#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 1.84 -4.76 0.00 7.64 -1.26 -4.94 113.62 112.14 1noe n SER 1 Ca 0.00 1.12 -0.36 0.00 1.01 0.00 0.00 58.87 60.64 1noe n SER 1 Cb 0.00 -1.23 0.01 0.00 -1.01 0.00 0.00 64.21 61.98 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 0.44 2.73 0.53 -0.43 0.00 -1.26 -5.01 121.76 118.75 1noe s ALA 2 Ca 0.82 0.96 -0.17 0.00 0.00 0.00 0.00 51.96 53.57 1noe s ALA 2 Cb -0.89 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 18.74 1noe s ALA 2 CO 0.46 -0.92 1.00 -1.25 0.00 0.00 0.00 175.76 175.06 1noe s PRO 3 N -3.11 3.81 0.42 0.00 0.04 -1.26 -4.94 135.00 129.96 1noe s PRO 3 Ca 0.72 1.03 0.19 0.00 0.04 0.00 0.00 61.00 62.97 1noe s PRO 3 Cb -0.29 -2.11 1.12 0.00 0.04 0.00 0.00 34.50 33.26 1noe s PRO 3 CO 0.33 -0.39 1.85 0.00 0.04 0.00 0.00 177.00 178.82 1noe h ALA 4 N 0.85 2.26 -0.62 8.56 0.00 -2.02 0.12 119.26 128.41 1noe h ALA 4 Ca -0.47 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1noe h ALA 4 Cb 1.19 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1noe h ALA 4 CO 0.60 -0.56 0.09 0.27 0.00 0.00 0.00 179.25 179.66 1noe n ASN 5 N -4.51 5.36 -4.60 0.00 6.94 -1.26 -5.00 115.26 112.18 1noe n ASN 5 Ca 0.20 -3.01 -0.60 0.00 -0.02 0.00 0.00 54.58 51.16 1noe n ASN 5 Cb 0.75 -0.71 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 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 0.36 -2.21 -1.67 -2.53 0.00 0.03 -2.15 120.51 112.33 1noe n ALA 6 Ca 0.32 0.54 -0.47 0.00 0.00 0.00 0.00 53.44 53.83 1noe n ALA 6 Cb 1.25 -1.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 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 2.66 0.23 -2.45 0.00 0.31 0.24 -4.79 118.33 114.52 1noe n VAL 7 Ca 0.23 -0.04 -0.42 0.00 -0.01 0.00 0.00 64.34 64.10 1noe n VAL 7 Cb 0.07 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.28 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 2.14 3.37 0.57 3.52 0.00 -1.26 -4.92 121.76 125.19 1noe s ALA 8 Ca 0.84 0.83 0.28 0.00 0.00 0.00 0.00 51.96 53.90 1noe s ALA 8 Cb -0.67 -3.43 1.54 0.00 0.00 0.00 0.00 23.12 20.56 1noe s ALA 8 CO 0.43 -0.40 2.03 0.00 0.00 0.00 0.00 175.76 177.81 1noe h ALA 9 N 6.63 2.06 -0.48 0.00 0.00 -1.92 -0.21 119.26 125.34 1noe h ALA 9 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1noe h ALA 9 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1noe h ALA 9 CO 0.80 -0.47 0.00 -3.47 0.00 0.00 0.00 179.25 176.11 1noe n ASP 10 N -3.93 5.12 -4.78 0.00 2.03 -1.26 -4.00 116.55 109.73 1noe n ASP 10 Ca 0.05 -2.93 -0.33 0.00 0.52 0.00 0.00 54.79 52.09 1noe n ASP 10 Cb 0.46 -0.64 0.03 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.15 5.35 0.21 1.67 -1.08 -0.09 -4.78 116.67 116.81 1noe s ASP 11 Ca 0.51 1.99 -0.11 0.00 -0.52 0.00 0.00 52.55 54.42 1noe s ASP 11 Cb 0.39 -2.55 0.29 0.00 -1.46 0.00 0.00 42.92 39.59 1noe s ASP 11 CO 0.14 -1.46 1.68 0.00 0.52 0.00 0.00 175.17 176.05 1noe h ALA 12 N 0.31 0.64 -0.49 3.66 0.00 -1.93 0.32 119.26 121.77 1noe h ALA 12 Ca -0.47 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1noe h ALA 12 Cb 1.24 