#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 1.31 -4.81 0.00 7.64 -1.26 -4.96 113.62 111.55 1noe n SER 1 Ca 0.00 1.14 -0.33 0.00 1.01 0.00 0.00 58.87 60.69 1noe n SER 1 Cb 0.00 -1.22 -0.05 0.00 -1.01 0.00 0.00 64.21 61.93 1noe n SER 1 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1noe s ALA 2 N -0.25 2.97 0.72 -0.43 0.00 -1.26 -5.06 121.76 118.46 1noe s ALA 2 Ca 0.72 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 1noe s ALA 2 Cb -0.85 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.11 1noe s ALA 2 CO 0.53 -0.06 1.07 -1.25 0.00 0.00 0.00 175.76 176.04 1noe s PRO 3 N -3.23 2.72 0.39 0.00 0.04 -1.26 -4.96 135.00 128.70 1noe s PRO 3 Ca 0.64 0.88 0.07 0.00 0.04 0.00 0.00 61.00 62.62 1noe s PRO 3 Cb -0.12 -1.97 0.81 0.00 0.04 0.00 0.00 34.50 33.26 1noe s PRO 3 CO 0.16 -1.23 2.02 0.00 0.04 0.00 0.00 177.00 177.99 1noe h ALA 4 N -0.81 1.71 0.00 8.56 0.00 -2.02 -3.28 119.26 123.42 1noe h ALA 4 Ca -0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1noe h ALA 4 Cb 1.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1noe h ALA 4 CO 0.57 0.24 -0.00 -2.95 0.00 0.00 0.00 179.25 177.11 1noe h ASN 5 N 0.64 -0.00 -0.27 0.00 -1.07 -1.95 -3.47 115.58 109.46 1noe h ASN 5 Ca 0.21 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.52 1noe h ASN 5 Cb 0.05 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.28 1noe h ASN 5 CO -0.05 0.00 -0.06 0.00 0.07 0.00 0.00 177.43 177.39 1noe n ALA 6 N -2.00 -0.05 -2.02 4.14 0.00 -1.24 -3.85 120.51 115.49 1noe n ALA 6 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1noe n ALA 6 Cb 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.51 -9.22 -1.95 0.00 0.31 -1.03 -4.68 118.33 100.26 1noe n VAL 7 Ca -0.03 3.07 -0.42 0.00 -0.01 0.00 0.00 64.34 66.95 1noe n VAL 7 Cb 0.37 -4.39 -0.03 0.00 -0.91 0.00 0.00 33.84 28.89 1noe n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1noe s ALA 8 N -1.41 3.71 0.24 3.52 0.00 -1.25 -4.90 121.76 121.67 1noe s ALA 8 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 1noe s ALA 8 Cb 0.00 -3.60 0.32 0.00 0.00 0.00 0.00 23.12 19.84 1noe s ALA 8 CO 0.00 -0.79 1.59 0.00 0.00 0.00 0.00 175.76 176.56 1noe h ALA 9 N 5.82 0.47 -0.99 0.00 0.00 -1.93 -0.59 119.26 122.04 1noe h ALA 9 Ca -0.45 0.30 -0.65 0.00 0.00 0.00 0.00 54.91 54.11 1noe h ALA 9 Cb 1.21 0.65 -0.34 0.00 0.00 0.00 0.00 17.79 19.31 1noe h ALA 9 CO 0.84 -0.44 0.29 -0.25 0.00 0.00 0.00 179.25 179.69 1noe n ASP 10 N -5.52 6.63 -4.76 0.00 9.92 -1.26 -4.47 116.55 117.09 1noe n ASP 10 Ca 0.11 -3.78 -0.41 0.00 -0.53 0.00 0.00 54.79 50.18 1noe n ASP 10 Cb 0.41 -0.77 -0.02 0.00 -0.64 0.00 0.00 41.12 40.10 1noe n ASP 10 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1noe s ASP 11 N -2.36 6.67 0.36 -2.24 -1.08 -0.23 -4.85 116.67 112.94 1noe s ASP 11 Ca 0.57 2.72 0.16 0.00 -0.52 0.00 0.00 52.55 55.48 1noe s ASP 11 Cb 0.46 -2.64 1.08 0.00 -1.46 0.00 0.00 42.92 40.36 1noe s ASP 11 CO -0.08 -0.65 1.70 0.00 0.52 0.00 0.00 175.17 176.65 1noe h ALA 12 N 4.10 2.07 -0.18 3.66 0.00 -1.93 0.39 119.26 127.37 1noe h ALA 12 Ca -0.48 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1noe h ALA 12 Cb 1.