#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1noe n SER 1 N 0.00 -0.67 -3.94 0.00 3.41 -1.26 -5.13 113.62 106.04 1noe n SER 1 Ca 0.00 -1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 57.32 1noe n SER 1 Cb 0.00 -0.72 -0.10 0.00 -0.26 0.00 0.00 64.21 63.13 1noe n SER 1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1noe s ALA 2 N -3.59 -0.05 0.76 7.33 0.00 -1.26 -5.15 121.76 119.80 1noe s ALA 2 Ca 0.52 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 1noe s ALA 2 Cb -0.03 0.15 0.05 0.00 0.00 0.00 0.00 23.12 23.29 1noe s ALA 2 CO 0.38 -0.20 1.09 -1.25 0.00 0.00 0.00 175.76 175.77 1noe s PRO 3 N -1.64 2.39 0.35 0.00 0.04 -1.26 -4.95 135.00 129.94 1noe s PRO 3 Ca -0.14 1.13 0.04 0.00 0.04 0.00 0.00 61.00 62.08 1noe s PRO 3 Cb -0.08 -1.91 0.69 0.00 0.04 0.00 0.00 34.50 33.24 1noe s PRO 3 CO -0.01 -1.54 1.96 0.00 0.04 0.00 0.00 177.00 177.45 1noe h ALA 4 N -1.03 1.65 0.00 8.56 0.00 -2.01 -3.25 119.26 123.17 1noe h ALA 4 Ca -0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1noe h ALA 4 Cb 1.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1noe h ALA 4 CO 0.52 0.25 -0.00 -2.95 0.00 0.00 0.00 179.25 177.07 1noe h ASN 5 N 0.82 -0.00 -0.25 0.00 -1.07 -1.93 -3.48 115.58 109.67 1noe h ASN 5 Ca 0.31 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.63 1noe h ASN 5 Cb 0.19 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.42 1noe h ASN 5 CO -0.10 0.01 -0.05 0.00 0.07 0.00 0.00 177.43 177.36 1noe n ALA 6 N -2.02 -0.04 -2.23 4.14 0.00 -1.23 -3.33 120.51 115.81 1noe n ALA 6 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1noe n ALA 6 Cb 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1noe n ALA 6 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1noe n VAL 7 N -1.47-10.87 -1.59 0.00 0.31 -1.01 -4.70 118.33 99.01 1noe n VAL 7 Ca -0.03 2.61 -0.45 0.00 -0.01 0.00 0.00 64.34 66.46 1noe n VAL 7 Cb 0.37 -5.06 -0.04 0.00 -0.91 0.00 0.00 33.84 28.20 1noe n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1noe n ALA 8 N 1.89 1.46 -0.25 3.52 0.00 -1.21 -4.84 120.51 121.09 1noe n ALA 8 Ca 0.00 -0.06 0.19 0.00 0.00 0.00 0.00 53.44 53.56 1noe n ALA 8 Cb 0.00 -2.74 0.50 0.00 0.00 0.00 0.00 19.45 17.21 1noe n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1noe h ALA 9 N 12.97 2.18 -0.41 0.00 0.00 -1.92 0.11 119.26 132.20 1noe h ALA 9 Ca -0.40 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1noe h ALA 9 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1noe h ALA 9 CO 0.97 -0.47 0.00 -3.47 0.00 0.00 0.00 179.25 176.28 1noe n ASP 10 N -4.52 4.01 -4.75 0.00 2.03 -1.26 -3.77 116.55 108.29 1noe n ASP 10 Ca 0.19 -2.54 -0.41 0.00 0.52 0.00 0.00 54.79 52.55 1noe n ASP 10 Cb 0.69 -0.58 -0.02 0.00 -0.72 0.00 0.00 41.12 40.48 1noe n ASP 10 