#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 -2.10 -3.83 0.00 2.88 -1.26 -5.11 113.62 104.21 1noe n SER 1 Ca 0.00 -0.81 -0.12 0.00 -1.33 0.00 0.00 58.87 56.61 1noe n SER 1 Cb 0.00 -0.61 -0.10 0.00 -0.75 0.00 0.00 64.21 62.75 1noe n SER 1 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1noe s ALA 2 N -2.77 -0.48 0.76 -1.46 0.00 -1.26 -5.14 121.76 111.41 1noe s ALA 2 Ca 0.43 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 1noe s ALA 2 Cb -0.05 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.18 1noe s ALA 2 CO 0.33 -0.22 1.08 -1.25 0.00 0.00 0.00 175.76 175.71 1noe s PRO 3 N -1.24 2.40 0.34 0.00 0.04 -1.26 -4.96 135.00 130.32 1noe s PRO 3 Ca -0.13 0.93 0.02 0.00 0.04 0.00 0.00 61.00 61.86 1noe s PRO 3 Cb -0.06 -1.93 0.60 0.00 0.04 0.00 0.00 34.50 33.14 1noe s PRO 3 CO 0.02 -1.47 1.98 0.00 0.04 0.00 0.00 177.00 177.57 1noe h ALA 4 N -0.99 1.49 -0.55 8.56 0.00 -2.02 -3.29 119.26 122.47 1noe h ALA 4 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1noe h ALA 4 Cb 1.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1noe h ALA 4 CO 0.56 0.44 0.00 0.27 0.00 0.00 0.00 179.25 180.52 1noe n ASN 5 N -4.41 0.00 -0.74 0.00 6.94 -1.26 -4.92 115.26 110.86 1noe n ASN 5 Ca 0.06 0.49 -0.08 0.00 -0.02 0.00 0.00 54.58 55.04 1noe n ASN 5 Cb 0.07 -0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.05 1noe n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1noe n ALA 6 N -1.73 -0.12 -1.96 -2.53 0.00 -1.24 -3.50 120.51 109.44 1noe n ALA 6 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1noe n ALA 6 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.71 -8.34 -1.68 0.00 0.31 -0.95 -4.72 118.33 101.25 1noe n VAL 7 Ca -0.08 2.69 -0.43 0.00 -0.01 0.00 0.00 64.34 66.51 1noe n VAL 7 Cb 0.42 -3.93 -0.03 0.00 -0.91 0.00 0.00 33.84 29.39 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 1.19 1.77 -0.30 3.52 0.00 -1.23 -4.85 120.51 120.60 1noe n ALA 8 Ca 0.00 0.27 0.13 0.00 0.00 0.00 0.00 53.44 53.84 1noe n ALA 8 Cb 0.00 -2.62 0.30 0.00 0.00 0.00 0.00 19.45 17.13 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 9.44 1.40 -0.87 0.00 0.00 -1.90 0.14 119.26 127.47 1noe h ALA 9 Ca -0.48 0.16 -0.57 0.00 0.00 0.00 0.00 54.91 54.03 1noe h ALA 9 Cb 1.24 0.16 -0.30 0.00 0.00 0.00 0.00 17.79 18.89 1noe h ALA 9 CO 0.94 -0.35 0.38 -3.47 0.00 0.00 0.00 179.25 176.76 1noe n ASP 10 N -5.06 5.86 -4.77 0.00 2.03 -1.26 -4.61 116.55 108.75 1noe n ASP 10 Ca 0.22 -3.75 -0.40 0.00 0.52 0.00 0.00 54.79 51.38 1noe n ASP 10 Cb 0.64 -0.79 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 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 -2.19 6.79 0.33 1.67 -1.08 0.04 -4.84 116.67 117.39 1noe s ASP 11 Ca 0.58 2.45 0.13 0.00 -0.52 0.00 0.00 52.55 55.19 1noe s ASP 11 Cb 0.47 -2.63 1.05 0.00 -1.46 0.00 0.00 42.92 40.35 1noe s ASP 11 CO 0.02 -0.50 1.64 0.00 0.52 0.00 0.00 175.17 176.85 1noe h ALA 12 N 3.19 1.82 -0.14 3.66 0.00 -1.94 0.32 119.26 126.17 1noe h ALA 12 Ca -0.48 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1noe h ALA 12 Cb 1.23 