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1noe h ALA 12 CO 0.71 -0.60 0.03 1.15 0.00 0.00 0.00 179.25 180.54 1noe h THR 13 N 0.38 1.22 -0.46 0.00 2.02 -1.95 -0.04 112.91 114.09 1noe h THR 13 Ca 0.69 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1noe h THR 13 Cb 1.63 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 1noe h THR 13 CO -0.48 0.22 0.26 0.00 0.37 0.00 0.00 175.52 175.89 1noe h ALA 14 N 0.82 1.59 0.65 6.16 0.00 -0.64 0.32 119.26 128.17 1noe h ALA 14 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1noe h ALA 14 Cb 0.31 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1noe h ALA 14 CO 0.00 0.35 -0.31 0.82 0.00 0.00 0.00 179.25 180.11 1noe h ILE 15 N 0.63 0.00 -0.70 0.00 2.04 -0.57 0.57 117.51 119.48 1noe h ILE 15 Ca 0.16 -0.33 0.14 0.00 1.00 0.00 0.00 64.86 65.83 1noe h ILE 15 Cb 0.01 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.99 1noe h ILE 15 CO -0.03 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.32 1noe h ALA 16 N -1.26 0.91 -0.02 1.87 0.00 -0.74 -0.04 119.26 119.97 1noe h ALA 16 Ca -0.09 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1noe h ALA 16 Cb 0.67 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1noe h ALA 16 CO 0.15 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1noe n LEU 17 N -5.10 0.48 -3.98 0.00 7.99 0.08 -4.93 117.00 111.54 1noe n LEU 17 Ca 0.13 -0.17 -0.26 0.00 -0.01 0.00 0.00 56.01 55.69 1noe n LEU 17 Cb 0.41 -0.01 -0.03 0.00 -0.11 0.00 0.00 43.42 43.68 1noe n LEU 17 CO 0.16 0.09 -0.25 0.29 -1.51 0.00 0.00 177.39 176.16 1noe n LYS 18 N -0.58 -3.01 -1.98 3.23 5.02 -0.03 -0.18 118.16 120.63 1noe n LYS 18 Ca 0.20 0.37 -0.40 0.00 -2.02 0.00 0.00 58.31 56.47 1noe n LYS 18 Cb 0.17 -4.42 -0.00 0.00 -0.02 0.00 0.00 35.03 30.76 1noe n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1noe s TYR 19 N -3.99 2.73 0.00 2.13 6.14 0.12 -3.87 117.35 120.62 1noe s TYR 19 Ca 0.01 1.35 0.00 0.00 0.64 0.00 0.00 57.07 59.08 1noe s TYR 19 Cb -0.01 -3.76 0.00 0.00 0.42 0.00 0.00 41.96 38.61 1noe s TYR 19 CO 0.90 -2.35 0.00 -1.71 0.64 0.00 0.00 175.55 173.03 1noe n ASN 20 N 0.14 2.09 0.00 4.32 5.15 -1.26 -4.89 115.26 120.81 1noe n ASN 20 Ca 0.03 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1noe n ASN 20 Cb 0.43 0.62 0.00 0.00 -0.53 0.00 0.00 39.78 40.30 1noe n ASN 20 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1noe n GLN 21 N -0.83 0.00 -2.32 1.20 0.00 -1.26 -4.74 117.38 109.43 1noe n GLN 21 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.65 1noe n GLN 21 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1noe n GLN 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1noe s ASP 22 N 0.00 5.84 0.46 1.69 1.01 -1.26 -2.45 116.67 121.96 1noe s ASP 22 Ca 0.00 -0.95 0.21 0.00 0.71 0.00 0.00 52.55 52.53 1noe s ASP 22 Cb 0.00 -2.56 1.21 0.00 1.01 0.00 0.00 42.92 42.57 1noe s ASP 22 CO 0.00 -2.09 1.90 0.00 0.21 0.00 0.00 175.17 175.18 1noe h ALA 23 N 10.76 2.36 -0.90 5.23 0.00 -1.09 0.21 119.26 135.83 1noe h ALA 23 Ca 0.09 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.18 1noe h ALA 23 Cb 1.02 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1noe h ALA 23 CO 1.32 -0.61 0.59 1.79 0.00 0.00 0.00 179.25 182.33 1noe h THR 24 N 0.27 0.75 0.00 0.00 1.35 -1.88 -2.79 112.91 110.61 1noe h THR 24 Ca 0.41 -0.19 -0.14 0.00 -0.55 0.00 0.00 66.41 65.94 1noe h THR 24 Cb 1.19 0.