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1noe s ASP 11 N -0.60 6.75 0.38 1.67 -1.08 0.03 -4.83 116.67 118.98 1noe s ASP 11 Ca 0.37 2.58 0.20 0.00 -0.52 0.00 0.00 52.55 55.18 1noe s ASP 11 Cb 0.27 -2.62 1.24 0.00 -1.46 0.00 0.00 42.92 40.34 1noe s ASP 11 CO 0.13 -0.62 1.64 0.00 0.52 0.00 0.00 175.17 176.84 1noe h ALA 12 N 4.91 2.23 -0.13 3.66 0.00 -1.90 0.48 119.26 128.50 1noe h ALA 12 Ca -0.46 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1noe h ALA 12 Cb 1.22 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1noe h ALA 12 CO 0.76 -0.87 -0.16 1.15 0.00 0.00 0.00 179.25 180.13 1noe h THR 13 N 0.19 1.36 0.00 0.00 2.02 -1.94 -0.55 112.91 114.00 1noe h THR 13 Ca 0.78 -1.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1noe h THR 13 Cb 2.03 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 70.39 1noe h THR 13 CO -0.57 0.40 -0.20 0.00 0.37 0.00 0.00 175.52 175.51 1noe h ALA 14 N 0.58 1.67 0.58 6.16 0.00 -0.46 0.11 119.26 127.89 1noe h ALA 14 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1noe h ALA 14 Cb 0.71 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1noe h ALA 14 CO 0.04 0.25 -0.28 0.82 0.00 0.00 0.00 179.25 180.08 1noe h ILE 15 N 0.00 0.00 -0.50 0.00 2.04 -0.61 0.44 117.51 118.88 1noe h ILE 15 Ca -0.00 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.71 1noe h ILE 15 Cb 0.36 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1noe h ILE 15 CO 0.03 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.27 1noe h ALA 16 N -1.41 0.56 0.00 1.87 0.00 -0.75 0.42 119.26 119.95 1noe h ALA 16 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1noe h ALA 16 Cb 0.60 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1noe h ALA 16 CO 0.13 -0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.35 1noe n LEU 17 N -5.12 0.00 -3.75 0.00 7.99 0.34 -4.93 117.00 111.54 1noe n LEU 17 Ca 0.06 0.22 -0.30 0.00 -0.01 0.00 0.00 56.01 55.97 1noe n LEU 17 Cb 0.25 -0.22 0.03 0.00 -0.11 0.00 0.00 43.42 43.37 1noe n LEU 17 CO 0.20 -0.04 -0.11 0.29 -1.51 0.00 0.00 177.39 176.22 1noe n LYS 18 N -1.22 -1.83 -1.70 3.23 5.02 0.14 0.15 118.16 121.95 1noe n LYS 18 Ca 0.14 0.45 -0.44 0.00 -2.02 0.00 0.00 58.31 56.43 1noe n LYS 18 Cb 0.17 -4.22 -0.02 0.00 -0.02 0.00 0.00 35.03 30.93 1noe n LYS 18 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1noe n TYR 19 N -4.26 2.44 -4.04 2.13 4.19 0.06 -3.66 117.16 114.02 1noe n TYR 19 Ca -0.15 0.34 -0.24 0.00 3.31 0.00 0.00 57.90 61.16 1noe n TYR 19 Cb 0.61 -2.52 -0.17 0.00 0.49 0.00 0.00 39.34 37.75 1noe n TYR 19 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1noe s ASN 20 N 0.45 1.72 0.33 2.98 2.47 0.06 -4.96 114.94 117.98 1noe s ASN 20 Ca 0.68 -0.21 0.05 0.00 0.42 0.00 0.00 52.86 53.79 1noe s ASN 20 Cb -0.59 -0.66 0.68 0.00 -1.45 0.00 0.00 41.25 