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1noe h ALA 12 CO 0.65 -0.62 0.02 1.15 0.00 0.00 0.00 179.25 180.45 1noe h THR 13 N 0.23 1.22 -0.89 0.00 2.02 -1.95 -0.72 112.91 112.82 1noe h THR 13 Ca 0.71 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1noe h THR 13 Cb 1.65 1.41 -0.05 0.00 -1.74 0.00 0.00 68.15 69.42 1noe h THR 13 CO -0.66 0.20 0.59 0.00 0.37 0.00 0.00 175.52 176.02 1noe h ALA 14 N 0.81 1.39 -0.23 6.16 0.00 -0.81 0.87 119.26 127.45 1noe h ALA 14 Ca 0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1noe h ALA 14 Cb 0.29 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1noe h ALA 14 CO 0.00 0.55 0.08 0.82 0.00 0.00 0.00 179.25 180.70 1noe h ILE 15 N 1.17 1.18 0.08 0.00 2.04 -0.41 -0.83 117.51 120.74 1noe h ILE 15 Ca 0.33 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1noe h ILE 15 Cb -0.08 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1noe h ILE 15 CO -0.08 0.18 -0.04 0.00 0.00 0.00 0.00 178.15 178.21 1noe h ALA 16 N 0.92 -0.11 0.00 1.87 0.00 -0.85 -3.32 119.26 117.78 1noe h ALA 16 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1noe h ALA 16 Cb 0.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1noe h ALA 16 CO -0.00 -0.23 -0.04 -0.07 0.00 0.00 0.00 179.25 178.91 1noe h LEU 17 N -0.77 0.00 -1.25 0.00 -0.00 -0.85 -3.46 115.31 108.98 1noe h LEU 17 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.75 1noe h LEU 17 Cb 0.59 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 41.30 1noe h LEU 17 CO 0.02 0.04 -0.23 0.29 -0.00 0.00 0.00 178.44 178.56 1noe n LYS 18 N -3.50 -2.44 -1.68 1.13 4.76 -0.77 -0.19 118.16 115.47 1noe n LYS 18 Ca -0.02 0.27 -0.46 0.00 -2.87 0.00 0.00 58.31 55.23 1noe n LYS 18 Cb 0.15 -3.59 -0.04 0.00 -1.84 0.00 0.00 35.03 29.70 1noe n LYS 18 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1noe n TYR 19 N -2.89 2.41 -4.04 2.13 4.19 -0.39 -4.10 117.16 114.47 1noe n TYR 19 Ca -0.03 -0.07 -0.31 0.00 3.31 0.00 0.00 57.90 60.80 1noe n TYR 19 Cb 0.53 -2.69 -0.16 0.00 0.49 0.00 0.00 39.34 37.51 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 3.47 3.34 0.46 2.98 2.47 0.06 -4.92 114.94 122.80 1noe s ASN 20 Ca 0.88 -0.83 0.17 0.00 0.42 0.00 0.00 52.86 53.51 1noe s ASN 20 Cb -0.60 -1.32 1.15 0.00 -1.45 0.00 0.00 41.25 39.02 1noe s ASN 20 CO 0.45 -0.10 1.99 -0.61 -3.72 0.00 0.00 177.10 175.11 1noe h GLN 21 N 7.95 0.27 -4.56 0.43 4.15 -1.92 0.38 115.11 121.81 1noe h GLN 21 Ca -0.33 -0.02 -0.70 0.00 0.77 0.00 0.00 58.65 58.37 1noe h GLN 21 Cb 1.11 -0.06 -0.29 0.00 0.21 0.00 0.00 27.48 28.45 1noe h GLN 21 CO 0.52 0.18 -0.54 0.34 -1.93 0.00 0.00 178.83 177.40 1noe s ASP 22 N -6.26 5.45 0.58 -0.69 -1.08 -1.26 -2.37 116.67 111.04 1noe s ASP 22 Ca -0.07 -1.38 0.28 0.00 -0.52 0.00 0.00 52.55 50.86 1noe s ASP 22 Cb 0.20 -1.92 1.72 0.00 -1.46 0.00 0.00 42.92 41.46 1noe s ASP 22 CO 0.74 -0.44 2.21 0.00 0.52 0.00 0.00 175.17 178.20 1noe h ALA 23 N 8.28 1.65 -0.20 3.66 0.00 -1.04 -0.17 119.26 131.45 1noe h ALA 23 Ca -0.22 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1noe h ALA 23 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1noe