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1noe h ALA 12 CO 0.55 -0.37 0.25 1.15 0.00 0.00 0.00 179.25 180.84 1noe h THR 13 N 0.16 1.18 -0.06 0.00 2.02 -1.94 -0.72 112.91 113.56 1noe h THR 13 Ca 0.32 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1noe h THR 13 Cb 0.50 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1noe h THR 13 CO -0.48 0.19 -0.30 0.00 0.37 0.00 0.00 175.52 175.30 1noe h ALA 14 N 1.09 1.39 0.67 6.16 0.00 -1.10 0.35 119.26 127.83 1noe h ALA 14 Ca 0.17 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1noe h ALA 14 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1noe h ALA 14 CO -0.02 0.44 -0.32 0.82 0.00 0.00 0.00 179.25 180.16 1noe h ILE 15 N 0.10 0.02 -0.83 0.00 2.04 -0.12 0.88 117.51 119.60 1noe h ILE 15 Ca 0.01 -0.34 0.12 0.00 1.00 0.00 0.00 64.86 65.66 1noe h ILE 15 Cb 0.59 0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 1noe h ILE 15 CO 0.04 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.64 1noe h ALA 16 N -1.21 1.21 0.00 1.87 0.00 -0.97 -0.48 119.26 119.69 1noe h ALA 16 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1noe h ALA 16 Cb 0.70 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1noe h ALA 16 CO 0.15 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1noe n LEU 17 N -4.82 0.67 -3.81 0.00 7.99 0.10 -4.94 117.00 112.18 1noe n LEU 17 Ca 0.15 0.56 -0.31 0.00 -0.01 0.00 0.00 56.01 56.41 1noe n LEU 17 Cb 0.36 -0.35 0.02 0.00 -0.11 0.00 0.00 43.42 43.34 1noe n LEU 17 CO 0.23 -0.15 -0.13 0.29 -1.51 0.00 0.00 177.39 176.12 1noe n LYS 18 N -2.12 -1.83 -2.77 3.23 5.02 -0.10 -0.37 118.16 119.20 1noe n LYS 18 Ca 0.06 0.40 -0.43 0.00 -2.02 0.00 0.00 58.31 56.32 1noe n LYS 18 Cb 0.41 -4.11 -0.03 0.00 -0.02 0.00 0.00 35.03 31.28 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 -3.63 3.00 -0.59 2.13 5.04 0.11 -3.95 117.35 119.46 1noe s TYR 19 Ca 0.32 0.67 0.24 0.00 -2.44 0.00 0.00 57.07 55.86 1noe s TYR 19 Cb -0.12 -3.85 0.36 0.00 0.35 0.00 0.00 41.96 38.69 1noe s TYR 19 CO 0.88 -0.97 1.36 -0.97 -1.34 0.00 0.00 175.55 174.52 1noe h ASN 20 N 8.74 0.00 0.00 4.32 -1.24 -1.57 -3.43 115.58 122.40 1noe h ASN 20 Ca -0.23 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.63 1noe h ASN 20 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.12 1noe h ASN 20 CO 1.02 0.07 0.00 1.67 -1.29 0.00 0.00 177.43 178.90 1noe n GLN 21 N -2.26 0.00 -3.64 6.67 0.00 -1.26 -4.82 117.38 112.08 1noe n GLN 21 Ca 0.03 0.00 -0.38 0.00 -0.00 0.00 0.00 57.00 56.65 1noe n GLN 21 Cb 0.46 -0.16 -0.11 0.00 0.00 0.00 0.00 30.24 30.43 1noe n GLN 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1noe s ASP 22 N 0.00 5.66 0.46 1.69 2.15 -1.26 -2.68 116.67 122.69 1noe s ASP 22 Ca 0.00 -0.34 0.18 0.00 0.43 0.00 0.00 52.55 52.81 1noe s ASP 22 Cb 0.00 -2.04 1.08 0.00 -0.30 0.00 0.00 42.92 41.67 1noe s ASP 22 CO 0.00 -0.14 1.99 0.00 -0.17 0.00 0.00 175.17 176.85 1noe h ALA 23 N 8.36 1.55 -0.26 3.66 0.00 -0.83 -1.03 119.26 130.71 1noe h ALA 23 Ca -0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1noe h ALA 23 