39.22 1noe s ASN 20 CO 0.48 -0.10 1.90 -0.61 -3.72 0.00 0.00 177.10 175.05 1noe h GLN 21 N 7.80 0.82 -4.30 0.43 4.15 -1.92 -0.08 115.11 122.02 1noe h GLN 21 Ca -0.29 -0.05 -0.74 0.00 0.77 0.00 0.00 58.65 58.34 1noe h GLN 21 Cb 1.14 -0.19 -0.23 0.00 0.21 0.00 0.00 27.48 28.41 1noe h GLN 21 CO 0.40 0.55 -0.34 0.34 -1.93 0.00 0.00 178.83 177.85 1noe s ASP 22 N -5.95 6.08 0.48 -0.69 -1.08 -1.26 -2.60 116.67 111.66 1noe s ASP 22 Ca -0.11 -1.40 0.18 0.00 -0.52 0.00 0.00 52.55 50.71 1noe s ASP 22 Cb 0.21 -2.16 1.19 0.00 -1.46 0.00 0.00 42.92 40.69 1noe s ASP 22 CO 0.79 -0.65 2.05 0.00 0.52 0.00 0.00 175.17 177.88 1noe h ALA 23 N 8.72 1.65 -0.59 3.66 0.00 -0.97 0.14 119.26 131.88 1noe h ALA 23 Ca -0.28 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1noe h ALA 23 Cb 1.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1noe h ALA 23 CO 0.88 0.16 0.00 1.79 0.00 0.00 0.00 179.25 182.08 1noe h THR 24 N 0.00 1.27 0.00 0.00 1.35 -1.93 -2.94 112.91 110.65 1noe h THR 24 Ca -0.00 -1.14 -0.10 0.00 -0.55 0.00 0.00 66.41 64.61 1noe h THR 24 Cb 0.25 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 67.48 1noe h THR 24 CO 0.02 0.41 -0.58 0.11 -0.25 0.00 0.00 175.52 175.23 1noe h LYS 25 N 0.94 0.00 -6.19 4.72 1.57 -1.89 -3.48 116.57 112.25 1noe h LYS 25 Ca 0.17 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.33 1noe h LYS 25 Cb 0.55 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.01 1noe h LYS 25 CO 0.03 0.43 -0.61 0.45 -0.57 0.00 0.00 179.45 179.18 1noe n SER 26 N -3.17 -1.65 0.16 0.86 2.88 0.47 -4.85 113.62 108.32 1noe n SER 26 Ca 0.01 0.89 0.09 0.00 -1.33 0.00 0.00 58.87 58.52 1noe n SER 26 Cb 0.73 -1.02 0.48 0.00 -0.75 0.00 0.00 64.21 63.65 1noe n SER 26 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1noe n GLU 27 N 0.89 0.11 -0.32 -1.46 0.00 -1.26 -3.59 120.64 115.02 1noe n GLU 27 Ca 0.12 0.60 0.08 0.00 0.00 0.00 0.00 57.16 57.96 1noe n GLU 27 Cb 0.39 -2.00 0.17 0.00 0.00 0.00 0.00 31.44 30.00 1noe n GLU 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1noe n ARG 28 N -2.14 -0.08 -0.31 3.44 1.85 -1.26 -0.24 116.66 117.91 1noe n ARG 28 Ca -0.01 1.40 0.07 0.00 -1.00 0.00 0.00 57.85 58.30 1noe n ARG 28 Cb 0.15 -2.13 0.17 0.00 -1.05 0.00 0.00 32.46 29.60 1noe n ARG 28 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1noe h VAL 29 N 0.00 0.13 0.13 8.89 2.07 -1.87 0.41 116.25 126.02 1noe h VAL 29 Ca 0.47 -0.01 -0.25 0.00 0.82 0.00 0.00 66.70 67.73 1noe h VAL 29 Cb 0.80 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1noe h VAL 29 CO -0.91 0.00 -1.20 0.00 0.02 0.00 0.00 177.57 175.49 1noe h ALA 30 N 1.88 0.05 0.00 1.67 0.00 -0.91 -3.36 119.26 118.59 1noe h ALA 30 Ca 0.47 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1noe h ALA 30 Cb 0.81 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1noe h ALA 30 CO -0.87 0.65 -0.04 0.00 0.00 0.00 0.00 179.25 178.99 1noe h ALA 31 N 0.01 1.08 -5.22 0.00 0.00 0.03 -3.47 119.26 111.70 1noe h ALA 31 Ca -0.24 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1noe h ALA 31 Cb 1.