h ALA 23 CO 0.68 -0.07 -0.25 1.79 0.00 0.00 0.00 179.25 181.40 1noe h THR 24 N 0.00 1.25 0.00 0.00 1.35 -1.94 -3.07 112.91 110.51 1noe h THR 24 Ca 0.02 -1.19 -0.14 0.00 -0.55 0.00 0.00 66.41 64.54 1noe h THR 24 Cb 0.11 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 1noe h THR 24 CO -0.00 0.37 -1.33 0.11 -0.25 0.00 0.00 175.52 174.42 1noe h LYS 25 N 0.33 0.00 -6.10 4.72 1.57 -1.72 -3.49 116.57 111.88 1noe h LYS 25 Ca 0.05 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.21 1noe h LYS 25 Cb 0.62 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.07 1noe h LYS 25 CO 0.04 0.25 -0.70 0.45 -0.57 0.00 0.00 179.45 178.92 1noe n SER 26 N -2.87 -1.95 0.00 0.86 2.88 -0.17 -4.87 113.62 107.51 1noe n SER 26 Ca -0.08 0.90 0.05 0.00 -1.33 0.00 0.00 58.87 58.41 1noe n SER 26 Cb 0.80 -0.97 0.26 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.05 0.23 -0.34 -1.46 0.00 -1.26 -3.89 120.64 114.97 1noe n GLU 27 Ca 0.12 0.09 0.15 0.00 0.00 0.00 0.00 57.16 57.52 1noe n GLU 27 Cb 0.37 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.61 1noe n GLU 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1noe h ARG 28 N 0.00 0.02 -0.72 3.44 0.11 -1.89 0.22 114.38 115.56 1noe h ARG 28 Ca 0.00 -0.00 0.16 0.00 0.10 0.00 0.00 59.98 60.24 1noe h ARG 28 Cb 0.04 -0.00 -0.12 0.00 1.11 0.00 0.00 29.97 30.99 1noe h ARG 28 CO 0.00 0.01 0.03 0.28 0.10 0.00 0.00 179.97 180.39 1noe h VAL 29 N 0.02 0.40 -0.00 0.08 2.07 -1.88 0.29 116.25 117.23 1noe h VAL 29 Ca 0.60 -0.04 -0.13 0.00 0.82 0.00 0.00 66.70 67.95 1noe h VAL 29 Cb 1.26 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1noe h VAL 29 CO -0.90 0.02 -0.50 0.00 0.02 0.00 0.00 177.57 176.21 1noe h ALA 30 N 1.65 0.07 -0.70 1.67 0.00 -0.95 -3.32 119.26 117.68 1noe h ALA 30 Ca 0.39 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1noe h ALA 30 Cb 0.67 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1noe h ALA 30 CO -0.61 0.28 0.36 0.00 0.00 0.00 0.00 179.25 179.29 1noe h ALA 31 N 0.31 1.32 -6.80 0.00 0.00 -0.48 -3.47 119.26 110.14 1noe h ALA 31 Ca -0.06 -0.12 -0.49 0.00 0.00 0.00 0.00 54.91 54.23 1noe h ALA 31 Cb 1.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1noe h ALA 31 CO 0.10 0.54 -0.96 0.00 0.00 0.00 0.00 179.25 178.93 1noe n ALA 32 N -2.43 -2.55 -1.41 0.00 0.00 0.96 -4.91 120.51 110.17 1noe n ALA 32 Ca 0.07 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.76 1noe n ALA 32 Cb 0.11 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.25 1noe n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1noe n ARG 33 N -3.50 0.63 0.00 0.00 3.00 -1.26 -4.93 116.66 110.60 1noe n ARG 33 Ca -0.20 0.28 0.00 0.00 -0.01 0.00 0.00 57.85 57.92 1noe n ARG 33 Cb 0.57 -2.44 0.00 0.00 0.00 0.00 0.00 32.46 30.59 1noe n ARG 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1noe n PRO 34 N -2.44 -0.44 0.00 5.56 -0.04 -1.26 -4.46 135.00 131.91 1noe n PRO 34 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1noe n PRO 34 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 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 