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1noe h ALA 23 CO 0.60 0.24 0.08 1.79 0.00 0.00 0.00 179.25 181.95 1noe h THR 24 N 0.00 1.20 0.00 0.00 1.35 -1.94 -2.99 112.91 110.53 1noe h THR 24 Ca -0.00 -0.64 -0.16 0.00 -0.55 0.00 0.00 66.41 65.05 1noe h THR 24 Cb 0.37 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1noe h THR 24 CO 0.02 0.21 -0.77 0.11 -0.25 0.00 0.00 175.52 174.85 1noe h LYS 25 N 0.25 0.00 -4.73 4.72 1.57 -1.96 -3.48 116.57 112.94 1noe h LYS 25 Ca 0.08 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.34 1noe h LYS 25 Cb 0.25 0.00 0.09 0.00 0.08 0.00 0.00 32.23 32.65 1noe h LYS 25 CO -0.00 0.77 -0.48 0.45 -0.57 0.00 0.00 179.45 179.62 1noe n SER 26 N -3.46 -1.24 0.00 0.86 2.88 -0.40 -4.83 113.62 107.43 1noe n SER 26 Ca -0.00 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1noe n SER 26 Cb 0.79 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 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 0.84 0.00 -0.33 -1.46 0.00 -1.26 -3.49 120.64 114.94 1noe n GLU 27 Ca 0.13 0.34 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1noe n GLU 27 Cb 0.22 -1.51 0.24 0.00 0.00 0.00 0.00 31.44 30.39 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 -1.33 -0.08 -0.28 3.44 1.85 -1.26 -0.29 116.66 118.71 1noe n ARG 28 Ca 0.00 1.42 0.06 0.00 -1.00 0.00 0.00 57.85 58.33 1noe n ARG 28 Cb 0.01 -2.22 0.16 0.00 -1.05 0.00 0.00 32.46 29.37 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 0.23 0.12 8.89 2.07 -1.87 0.36 116.25 126.04 1noe h VAL 29 Ca 0.54 -0.02 -0.18 0.00 0.82 0.00 0.00 66.70 67.86 1noe h VAL 29 Cb 1.04 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1noe h VAL 29 CO -0.90 0.01 -0.84 0.00 0.02 0.00 0.00 177.57 175.86 1noe h ALA 30 N 1.80 -0.03 0.00 1.67 0.00 -0.95 -3.35 119.26 118.39 1noe h ALA 30 Ca 0.44 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1noe h ALA 30 Cb 0.78 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1noe h ALA 30 CO -0.77 0.42 -0.13 0.00 0.00 0.00 0.00 179.25 178.77 1noe h ALA 31 N 0.04 1.19 -5.67 0.00 0.00 -0.19 -3.47 119.26 111.16 1noe h ALA 31 Ca -0.16 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 1noe h ALA 31 Cb 1.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 1noe h ALA 31 CO 0.11 0.16 -0.42 0.00 0.00 0.00 0.00 179.25 179.10 1noe n ALA 32 N -2.24 -1.68 -1.57 0.00 0.00 0.12 -4.86 120.51 110.28 1noe n ALA 32 Ca -0.01 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 1noe n ALA 32 Cb 0.27 -0.25 0.07 0.00 0.00 0.00 0.00 19.45 19.54 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 -3.12 2.46 0.95 0.00 3.00 -1.26 -4.96 118.95 116.02 1noe s ARG 33 Ca 0.00 1.89 -0.12 0.00 0.00 0.00 0.00 55.73 57.50 1noe s ARG 33 Cb -0.00 -1.86 0.16 0.00 0.00 0.00 0.00 34.95 33.26 1noe s ARG 33 CO 0.33 -1.62 1.09 -1.25 0.00 0.00 0.00 175.30 173.85 1noe s PRO 34 N -3.60 0.78 0.00 3.54 0.04 -1.26 -4.29 135.00 130.21 1noe s PRO 34 Ca 0.78 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1noe s PRO 34 Cb -0.32 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1noe s PRO 34 CO 0.41 