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1noe h ALA 31 CO 0.11 0.05 -0.23 0.00 0.00 0.00 0.00 179.25 179.18 1noe n ALA 32 N -2.15 -1.37 -1.19 0.00 0.00 0.13 -4.89 120.51 111.04 1noe n ALA 32 Ca -0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 1noe n ALA 32 Cb 0.21 -0.16 0.11 0.00 0.00 0.00 0.00 19.45 19.62 1noe n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1noe s ARG 33 N -2.49 1.85 0.10 0.00 3.00 -1.26 -4.96 118.95 115.20 1noe s ARG 33 Ca 0.00 1.70 -0.02 0.00 0.00 0.00 0.00 55.73 57.42 1noe s ARG 33 Cb -0.00 -1.81 0.03 0.00 0.00 0.00 0.00 34.95 33.17 1noe s ARG 33 CO 0.18 -2.04 0.09 -0.35 0.00 0.00 0.00 175.30 173.19 1noe n PRO 34 N -3.13 -1.12 0.00 3.54 -0.04 -1.26 -4.44 135.00 128.55 1noe n PRO 34 Ca 0.13 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1noe n PRO 34 Cb 0.51 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1noe n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1noe n GLY 35 N 2.02 1.95 3.15 0.55 0.00 -1.26 -4.81 105.19 106.78 1noe n GLY 35 Ca 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1noe n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1noe s LEU 36 N 0.00 1.31 0.53 0.99 2.96 -1.26 -5.08 118.68 118.13 1noe s LEU 36 Ca 0.00 -0.07 -0.20 0.00 -0.22 0.00 0.00 54.13 53.64 1noe s LEU 36 Cb 0.00 0.86 -0.06 0.00 0.50 0.00 0.00 46.19 47.49 1noe s LEU 36 CO 0.00 -0.37 1.13 -2.16 -1.32 0.00 0.00 176.35 173.63 1noe s PRO 37 N -1.25 3.41 0.29 0.98 0.04 -1.26 -4.76 135.00 132.45 1noe s PRO 37 Ca -0.13 1.62 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1noe s PRO 37 Cb -0.06 -2.05 0.69 0.00 0.04 0.00 0.00 34.50 33.12 1noe s PRO 37 CO 0.02 -0.80 1.73 -1.00 0.04 0.00 0.00 177.00 176.99 1noe h PRO 38 N 1.30 0.54 -1.07 0.56 0.13 -1.85 0.83 132.00 132.43 1noe h PRO 38 Ca -0.50 -0.03 0.29 0.00 -0.87 0.00 0.00 66.00 64.89 1noe h PRO 38 Cb 1.26 -0.12 -0.07 0.00 0.13 0.00 0.00 31.00 32.19 1noe h PRO 38 CO 0.57 0.35 0.72 1.05 -0.23 0.00 0.00 178.00 180.47 1noe h GLU 39 N 0.55 0.22 -1.36 0.86 4.11 -1.91 0.16 114.58 117.22 1noe h GLU 39 Ca 0.55 -0.01 -0.63 0.00 0.07 0.00 0.00 59.36 59.33 1noe h GLU 39 Cb 0.93 -0.05 -0.37 0.00 0.50 0.00 0.00 28.75 29.76 1noe h GLU 39 CO -0.45 0.15 -0.15 0.39 0.07 0.00 0.00 179.01 179.02 1noe n GLU 40 N -4.46 3.23 -3.91 1.06 -0.58 0.28 -4.90 120.64 111.37 1noe n GLU 40 Ca 0.25 -4.05 -0.35 0.00 -0.42 0.00 0.00 57.16 52.59 1noe n GLU 40 Cb 1.00 -2.27 -0.14 0.00 -0.57 0.00 0.00 31.44 29.47 1noe n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1noe