3.53 2.00 3.30 0.55 0.00 -1.26 -4.57 105.19 108.74 1noe n GLY 35 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.52 0.49 0.99 2.96 -1.26 -5.01 118.68 117.37 1noe s LEU 36 Ca 0.00 0.20 -0.18 0.00 -0.22 0.00 0.00 54.13 53.94 1noe s LEU 36 Cb 0.00 1.55 -0.09 0.00 0.50 0.00 0.00 46.19 48.15 1noe s LEU 36 CO 0.00 -0.49 0.98 -2.16 -1.32 0.00 0.00 176.35 173.36 1noe s PRO 37 N -1.38 4.00 0.22 0.98 0.04 -1.26 -4.77 135.00 132.82 1noe s PRO 37 Ca -0.13 1.02 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 1noe s PRO 37 Cb -0.04 -2.14 0.32 0.00 0.04 0.00 0.00 34.50 32.68 1noe s PRO 37 CO 0.05 -0.23 1.66 -1.00 0.04 0.00 0.00 177.00 177.52 1noe h PRO 38 N 1.20 0.11 -0.84 0.56 0.13 -1.86 -0.28 132.00 131.02 1noe h PRO 38 Ca -0.47 -0.01 0.23 0.00 -0.87 0.00 0.00 66.00 64.88 1noe h PRO 38 Cb 1.19 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1noe h PRO 38 CO 0.61 0.07 0.59 1.05 -0.23 0.00 0.00 178.00 180.10 1noe h GLU 39 N 0.11 0.06 0.00 0.86 4.11 -1.92 0.24 114.58 118.04 1noe h GLU 39 Ca 0.34 -0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.61 1noe h GLU 39 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1noe h GLU 39 CO -0.56 0.04 -0.87 0.93 0.07 0.00 0.00 179.01 178.62 1noe h GLU 40 N 0.06 0.00 -6.38 1.06 5.08 -1.40 -3.47 114.58 109.53 1noe h GLU 40 Ca 0.40 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.22 1noe h GLU 40 Cb 1.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.77 1noe h GLU 40 CO -0.03 0.61 0.95 -0.65 -1.00 0.00 0.00 179.01 178.89 1noe s GLN 41 N -2.86 4.23 0.16 2.33 -0.21 0.82 -4.93 119.66 119.20 1noe s GLN 41 Ca 0.01 2.15 -0.13 0.00 0.02 0.00 0.00 55.36 57.42 1noe s GLN 41 Cb 0.08 -3.67 0.01 0.00 1.00 0.00 0.00 33.01 30.43 1noe s GLN 41 CO 0.78 -0.70 0.36 -3.38 -2.12 0.00 0.00 175.29 170.24 1noe s HIS 42 N 2.85 0.12 0.36 0.91 -3.43 -1.26 -4.85 115.29 109.98 1noe s HIS 42 Ca 0.70 -0.48 0.14 0.00 -0.80 0.00 0.00 55.06 54.61 1noe s HIS 42 Cb -0.35 0.13 0.97 0.00 -1.43 0.00 0.00 32.58 31.90 1noe s HIS 42 CO 0.29 -0.76 1.76 0.00 -2.00 0.00 0.00 174.74 174.04 1noe h ALA 44 N 1.66 1.89 -0.17 0.00 0.00 -1.14 0.74 119.26 122.24 1noe h ALA 44 Ca 0.60 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.73 1noe h ALA 44 Cb 1.30 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1noe h ALA 44 CO -0.36 -0.66 0.00 0.09 0.00 0.00 0.00 179.25 178.32 1noe n ASN 45 N -5.15 2.38 -4.64 0.00 4.13 0.64 -4.95 115.26 107.67 1noe n ASN 45 Ca 0.32 -1.80 -0.41 0.00 1.68 0.00 0.00 54.58 54.36 1noe n ASN 45 Cb 1.01 -0.11 -0.05 0.00 -1.54 0.00 0.00 39.78 39.10 1noe n ASN 45 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1noe h GLN 47 N 7.75 0.56 0.00 0.00 4.15 -1.01 -1.71 115.11 124.85 1noe h GLN 47 Ca -0.26 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1noe h GLN 47 Cb 1.11 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.68 1noe h GLN 47 CO 0.82 0.37 0.00 0.74 -1.93 0.00 0.00 178.83 178.83 1noe h PHE 48 N 0.58 0.00 -2.68 3.99 0.04 -1.93 -3.47 116.94 113.47 1noe h PHE 48 Ca 0.60 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.84 