ein s GLN 80 CO 0.34 0.37 -0.09 1.03 -2.12 0.00 0.00 175.29 174.82 2ein s ARG 81 N -3.98 2.24 0.04 2.91 0.52 -1.26 -0.33 118.95 119.09 2ein s ARG 81 Ca 0.35 -0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 54.31 2ein s ARG 81 Cb -0.09 -2.35 -0.08 0.00 0.52 0.00 0.00 34.95 32.96 2ein s ARG 81 CO 0.28 0.53 1.65 0.00 0.02 0.00 0.00 175.30 177.79 2ein h PRO 83 N 8.67 0.00 0.00 0.00 0.11 -1.95 0.48 132.00 139.31 2ein h PRO 83 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ein h PRO 83 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ein h PRO 83 CO 0.93 0.00 -0.32 0.45 -0.21 0.00 0.00 178.00 178.85 2ein n SER 84 N -2.70 0.76 0.04 -2.05 2.88 -1.26 -4.74 113.62 106.55 2ein n SER 84 Ca -0.02 0.24 0.11 0.00 -1.33 0.00 0.00 58.87 57.88 2ein n SER 84 Cb 0.38 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 2ein n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ein n GLY 86 N 1.24 0.58 3.74 0.00 0.00 0.17 -4.94 105.19 105.98 2ein n GLY 86 Ca -0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2ein n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ein s THR 87 N -2.00 2.45 0.02 2.61 -4.23 -1.26 -4.26 115.64 108.98 2ein s THR 87 Ca 0.00 0.26 -0.16 0.00 -1.18 0.00 0.00 61.69 60.61 2ein s THR 87 Cb 0.00 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.79 2ein s THR 87 CO 0.00 -0.08 0.45 -1.00 -0.54 0.00 0.00 174.62 173.44 2ein s HIS 88 N -1.72 3.75 -0.04 3.99 0.09 -0.36 -0.69 115.29 120.31 2ein s HIS 88 Ca 0.77 1.06 0.01 0.00 -0.00 0.00 0.00 55.06 56.91 2ein s HIS 88 Cb -0.31 -2.34 0.02 0.00 -0.00 0.00 0.00 32.58 29.95 2ein s HIS 88 CO 0.39 0.63 -0.06 0.71 -0.00 0.00 0.00 174.74 176.41 2ein s TYR 89 N -1.09 0.78 -0.09 1.40 2.02 0.55 -1.17 117.35 119.76 2ein s TYR 89 Ca 0.25 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.76 2ein s TYR 89 Cb -0.17 -0.65 0.01 0.00 -0.40 0.00 0.00 41.96 40.75 2ein s TYR 89 CO 0.15 -0.17 -0.14 0.21 -1.57 0.00 0.00 175.55 174.03 2ein s LYS 90 N 0.71 2.00 0.30 -0.62 2.20 0.59 -1.73 119.74 123.19 2ein s LYS 90 Ca -0.10 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 2ein s LYS 90 Cb -0.13 -1.67 -0.10 0.00 -1.51 0.00 0.00 37.83 34.42 2ein s LYS 90 CO 0.01 -0.01 1.23 -1.17 -0.36 0.00 0.00 175.35 175.04 2ein s LEU 91 N 0.82 4.48 -0.47 5.43 2.96 -1.26 -0.54 118.68 130.09 2ein s LEU 91 Ca -0.11 2.51 0.07 0.00 -0.22 0.00 0.00 54.13 56.38 2ein s LEU 91 Cb -0.15 -3.64 0.23 0.00 0.50 0.00 0.00 46.19 43.13 2ein s LEU 91 CO 0.02 -0.38 0.55 1.33 -1.32 0.00 0.00 176.35 176.54 2ein n VAL 92 N 1.05 0.09 -0.64 1.68 0.24 -0.46 -4.78 118.33 115.51 2ein n VAL 92 Ca -0.00 -4.26 -0.16 0.00 -2.04 0.00 0.00 64.34 57.88 2ein n VAL 92 Cb 0.43 -1.96 0.01 0.00 -1.47 0.00 0.00 33.84 30.85 2ein n VAL 92 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2ein n PRO 93 N 1.53 0.00 0.00 7.34 -0.04 -1.26 -3.89 135.00 138.68 2ein n PRO 93 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2ein n PRO 93 Cb 0.48 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.22 2ein n PRO 93 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ein n HIS 94 N -2.37 0.00 0.00 0.54 -0.00 -0.89 -4.66 115.22 107.84 2ein n HIS 94 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2ein n HIS 94 Cb 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2ein n HIS 94 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2ein n GLN 95 N 0.00 0.00 0.00 1.57 -0.06 -1.26 -4.86 117.38 112.77 2ein n GLN 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2ein n GLN 95 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2ein n GLN 95 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2ein n LEU 96 N 0.00 0.00 -4.57 1.69 0.00 -1.26 -4.50 117.00 108.35 2ein n LEU 96 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 2ein n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 2ein n LEU 96 CO 0.00 0.00 1.07 0.00 0.00 0.00 0.00 177.39 178.46 2ein s ALA 97 N -1.00 2.97 0.00 1.96 0.00 -1.26 -5.14 121.76 119.30 2ein s ALA 97 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 2ein s ALA 97 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2ein s ALA 97 CO 0.00 -2.73 0.00 0.72 0.00 0.00 0.00 175.76 173.75