s GLN 41 N -3.71 3.19 0.16 3.49 -0.21 0.54 -4.74 119.66 118.38 1noe s GLN 41 Ca 0.52 -0.75 -0.15 0.00 0.02 0.00 0.00 55.36 55.00 1noe s GLN 41 Cb 0.43 -3.03 0.02 0.00 1.00 0.00 0.00 33.01 31.42 1noe s GLN 41 CO -0.16 -0.28 0.41 -3.38 -2.12 0.00 0.00 175.29 169.76 1noe s HIS 42 N 1.44 -0.01 0.30 0.91 -3.43 -1.26 -4.83 115.29 108.39 1noe s HIS 42 Ca 0.04 -0.33 0.05 0.00 -0.80 0.00 0.00 55.06 54.02 1noe s HIS 42 Cb -0.15 0.23 0.76 0.00 -1.43 0.00 0.00 32.58 31.99 1noe s HIS 42 CO -0.03 -0.78 1.71 0.00 -2.00 0.00 0.00 174.74 173.63 1noe h ALA 44 N 1.70 2.88 -0.24 0.00 0.00 -1.29 0.45 119.26 122.77 1noe h ALA 44 Ca 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1noe h ALA 44 Cb 1.08 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1noe h ALA 44 CO -0.50 -1.18 0.00 0.09 0.00 0.00 0.00 179.25 177.67 1noe n ASN 45 N -4.27 2.77 -4.84 0.00 3.02 0.60 -5.00 115.26 107.54 1noe n ASN 45 Ca 0.21 -1.89 -0.37 0.00 -0.03 0.00 0.00 54.58 52.51 1noe n ASN 45 Cb 1.05 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 40.01 1noe n ASN 45 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1noe h GLN 47 N 4.17 0.81 -0.87 0.00 -0.00 -0.82 -3.05 115.11 115.34 1noe h GLN 47 Ca -0.50 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.08 1noe h GLN 47 Cb 1.21 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 28.49 1noe h GLN 47 CO 0.64 0.54 0.03 1.19 0.00 0.00 0.00 178.83 181.22 1noe n PHE 48 N -4.69 0.76 -2.44 3.99 3.72 -1.26 -4.94 117.46 112.60 1noe n PHE 48 Ca 0.09 -0.33 -0.36 0.00 -0.05 0.00 0.00 57.45 56.81 1noe n PHE 48 Cb 0.15 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.39 1noe n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1noe s MET 49 N -1.56 3.82 -0.09 -1.08 1.75 -1.15 -0.12 119.30 120.86 1noe s MET 49 Ca 0.19 1.53 -0.02 0.00 -1.25 0.00 0.00 55.69 56.15 1noe s MET 49 Cb 0.15 -2.27 0.03 0.00 2.84 0.00 0.00 34.83 35.58 1noe s MET 49 CO 0.05 -0.44 0.00 -0.65 -0.65 0.00 0.00 175.02 173.33 1noe s GLN 50 N -2.92 0.65 0.13 4.11 -0.21 -0.11 -4.63 119.66 116.68 1noe s GLN 50 Ca 0.65 0.01 -0.01 0.00 0.02 0.00 0.00 55.36 56.02 1noe s GLN 50 Cb -0.22 -1.19 -0.09 0.00 1.00 0.00 0.00 33.01 32.51 1noe s GLN 50 CO 0.26 -0.36 1.31 0.00 -2.12 0.00 0.00 175.29 174.38 1noe h ALA 51 N 8.31 0.38 0.00 6.09 0.00 -1.97 0.21 119.26 132.28 1noe h ALA 51 Ca -0.20 -0.75 -0.67 0.00 0.00 0.00 0.00 54.91 53.29 1noe h ALA 51 Cb 1.