1noe h PHE 48 Cb 1.07 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.27 1noe h PHE 48 CO -0.04 0.00 1.00 1.41 -0.60 0.00 0.00 178.31 180.08 1noe s MET 49 N -3.48 4.15 -0.27 1.51 1.75 -0.64 -4.14 119.30 118.16 1noe s MET 49 Ca 0.03 2.55 -0.17 0.00 -1.25 0.00 0.00 55.69 56.86 1noe s MET 49 Cb 0.08 -3.18 -0.03 0.00 2.84 0.00 0.00 34.83 34.54 1noe s MET 49 CO 0.59 -0.74 0.46 -0.65 -0.65 0.00 0.00 175.02 174.03 1noe s GLN 50 N 1.43 4.01 0.14 4.11 -0.21 0.59 -4.87 119.66 124.86 1noe s GLN 50 Ca 0.75 0.17 0.03 0.00 0.02 0.00 0.00 55.36 56.33 1noe s GLN 50 Cb -0.48 -3.67 -0.11 0.00 1.00 0.00 0.00 33.01 29.76 1noe s GLN 50 CO 0.32 -0.35 1.31 0.00 -2.12 0.00 0.00 175.29 174.45 1noe h ALA 51 N 8.12 0.41 0.00 6.09 0.00 -1.93 -1.32 119.26 130.62 1noe h ALA 51 Ca -0.30 -0.80 -0.04 0.00 0.00 0.00 0.00 54.91 53.77 1noe h ALA 51 Cb 1.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1noe h ALA 51 CO 0.69 1.02 0.03 -0.40 0.00 0.00 0.00 179.25 180.59 1noe n ASP 52 N -3.55 2.60 -4.78 0.00 5.75 -1.26 -4.71 116.55 110.60 1noe n ASP 52 Ca -0.03 -1.83 -0.39 0.00 -0.01 0.00 0.00 54.79 52.53 1noe n ASP 52 Cb 0.88 -0.62 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 1noe n ASP 52 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1noe s ALA 53 N 1.48 3.48 -1.07 2.12 0.00 -1.26 -4.94 121.76 121.57 1noe s ALA 53 Ca 0.15 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.11 1noe s ALA 53 Cb 0.07 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 20.18 1noe s ALA 53 CO 0.00 0.29 2.07 0.00 0.00 0.00 0.00 175.76 178.12 1noe s ALA 54 N -0.97 1.08 0.00 0.00 0.00 -1.26 -0.99 121.76 119.62 1noe s ALA 54 Ca 0.34 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.64 1noe s ALA 54 Cb -0.22 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.24 1noe s ALA 54 CO 0.23 -6.02 0.00 0.41 0.00 0.00 0.00 175.76 170.39 1noe n GLY 55 N 6.16 1.72 3.55 0.00 0.00 -1.26 -4.69 105.19 110.67 1noe n GLY 55 Ca 0.43 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.57 -0.65 -2.56 4.61 0.00 -0.16 -5.02 120.51 116.16 1noe n ALA 56 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 1noe n ALA 56 Cb 0.00 -2.01 -0.08 0.00 0.00 0.00 0.00 19.45 17.36 1noe n ALA 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1noe s THR 57 N -1.79 0.00 0.14 0.00 -1.32 -0.02 -5.02 115.64 107.63 1noe s THR 57 Ca 0.71 -1.79 -0.27 0.00 -1.21 0.00 0.00 61.69 59.13 1noe s THR 57 Cb -0.37 -2.41 -0.02 0.00 -1.51 0.00 0.00 72.50 68.20 1noe s THR 57 CO 0.52 0.00 1.59 0.44 -2.21 0.00 0.00 174.62 174.96 1noe h ASP 58 N 2.46 -1.28 0.67 8.08 3.32 -2.01 0.13 116.42 127.79 1noe h ASP 58 Ca -0.32 0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1noe h ASP 58 Cb 1.25 0.54 0.00 0.00 0.22 0.00 0.00 39.33 41.34 1noe h ASP 58 CO 0.46 -0.39 0.00 -0.62 -1.72 0.00 0.00 179.24 176.97 1noe n GLU 59 N -5.42 0.05 -3.64 3.56 1.02 -1.26 -4.64 120.64 110.31 1noe n GLU 59 Ca -0.02 0.25 -0.28 0.00 -0.02 0.00 0.00 57.16 57.08 1noe n GLU 59 Cb 0.35 -1.59 -0.16 0.00 -0.02 0.00 0.00 31.44 30.02 1noe n GLU 59 