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.72 1noe h THR 24 CO -0.10 0.10 -1.93 1.17 -0.25 0.00 0.00 175.52 174.50 1noe n LYS 25 N -4.56 0.66 -1.29 4.72 4.81 0.45 -5.03 118.16 117.91 1noe n LYS 25 Ca 0.19 -0.04 -0.39 0.00 -0.87 0.00 0.00 58.31 57.19 1noe n LYS 25 Cb 0.58 -1.59 0.01 0.00 0.02 0.00 0.00 35.03 34.05 1noe n LYS 25 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1noe n SER 26 N -2.55 -3.11 0.13 3.14 2.88 0.40 -4.86 113.62 109.65 1noe n SER 26 Ca -0.13 0.68 0.08 0.00 -1.33 0.00 0.00 58.87 58.17 1noe n SER 26 Cb 0.79 -0.91 0.40 0.00 -0.75 0.00 0.00 64.21 63.74 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 1.20 0.10 -0.34 -1.46 0.00 -1.26 -3.64 120.64 115.24 1noe n GLU 27 Ca 0.09 0.58 0.07 0.00 0.00 0.00 0.00 57.16 57.89 1noe n GLU 27 Cb 0.47 -1.91 0.15 0.00 0.00 0.00 0.00 31.44 30.15 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 -2.03 -0.08 -0.29 3.44 1.85 -1.26 -0.29 116.66 118.00 1noe n ARG 28 Ca -0.01 1.48 0.12 0.00 -1.00 0.00 0.00 57.85 58.44 1noe n ARG 28 Cb 0.12 -2.23 0.28 0.00 -1.05 0.00 0.00 32.46 29.57 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 0.45 0.05 8.89 2.07 -1.88 0.28 116.25 126.10 1noe h VAL 29 Ca 0.48 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.77 1noe h VAL 29 Cb 0.77 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1noe h VAL 29 CO -0.97 0.06 -0.56 0.00 0.02 0.00 0.00 177.57 176.12 1noe h ALA 30 N 1.70 0.04 -0.47 1.67 0.00 -0.94 -3.38 119.26 117.88 1noe h ALA 30 Ca 0.53 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1noe h ALA 30 Cb 1.00 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1noe h ALA 30 CO -0.55 0.30 0.14 0.00 0.00 0.00 0.00 179.25 179.13 1noe h ALA 31 N -0.06 1.35 -6.64 0.00 0.00 -0.26 -3.47 119.26 110.18 1noe h ALA 31 Ca -0.12 -0.17 -0.46 0.00 0.00 0.00 0.00 54.91 54.16 1noe h ALA 31 Cb 1.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1noe h ALA 31 CO 0.01 0.47 -1.08 0.00 0.00 0.00 0.00 179.25 178.65 1noe n ALA 32 N -2.46 -2.65 -1.25 0.00 0.00 0.92 -4.92 120.51 110.15 1noe n ALA 32 Ca 0.03 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 52.94 1noe n ALA 32 Cb 0.19 -0.86 0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.19 0.36 -0.18 0.00 3.00 -1.26 -4.97 116.66 111.42 1noe n ARG 33 Ca -0.28 0.18 -0.04 0.00 -0.01 0.00 0.00 57.85 57.70 1noe n ARG 33 Cb 0.66 -2.21 0.03 0.00 0.00 0.00 0.00 32.46 30.94 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 -2.08 -0.91 0.00 5.56 -0.04 -1.26 -4.48 135.00 131.79 1noe n PRO 34 Ca 0.12 -0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1noe n PRO 34 Cb 0.50 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.76 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 2.31 2.00 3.07 0.55 0.00 -1.26 -4.77 105.19 107.08 1noe n GLY 35 Ca 0.02 -0.26 -0.10 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 1.83 0.49 0.99 2.96 -1.26 -5.10 118.68 118.58 1noe s LEU 36 Ca 0.00 -0.37 -0.21 0.00 -0.22 0.00 0.00 54.13 53.33 1noe s LEU 36 Cb 0.00 0.48 -0.07 0.00 0.50 0.00 0.00 46.19 47.09 1noe s LEU 36 CO 0.00 -0.38 1.10 -2.16 -1.32 0.00 0.00 176.35 173.59 1noe s PRO 37 N -1.67 3.69 0.26 0.98 0.04 -1.26 -4.78 135.00 132.26 1noe s PRO 37 Ca -0.13 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 1noe s PRO 37 Cb -0.07 -2.20 0.56 0.00 0.04 0.00 0.00 34.50 32.84 1noe s PRO 37 CO -0.00 -0.56 1.67 -1.00 0.04 0.00 0.00 177.00 177.15 1noe h PRO 38 N 1.68 0.24 -1.02 0.56 0.13 -1.86 0.42 132.00 132.15 1noe h PRO 38 Ca -0.49 -0.01 0.26 0.00 -0.87 0.00 0.00 66.00 64.89 1noe h PRO 38 Cb 1.24 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1noe h PRO 38 CO 0.59 0.16 0.68 1.05 -0.23 0.00 0.00 178.00 180.25 1noe h GLU 39 N 0.25 0.30 0.00 0.86 4.11 -1.91 0.18 114.58 118.37 1noe h GLU 39 Ca 0.47 -0.02 -0.17 0.00 0.07 0.00 0.00 59.36 59.71 1noe h GLU 39 Cb 0.87 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1noe h GLU 39 CO -0.57 0.20 -0.81 0.93 0.07 0.00 0.00 179.01 178.83 1noe h GLU 40 N 0.31 0.00 -6.35 1.06 5.08 -1.26 -3.47 114.58 109.95 1noe h GLU 40 Ca 0.55 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.37 1noe h GLU 40 Cb 1.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1noe h GLU 40 CO -0.21 0.81 0.97 -0.65 -1.00 0.00 0.00 179.01 178.92 1noe s GLN 41 N -2.98 4.22 0.22 2.33 -0.21 0.63 -4.92 119.66 118.95 1noe s GLN 41 Ca 0.01 2.13 -0.20 0.00 0.02 0.00 0.00 55.36 57.33 1noe s GLN 41 Cb 0.10 -3.72 0.03 0.00 1.00 0.00 0.00 33.01 30.43 1noe s GLN 41 CO 0.79 -0.71 0.60 -3.38 -2.12 0.00 0.00 175.29 170.47 1noe s HIS 42 N 3.03 -0.20 0.33 0.91 -3.43 -1.26 -4.81 115.29 109.86 1noe s HIS 42 Ca 0.69 -0.16 0.12 0.00 -0.80 0.00 0.00 55.06 54.91 1noe s HIS 42 Cb -0.34 0.52 0.97 0.00 -1.43 0.00 0.00 32.58 32.30 1noe s HIS 42 CO 0.29 -1.02 1.71 0.00 -2.00 0.00 0.00 174.74 173.72 1noe h ALA 44 N 1.76 2.37 -0.09 0.00 0.00 -1.00 0.44 119.26 122.73 1noe h ALA 44 Ca 0.67 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1noe h ALA 44 Cb 1.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1noe h ALA 44 CO -0.51 -0.77 0.00 0.09 0.00 0.00 0.00 179.25 178.06 1noe n ASN 45 N -4.57 2.67 -4.74 0.00 4.13 0.68 -4.98 115.26 108.45 1noe n ASN 45 Ca 0.26 -1.87 -0.41 0.00 1.68 0.00 0.00 54.58 54.23 1noe n ASN 45 Cb 0.94 -0.05 -0.04 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 5.18 -0.17 0.00 0.00 -0.00 -0.95 -3.23 115.11 115.94 1noe h GLN 47 Ca -0.44 0.01 -0.11 0.00 -0.00 0.00 0.00 58.65 58.11 1noe h GLN 47 Cb 1.21 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.71 1noe h GLN 47 CO 0.72 -0.11 -0.51 0.74 0.00 0.00 0.00 178.83 179.67 1noe h PHE 48 N -0.18 0.00 -2.63 3.99 0.04 -1.83 -3.47 116.94 112.87 1noe h PHE 48 Ca 0.11 0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.29 1noe h PHE 48 Cb 0.34 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.59 1noe h PHE 48 CO -0.30 0.51 0.43 -0.12 -0.60 0.00 0.00 178.31 178.23 1noe n MET 49 N -3.53 1.75 -4.62 1.51 1.56 -1.22 -4.76 117.12 107.80 1noe n MET 49 Ca -0.00 0.62 -0.22 0.00 -0.27 0.00 0.00 57.70 57.83 1noe n MET 49 Cb 0.61 -2.17 -0.15 0.00 2.15 0.00 0.00 33.22 33.66 1noe n MET 49 CO 0.00 0.00 0.00 1.14 -0.73 0.00 0.00 175.97 176.38 1noe s GLN 50 N -0.94 1.15 0.00 2.12 -2.07 -0.78 -5.03 119.66 114.12 1noe s GLN 50 Ca 0.64 -0.48 0.18 0.00 -1.82 0.00 0.00 55.36 53.88 1noe s GLN 50 Cb -0.68 -1.10 0.08 0.00 -1.09 0.00 0.00 33.01 30.22 1noe s GLN 50 CO 0.55 0.27 1.00 0.00 -1.32 0.00 0.00 175.29 175.79 1noe n ALA 51 N 2.83 2.78 0.25 2.60 0.00 -1.26 -2.68 120.51 125.03 1noe n ALA 51 Ca -0.15 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 52.76 1noe n ALA 51 Cb 0.55 -0.61 0.61 0.00 0.00 0.00 0.00 19.45 20.01 1noe n ALA 51 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1noe h ASP 52 N 2.87 0.00 0.00 0.00 2.03 -1.97 -3.46 116.42 115.90 1noe h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1noe h ASP 52 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1noe h ASP 52 CO 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 179.24 178.28 1noe n ALA 53 N -2.50 0.00 -1.56 4.15 0.00 -1.26 -4.62 120.51 114.72 1noe n ALA 53 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1noe n ALA 53 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 1noe n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1noe n ALA 54 N 0.00 0.31 0.00 0.00 0.00 -1.26 -0.53 120.51 119.03 1noe n ALA 54 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 53.44 51.81 1noe n ALA 54 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 19.45 16.20 1noe n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1noe n GLY 55 N 6.56 1.40 3.67 0.00 0.00 -1.26 -4.64 105.19 110.91 1noe n GLY 55 Ca 0.45 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.55 0.04 -3.69 4.61 0.00 0.31 -5.05 120.51 116.19 1noe n ALA 56 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 53.44 53.13 1noe n ALA 56 Cb 0.00 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 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 -2.90 0.00 0.12 0.00 5.66 -0.08 -5.03 114.28 112.05 1noe n THR 57 Ca 0.14 -0.51 -0.12 0.00 -3.05 0.00 0.00 64.05 60.51 1noe n THR 57 Cb 0.50 0.18 -0.08 0.00 -1.55 0.00 0.00 70.33 69.39 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 0.35 -0.30 -0.52 1.09 3.58 -2.01 -3.06 116.42 115.55 1noe h ASP 58 Ca -0.07 -0.23 0.09 0.00 0.42 0.00 0.00 57.03 57.24 1noe h ASP 58 Cb 0.26 0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1noe h ASP 58 CO 0.11 0.15 0.35 -0.33 -2.88 0.00 0.00 179.24 176.64 1noe h GLU 59 N -0.83 0.29 -4.40 0.28 5.08 -1.98 -3.40 114.58 109.63 1noe h GLU 59 Ca -0.04 -0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.67 1noe h GLU 59 Cb 0.51 -0.07 -0.39 0.00 0.50 0.00 0.00 28.75 29.30 1noe h GLU 59 CO 0.06 0.19 -0.75 -1.58 -1.00 0.00 0.00 179.01 175.93 1noe s TRP 60 N -5.30 2.99 0.57 4.33 0.52 -1.16 -0.48 118.94 120.41 1noe s TRP 60 Ca -0.07 -2.40 0.06 0.00 0.02 0.00 0.00 56.10 53.72 1noe s TRP 60 Cb 0.19 -2.27 0.06 0.00 -1.15 0.00 0.00 33.47 30.30 1noe s TRP 60 CO 0.74 -0.89 0.50 0.15 0.02 0.00 0.00 176.95 177.47 1noe s LYS 61 N 1.18 2.24 0.03 4.98 3.01 -0.17 -0.90 119.74 130.10 1noe s LYS 61 Ca 0.05 -1.99 0.04 0.00 -1.01 0.00 0.00 55.97 53.06 1noe s LYS 61 Cb -0.19 -2.19 -0.04 0.00 -1.01 0.00 0.00 37.83 34.40 1noe s LYS 61 CO -0.11 -0.73 -0.07 0.20 0.51 0.00 0.00 175.35 175.15 1noe s GLY 62 N -4.39 1.76 0.00 -3.33 0.00 -1.09 -0.14 107.32 100.13 1noe s GLY 62 Ca 0.39 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1noe s GLY 62 CO 0.24 -0.96 0.05 0.00 0.00 0.00 0.00 173.10 172.43 1noe n GLN 64 N -0.26 0.00 -0.36 0.00 7.27 -1.26 -3.17 117.38 119.59 1noe n GLN 64 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1noe n GLN 64 Cb 0.00 0.00 0.22 0.00 2.41 0.00 0.00 30.24 32.87 1noe n GLN 64 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1noe n LEU 65 N -2.96 3.03 -3.67 1.69 -0.00 -1.26 -4.52 117.00 109.31 1noe n LEU 65 Ca 0.00 -1.52 -0.28 0.00 -0.00 0.00 0.00 56.01 54.21 1noe n LEU 65 Cb 0.00 -0.44 -0.10 0.00 -0.00 0.00 0.00 43.42 42.88 1noe n LEU 65 CO 0.00 0.54 0.04 0.49 -0.00 0.00 0.00 177.39 178.46 1noe n PHE 66 N 0.61 3.47 -2.63 1.96 3.01 -1.26 -5.06 117.46 117.57 1noe n PHE 66 Ca 0.16 -4.23 -0.34 0.00 1.01 0.00 0.00 57.45 54.05 1noe n PHE 66 Cb 0.57 -0.61 -0.05 0.00 -0.01 0.00 0.00 39.48 39.39 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 -1.98 3.93 0.00 -1.08 0.04 -1.26 -4.14 135.00 130.52 1noe s PRO 67 Ca 0.32 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1noe s PRO 67 Cb 0.05 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1noe s PRO 67 CO -0.09 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1noe n GLY 68 N -0.35 1.21 3.68 0.56 0.00 -1.26 -4.89 105.19 104.14 1noe n GLY 68 Ca 0.09 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 0.51 -0.01 1.61 1.02 -1.26 -4.88 119.74 116.73 1noe s LYS 69 Ca 0.00 0.56 0.02 0.00 0.02 0.00 0.00 55.97 56.57 1noe s LYS 69 Cb 0.00 -1.74 -0.00 0.00 -0.52 0.00 0.00 37.83 35.56 1noe s LYS 69 CO 0.00 -2.69 -0.05 -0.51 -0.92 0.00 0.00 175.35 171.18 1noe s LEU 70 N -6.44 1.98 -0.01 3.17 1.43 -1.26 -4.80 118.68 112.75 1noe s LEU 70 Ca 0.65 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.53 1noe s LEU 70 Cb -0.19 -0.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 1noe s LEU 70 CO 0.58 0.06 0.36 0.27 0.23 0.00 0.00 176.35 177.85 1noe s ILE 71 N -0.09 5.12 0.32 -0.59 -5.25 0.80 -2.46 121.20 119.05 1noe s ILE 71 Ca 0.02 0.69 -0.29 0.00 -0.99 0.00 0.00 60.65 60.07 1noe s ILE 71 Cb -0.03 -3.65 -0.11 0.00 2.95 0.00 0.00 42.46 41.63 1noe s ILE 71 CO -0.00 0.55 1.43 0.21 -1.79 0.00 0.00 174.94 175.34 1noe s ASN 72 N -1.15 6.55 0.67 4.36 3.84 -1.26 -1.00 114.94 126.95 1noe s ASN 72 Ca 0.23 2.84 0.40 0.00 0.21 0.00 0.00 52.86 56.54 1noe s ASN 72 Cb -0.16 -2.65 2.17 0.00 -0.55 0.00 0.00 41.25 40.06 1noe s ASN 72 CO 0.12 -0.73 2.22 -0.37 -2.79 0.00 0.00 177.10 175.56 1noe h VAL 73 N 3.16 0.00 -0.51 -5.21 -1.51 -1.05 0.21 116.25 111.34 1noe h VAL 73 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1noe h VAL 73 Cb 1.23 