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1noe h ALA 51 CO 0.28 0.90 3.21 -3.47 0.00 0.00 0.00 179.25 180.17 1noe n ASP 52 N -3.66 5.14 -4.59 0.00 2.03 -1.26 -4.66 116.55 109.55 1noe n ASP 52 Ca -0.05 -2.71 -0.34 0.00 0.52 0.00 0.00 54.79 52.20 1noe n ASP 52 Cb 0.86 -1.53 -0.11 0.00 -0.72 0.00 0.00 41.12 39.62 1noe n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1noe s ALA 53 N 3.14 3.03 -0.91 -1.67 0.00 -1.26 -4.97 121.76 119.12 1noe s ALA 53 Ca 0.54 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 1noe s ALA 53 Cb 0.15 -1.30 -0.13 0.00 0.00 0.00 0.00 23.12 21.84 1noe s ALA 53 CO -0.05 0.54 2.21 0.00 0.00 0.00 0.00 175.76 178.46 1noe s ALA 54 N -0.72 0.94 0.00 0.00 0.00 -1.26 -0.83 121.76 119.89 1noe s ALA 54 Ca 0.11 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1noe s ALA 54 Cb -0.11 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.40 1noe s ALA 54 CO 0.02 -5.86 0.00 0.41 0.00 0.00 0.00 175.76 170.33 1noe n GLY 55 N 6.59 1.86 3.62 0.00 0.00 -1.26 -4.97 105.19 111.04 1noe n GLY 55 Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 1noe n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1noe n ALA 56 N -1.05 0.33 -4.23 4.61 0.00 -0.01 -5.00 120.51 115.16 1noe n ALA 56 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1noe n ALA 56 Cb 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.27 1noe n ALA 56 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1noe n THR 57 N -0.57 0.00 0.10 0.00 5.66 0.02 -5.02 114.28 114.47 1noe n THR 57 Ca 0.09 -2.15 -0.13 0.00 -3.05 0.00 0.00 64.05 58.82 1noe n THR 57 Cb 0.40 0.94 -0.08 0.00 -1.55 0.00 0.00 70.33 70.04 1noe n THR 57 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1noe h ASP 58 N 1.66 -0.21 -0.78 1.09 3.58 -2.02 -2.51 116.42 117.22 1noe h ASP 58 Ca -0.24 -0.23 0.12 0.00 0.42 0.00 0.00 57.03 57.10 1noe h ASP 58 Cb 1.07 0.06 -0.08 0.00 1.72 0.00 0.00 39.33 42.10 1noe h ASP 58 CO 0.37 0.13 0.39 -0.33 -2.88 0.00 0.00 179.24 176.92 1noe h GLU 59 N -0.58 0.58 -4.57 0.28 5.08 -1.98 -3.40 114.58 109.98 1noe h GLU 59 Ca -0.03 -0.04 -0.68 0.00 -1.00 0.00 0.00 59.36 57.61 1noe h GLU 59 Cb 0.43 -0.13 -0.36 0.00 0.50 0.00 0.00 28.75 29.19 1noe h GLU 59 CO 0.04 0.39 -0.61 -1.58 -1.00 0.00 0.00 179.01 176.25 1noe s TRP 60 N -6.01 3.59 0.52 4.33 0.52 -0.95 -0.49 118.94 120.45 1noe s TRP 60 Ca -0.12 -2.50 0.06 0.00 0.02 0.00 0.00 56.10 53.56 1noe s TRP 60 Cb 0.20 -3.02 0.03 0.00 -1.15 0.00 0.00 33.47 29.53 1noe s TRP 60 CO 0.77 -0.95 0.44 0.15 0.02 0.00 0.00 176.95 177.38 1noe s LYS 61 N 1.09 2.31 0.59 4.98 3.01 -0.47 -0.80 119.74 130.46 1noe s LYS 61 Ca 0.07 -1.87 0.08 0.00 -1.01 0.00 0.00 55.97 53.25 1noe s LYS 61 Cb -0.21 -2.22 0.08 0.00 -1.01 0.00 0.00 37.83 34.47 1noe s LYS 61 CO -0.05 -0.54 0.69 0.20 0.51 0.00 0.00 175.35 176.16 1noe s GLY 62 N -4.28 1.92 0.14 -3.33 0.00 0.72 -0.04 107.32 102.45 1noe s GLY 62 Ca 0.41 -1.87 0.03 0.00 0.00 0.00 0.00 44.72 43.28 1noe s GLY 62 CO 0.25 -1.80 -0.06 0.00 0.00 0.00 0.00 173.10 171.49 1noe h GLN 64 N 2.83 1.28 0.00 0.00 4.15 -0.79 -3.32 115.11 119.25 1noe h GLN 64 Ca -0.36 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1noe h