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1noe s TRP 60 N -3.07 0.76 0.47 -0.32 0.52 0.44 -0.56 118.94 117.18 1noe s TRP 60 Ca 0.08 -0.97 0.05 0.00 0.02 0.00 0.00 56.10 55.27 1noe s TRP 60 Cb 0.11 -1.08 -0.03 0.00 -1.15 0.00 0.00 33.47 31.32 1noe s TRP 60 CO 0.35 -0.74 0.11 0.21 0.02 0.00 0.00 176.95 176.90 1noe s LYS 61 N 1.95 2.16 -0.21 4.98 2.47 -0.81 -0.85 119.74 129.43 1noe s LYS 61 Ca 0.06 -2.14 -0.06 0.00 -1.56 0.00 0.00 55.97 52.27 1noe s LYS 61 Cb -0.16 -1.76 -0.03 0.00 -1.46 0.00 0.00 37.83 34.42 1noe s LYS 61 CO -0.24 -0.27 0.03 0.20 0.16 0.00 0.00 175.35 175.23 1noe s GLY 62 N -3.91 1.75 -1.22 5.54 0.00 -0.50 -0.27 107.32 108.72 1noe s GLY 62 Ca 0.25 -1.01 -0.20 0.00 0.00 0.00 0.00 44.72 43.77 1noe s GLY 62 CO 0.14 0.31 1.89 0.00 0.00 0.00 0.00 173.10 175.44 1noe n GLN 64 N 7.91 0.00 0.01 0.00 7.27 -1.26 -0.23 117.38 131.07 1noe n GLN 64 Ca 0.48 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.37 1noe n GLN 64 Cb 0.45 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.97 1noe n GLN 64 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1noe h LEU 65 N 0.00 0.40 -8.51 1.69 4.07 -1.92 -3.46 115.31 107.59 1noe h LEU 65 Ca 0.00 -0.85 -0.58 0.00 0.08 0.00 0.00 57.88 56.54 1noe h LEU 65 Cb 0.00 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1noe h LEU 65 CO 0.00 1.21 1.55 0.49 -1.08 0.00 0.00 178.44 180.60 1noe n PHE 66 N -4.28 1.41 -3.22 1.13 3.01 0.68 -4.92 117.46 111.27 1noe n PHE 66 Ca -0.11 0.21 -0.39 0.00 1.01 0.00 0.00 57.45 58.18 1noe n PHE 66 Cb 0.67 -2.55 -0.05 0.00 -0.01 0.00 0.00 39.48 37.53 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 7.28 4.37 0.00 -1.08 0.04 -1.26 -4.41 135.00 139.94 1noe s PRO 67 Ca 1.10 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1noe s PRO 67 Cb -0.69 -3.43 0.00 0.00 0.04 0.00 0.00 34.50 30.42 1noe s PRO 67 CO 0.41 0.14 0.00 0.41 0.04 0.00 0.00 177.00 178.01 1noe n GLY 68 N 3.15 1.19 3.77 0.56 0.00 -1.26 -4.90 105.19 107.70 1noe n GLY 68 Ca -0.05 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 4.30 0.04 1.61 1.02 -1.26 -4.88 119.74 120.57 1noe s LYS 69 Ca 0.00 2.29 0.06 0.00 0.02 0.00 0.00 55.97 58.34 1noe s LYS 69 Cb 0.00 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1noe s LYS 69 CO 0.00 -0.28 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.49 1noe s LEU 70 N -1.59 2.76 -0.09 3.17 1.43 -1.26 -4.64 118.68 118.45 1noe s LEU 70 Ca 0.51 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1noe s LEU 70 Cb -0.41 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 1noe s LEU 70 CO 0.53 0.26 0.13 0.27 0.23 0.00 0.00 176.35 177.76 1noe s ILE 71 N -0.96 5.31 0.11 -0.59 -0.00 0.63 -2.25 121.20 123.45 1noe s ILE 71 Ca 0.16 0.06 -0.31 0.00 -0.00 0.00 0.00 60.65 60.56 1noe s ILE 71 Cb -0.11 -3.34 -0.09 0.00 -0.00 0.00 0.00 42.46 38.92 1noe s ILE 71 CO 0.06 0.56 1.63 0.21 -0.00 0.00 0.00 174.94 177.40 1noe s ASN 72 N -1.20 6.58 0.56 4.36 3.84 -1.26 -1.92 114.94 125.90 1noe s ASN 72 Ca 0.17 2.56 0.24 0.00 0.21 0.00 0.00 52.86 56.04 1noe s ASN 72 Cb -0.12 -2.58 1.53 0.00 -0.55 0.00 0.00 41.25 39.53 