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 1noe h VAL 73 CO 0.69 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.62 1noe n ASN 74 N -3.02 4.43 -3.90 4.19 3.02 -1.26 -0.39 115.26 118.33 1noe n ASN 74 Ca -0.03 -2.55 -0.30 0.00 -0.03 0.00 0.00 54.58 51.68 1noe n ASN 74 Cb 0.18 -0.58 0.22 0.00 -0.61 0.00 0.00 39.78 38.98 1noe n ASN 74 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1noe s GLY 75 N -0.74 1.74 0.04 7.41 0.00 0.73 -0.55 107.32 115.95 1noe s GLY 75 Ca 0.44 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1noe s GLY 75 CO 0.17 -0.37 0.00 1.87 0.00 0.00 0.00 173.10 174.78 1noe n TRP 76 N -4.15 -0.30 -1.13 1.90 -0.00 -1.26 -0.44 117.44 112.04 1noe n TRP 76 Ca 0.16 0.05 0.09 0.00 -0.00 0.00 0.00 57.50 57.80 1noe n TRP 76 Cb 0.59 0.41 -0.05 0.00 -0.00 0.00 0.00 31.31 32.27 1noe n TRP 76 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1noe n SER 77 N -2.64 -6.14 -4.73 5.87 3.41 -1.25 -4.36 113.62 103.79 1noe n SER 77 Ca 0.00 1.22 -0.41 0.00 -0.26 0.00 0.00 58.87 59.43 1noe n SER 77 Cb 0.00 -3.76 -0.04 0.00 -0.26 0.00 0.00 64.21 60.15 1noe n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1noe s ALA 78 N -4.35 3.29 0.00 7.33 0.00 0.75 -3.23 121.76 125.54 1noe s ALA 78 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1noe s ALA 78 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1noe s ALA 78 CO 0.00 -0.08 0.00 0.45 0.00 0.00 0.00 175.76 176.13 1noe n SER 79 N 3.39 -1.43 0.00 0.00 2.88 -1.26 -4.84 113.62 112.36 1noe n SER 79 Ca 0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1noe n SER 79 Cb 0.51 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.56 1noe n SER 79 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 1noe h TRP 80 N 0.00 -0.15 -4.32 0.66 7.01 -1.75 -3.48 115.95 113.92 1noe h TRP 80 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1noe h TRP 80 Cb 0.47 0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 27.53 1noe h TRP 80 CO 0.00 -0.05 -1.03 2.41 -2.79 0.00 0.00 178.44 176.98 1noe n THR 81 N -2.80-10.67 -1.68 2.65 -1.04 -1.26 -3.81 114.28 95.67 1noe n THR 81 Ca -0.01 2.26 -0.56 0.00 -2.04 0.00 0.00 64.05 63.71 1noe n THR 81 Cb 0.04 -5.65 -0.07 0.00 -1.82 0.00 0.00 70.33 62.83 1noe n THR 81 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1noe n LEU 82 N 1.34 2.32 -4.56 -4.42 -0.00 -1.26 -0.59 117.00 109.82 1noe n LEU 82 Ca -0.19 1.08 -0.41 0.00 -0.00 0.00 0.00 56.01 56.48 1noe n LEU 82 Cb 0.30 -1.17 -0.04 0.00 -0.00 0.00 0.00 43.42 42.51 1noe n LEU 82 CO 0.18 -0.53 1.93 1.17 -0.00 0.00 0.00 177.39 180.14 1noe n LYS 83 N 4.85 1.47 0.00 1.96 4.81 0.55 -4.51 118.16 127.29 1noe n LYS 83 Ca 0.24 0.29 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1noe n LYS 83 Cb 0.16 -3.21 0.00 0.00 0.02 0.00 0.00 35.03 32.00 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 13.18 0.00 0.84 3.14 0.00 -1.26 -4.89 120.51 131.52 1noe n ALA 84 Ca 0.35 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.85 1noe n ALA 84 Cb 0.46 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.31 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91