GLN 64 Cb 1.18 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 28.59 1noe h GLN 64 CO 0.64 0.85 -0.01 1.25 -1.93 0.00 0.00 178.83 179.63 1noe h LEU 65 N 1.32 0.00 -8.67 -2.39 6.46 -1.97 -3.46 115.31 106.59 1noe h LEU 65 Ca 0.38 0.00 -0.53 0.00 -0.12 0.00 0.00 57.88 57.61 1noe h LEU 65 Cb -0.08 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1noe h LEU 65 CO -0.10 0.21 1.57 0.49 -0.62 0.00 0.00 178.44 179.99 1noe n PHE 66 N -3.15 1.56 -3.11 1.25 3.01 -1.25 -4.91 117.46 110.86 1noe n PHE 66 Ca -0.00 0.08 -0.39 0.00 1.01 0.00 0.00 57.45 58.15 1noe n PHE 66 Cb 0.00 -2.63 -0.05 0.00 -0.01 0.00 0.00 39.48 36.79 1noe n PHE 66 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1noe s PRO 67 N 7.46 4.39 -1.32 -1.08 0.04 -1.26 -4.11 135.00 139.13 1noe s PRO 67 Ca 1.03 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1noe s PRO 67 Cb -0.39 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1noe s PRO 67 CO 0.34 0.30 0.00 0.41 0.04 0.00 0.00 177.00 178.09 1noe n GLY 68 N 2.51 -0.41 3.22 0.56 0.00 -1.26 -4.94 105.19 104.87 1noe n GLY 68 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1noe n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1noe s LYS 69 N -4.96 1.29 -0.04 1.61 1.02 -1.26 -4.97 119.74 112.43 1noe s LYS 69 Ca 0.00 -1.68 0.04 0.00 0.02 0.00 0.00 55.97 54.35 1noe s LYS 69 Cb 0.00 0.28 -0.00 0.00 -0.52 0.00 0.00 37.83 37.59 1noe s LYS 69 CO 0.00 -0.43 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.34 1noe s LEU 70 N -3.19 1.88 -0.09 3.17 1.43 -1.26 -4.71 118.68 115.91 1noe s LEU 70 Ca 0.39 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 53.11 1noe s LEU 70 Cb 0.06 -0.85 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1noe s LEU 70 CO 0.14 0.13 0.17 0.27 0.23 0.00 0.00 176.35 177.30 1noe s ILE 71 N 0.07 5.45 0.20 -0.59 -5.25 0.94 -2.40 121.20 119.62 1noe s ILE 71 Ca -0.03 0.23 -0.31 0.00 -0.99 0.00 0.00 60.65 59.54 1noe s ILE 71 Cb -0.10 -3.45 -0.10 0.00 2.95 0.00 0.00 42.46 41.75 1noe s ILE 71 CO 0.02 0.57 1.53 0.21 -1.79 0.00 0.00 174.94 175.48 1noe s ASN 72 N -1.16 6.59 0.43 4.36 3.84 -1.26 -1.36 114.94 126.38 1noe s ASN 72 Ca 0.18 2.66 0.16 0.00 0.21 0.00 0.00 52.86 56.07 1noe s ASN 72 Cb -0.13 -2.61 1.07 0.00 -0.55 0.00 0.00 41.25 39.04 1noe s ASN 72 CO 0.07 -0.79 1.91 -0.37 -2.79 0.00 0.00 177.10 175.13 1noe h VAL 73 N 3.81 0.78 -0.68 -5.21 -1.51 -1.06 0.22 116.25 112.60 1noe h VAL 73 Ca -0.44 -0.14 -0.27 0.00 -1.23 0.00 0.00 66.70 64.63 1noe h VAL 73 Cb 1.21 0.34 -0.16 0.00 -2.13 0.00 0.00 31.29 30.55 1noe h VAL 73 CO 0.86 0.07 0.34 0.59 -1.23 0.00 0.00 177.57 178.20 1noe n ASN 74 N -4.48 4.05 -4.11 4.19 3.02 -1.26 -0.88 115.26 115.79 1noe n ASN 74 Ca 0.15 -3.10 -0.14 0.00 -0.03 0.00 0.00 54.58 51.46 1noe n ASN 74 Cb 0.55 -0.73 0.05 0.00 -0.61 