1noe s ASN 72 CO 0.07 -0.87 2.15 -0.37 -2.79 0.00 0.00 177.10 175.28 1noe h VAL 73 N 4.49 0.72 -0.40 -5.21 -1.51 -1.13 0.19 116.25 113.39 1noe h VAL 73 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1noe h VAL 73 Cb 1.20 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1noe h VAL 73 CO 0.93 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.86 1noe n ASN 74 N -4.16 3.75 -2.21 4.19 3.02 -1.26 -0.62 115.26 117.97 1noe n ASN 74 Ca -0.00 -2.47 -0.02 0.00 -0.03 0.00 0.00 54.58 52.06 1noe n ASN 74 Cb 0.21 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.59 1.62 3.56 7.41 0.00 0.66 -0.63 105.19 118.40 1noe n GLY 75 Ca 0.18 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 0.54 -0.42 0.25 1.61 -0.00 0.12 -0.42 118.94 120.61 1noe s TRP 76 Ca 0.05 0.14 -0.10 0.00 -0.00 0.00 0.00 56.10 56.19 1noe s TRP 76 Cb -0.00 0.60 -0.01 0.00 -0.00 0.00 0.00 33.47 34.06 1noe s TRP 76 CO 0.03 -0.95 0.42 -1.54 -0.00 0.00 0.00 176.95 174.91 1noe s SER 77 N -2.79 0.03 -0.05 5.86 1.04 -1.26 -0.76 113.70 115.77 1noe s SER 77 Ca 0.04 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1noe s SER 77 Cb -0.02 0.56 0.11 0.00 0.10 0.00 0.00 66.02 66.76 1noe s SER 77 CO -0.07 -1.11 0.92 0.00 0.98 0.00 0.00 173.24 173.96 1noe n ALA 78 N -0.38 2.83 -1.20 5.32 0.00 0.74 -0.76 120.51 127.05 1noe n ALA 78 Ca -0.01 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.17 1noe n ALA 78 Cb 0.63 -1.04 0.13 0.00 0.00 0.00 0.00 19.45 19.17 1noe n ALA 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1noe n SER 79 N 0.18 2.09 -4.71 0.00 3.41 -1.26 -5.01 113.62 108.32 1noe n SER 79 Ca 0.06 -3.07 -0.42 0.00 -0.26 0.00 0.00 58.87 55.18 1noe n SER 79 Cb 0.54 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1noe n SER 79 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1noe n TRP 80 N -1.28 2.46 -3.71 7.33 -0.00 0.06 -4.96 117.44 117.35 1noe n TRP 80 Ca 0.15 0.48 -0.14 0.00 -0.00 0.00 0.00 57.50 57.99 1noe n TRP 80 Cb 0.65 -2.46 -0.14 0.00 -0.00 0.00 0.00 31.31 29.36 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 -0.83 -0.17 0.24 5.87 2.01 -1.26 -4.99 115.64 116.52 1noe s THR 81 Ca 0.58 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 62.51 1noe s THR 81 Cb -0.56 -0.31 -0.12 0.00 0.01 0.00 0.00 72.50 71.52 1noe s THR 81 CO 0.59 0.10 1.68 -0.11 -0.69 0.00 0.00 174.62 176.20 1noe n LEU 82 N 4.73 4.17 -4.57 4.42 0.00 -1.26 -0.51 117.00 123.97 1noe n LEU 82 Ca -0.17 1.09 -0.40 0.00 0.00 0.00 0.00 56.01 56.54 1noe n LEU 82 Cb 0.51 -1.59 -0.04 0.00 0.00 0.00 0.00 43.42 42.31 1noe n LEU 82 CO 0.11 0.19 1.94 1.17 0.00 0.00 0.00 177.39 180.80 1noe n LYS 83 N 3.30 1.44 0.00 1.96 4.81 0.69 -4.44 118.16 125.92 1noe n LYS 83 Ca 0.13 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1noe n LYS 83 Cb 0.36 -3.26 0.00 0.00 0.02 0.00 0.00 35.03 32.15 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 13.57 0.00 0.00 3.14 0.00 -1.26 -4.94 120.51 131.02 1noe n ALA 84 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1noe n ALA 84 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91