0.00 0.00 39.78 39.04 1noe n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1noe n GLY 75 N -0.35 1.96 3.33 7.41 0.00 0.77 -0.51 105.19 117.80 1noe n GLY 75 Ca 0.39 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1noe n GLY 75 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1noe s TRP 76 N -1.59 -0.27 0.04 1.61 -0.00 -0.04 -0.65 118.94 118.04 1noe s TRP 76 Ca 0.44 0.09 -0.03 0.00 -0.00 0.00 0.00 56.10 56.60 1noe s TRP 76 Cb -0.03 0.28 -0.02 0.00 -0.00 0.00 0.00 33.47 33.69 1noe s TRP 76 CO 0.28 -0.67 0.03 -1.54 -0.00 0.00 0.00 176.95 175.05 1noe s SER 77 N -2.46 0.29 0.21 5.86 1.04 -1.26 -0.76 113.70 116.62 1noe s SER 77 Ca -0.01 -0.68 -0.31 0.00 0.48 0.00 0.00 55.95 55.43 1noe s SER 77 Cb 0.01 0.19 -0.11 0.00 0.10 0.00 0.00 66.02 66.21 1noe s SER 77 CO -0.08 -0.50 1.59 0.00 0.98 0.00 0.00 173.24 175.23 1noe s ALA 78 N -2.84 3.79 0.00 5.32 0.00 0.12 -0.70 121.76 127.45 1noe s ALA 78 Ca -0.03 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1noe s ALA 78 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1noe s ALA 78 CO -0.06 -0.84 0.00 0.43 0.00 0.00 0.00 175.76 175.29 1noe n SER 79 N 3.40 -2.78 -4.56 0.00 7.64 -1.26 -4.81 113.62 111.24 1noe n SER 79 Ca 0.12 0.00 -0.52 0.00 1.01 0.00 0.00 58.87 59.49 1noe n SER 79 Cb 0.38 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 1noe n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1noe n TRP 80 N -2.93 1.20 -4.17 1.43 -0.00 0.12 -5.00 117.44 108.10 1noe n TRP 80 Ca 0.00 0.73 -0.22 0.00 -0.00 0.00 0.00 57.50 58.02 1noe n TRP 80 Cb 0.00 -2.26 -0.17 0.00 -0.00 0.00 0.00 31.31 28.89 1noe n TRP 80 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1noe s THR 81 N 0.07 0.67 0.30 5.87 2.01 -1.26 -4.99 115.64 118.31 1noe s THR 81 Ca 0.80 -0.17 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 1noe s THR 81 Cb -0.96 -0.69 -0.14 0.00 0.01 0.00 0.00 72.50 70.72 1noe s THR 81 CO 0.51 0.27 1.12 -0.11 -0.69 0.00 0.00 174.62 175.72 1noe n LEU 82 N 4.23 2.38 -4.47 4.42 0.00 -1.26 -0.31 117.00 121.98 1noe n LEU 82 Ca -0.21 1.19 -0.11 0.00 0.00 0.00 0.00 56.01 56.87 1noe n LEU 82 Cb 0.51 -1.35 -0.10 0.00 0.00 0.00 0.00 43.42 42.48 1noe n LEU 82 CO 0.21 -1.07 1.07 1.17 0.00 0.00 0.00 177.39 178.77 1noe n LYS 83 N 0.77 0.10 -2.40 1.96 4.81 0.65 -4.12 118.16 119.93 1noe n LYS 83 Ca 0.08 -1.32 -0.43 0.00 -0.87 0.00 0.00 58.31 55.78 1noe n LYS 83 Cb 0.33 -3.35 0.00 0.00 0.02 0.00 0.00 35.03 32.03 1noe n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1noe n ALA 84 N 16.92 4.78 0.00 3.14 0.00 -1.26 -4.91 120.51 139.17 1noe n ALA 84 Ca 0.34 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.64 1noe n ALA 84 Cb 0.47 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.72 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91