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 175.29 1noe n GLY 35 N -0.79 2.63 3.15 0.56 0.00 -1.26 -4.47 105.19 105.01 1noe n GLY 35 Ca 0.06 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 1.47 0.52 0.99 2.96 -1.26 -5.07 118.68 118.30 1noe s LEU 36 Ca 0.00 -0.32 -0.20 0.00 -0.22 0.00 0.00 54.13 53.39 1noe s LEU 36 Cb 0.00 0.82 -0.06 0.00 0.50 0.00 0.00 46.19 47.45 1noe s LEU 36 CO 0.00 -0.48 1.16 -2.16 -1.32 0.00 0.00 176.35 173.55 1noe s PRO 37 N -2.12 3.42 0.30 0.98 0.04 -1.26 -4.72 135.00 131.65 1noe s PRO 37 Ca -0.09 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.72 1noe s PRO 37 Cb -0.03 -2.12 0.78 0.00 0.04 0.00 0.00 34.50 33.16 1noe s PRO 37 CO -0.02 -0.82 1.72 -1.00 0.04 0.00 0.00 177.00 176.93 1noe h PRO 38 N 1.43 0.51 -0.77 0.56 0.13 -1.86 0.87 132.00 132.87 1noe h PRO 38 Ca -0.50 -0.03 0.17 0.00 -0.87 0.00 0.00 66.00 64.77 1noe h PRO 38 Cb 1.26 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 1noe h PRO 38 CO 0.58 0.34 0.52 0.93 -0.23 0.00 0.00 178.00 180.14 1noe h GLU 39 N 0.53 0.31 -0.51 0.86 3.07 -1.92 0.69 114.58 117.61 1noe h GLU 39 Ca 0.59 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 1noe h GLU 39 Cb 1.08 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 1noe h GLU 39 CO -0.48 0.20 0.00 0.39 -1.40 0.00 0.00 179.01 177.72 1noe n GLU 40 N -4.45 2.18 -3.90 2.33 1.02 0.29 -4.91 120.64 113.20 1noe n GLU 40 Ca 0.15 -1.81 -0.36 0.00 -0.02 0.00 0.00 57.16 55.12 1noe n GLU 40 Cb 0.62 -1.40 -0.07 0.00 -0.02 0.00 0.00 31.44 30.57 1noe n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1noe s GLN 41 N -1.34 3.63 -0.06 3.49 -0.21 0.23 -4.94 119.66 120.46 1noe s GLN 41 Ca 0.34 -0.20 -0.31 0.00 0.02 0.00 0.00 55.36 55.21 1noe s GLN 41 Cb 0.18 -3.21 0.11 0.00 1.00 0.00 0.00 33.01 31.09 1noe s GLN 41 CO 0.23 0.61 1.08 -3.38 -2.12 0.00 0.00 175.29 171.71 1noe s HIS 42 N -0.56 -0.19 0.34 0.91 -3.43 -1.26 -4.90 115.29 106.20 1noe s HIS 42 Ca 0.12 0.07 0.13 0.00 -0.80 0.00 0.00 55.06 54.59 1noe s HIS 42 Cb -0.12 0.54 1.04 0.00 -1.43 0.00 0.00 32.58 32.61 1noe s HIS 42 CO 0.02 -0.40 1.68 0.00 -2.00 0.00 0.00 174.74 174.04 1noe h ALA 44 N 1.81 2.71 -0.43 0.00 0.00 -1.26 0.49 119.26 122.57 1noe h ALA 44 Ca 0.71 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.65 1noe h ALA 44 Cb 1.56 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1noe h ALA 44 CO -0.56 -1.16 0.00 0.09 0.00 0.00 0.00 179.25 177.62 1noe n ASN 45 N -4.47 3.45 -4.67 0.00 3.02 0.43 -4.99 115.26 108.04 1noe n ASN 45 Ca 0.29 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.46 1noe n ASN 45 Cb 1.19 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 40.05 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 7.38 0.30 -0.00 0.00 -0.00 -1.19 -2.00 115.11 119.61 1noe h GLN 47 Ca -0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.37 1noe h GLN 47 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.52 1noe h GLN 47 CO 0.88 0.20 -0.03 1.19 0.00 0.00 0.00 178.83 181.07 1noe n PHE 48 N -5.12 0.00 -2.25 3.99 3.72 -1.26 -4.91 117.46 111.63 1noe n PHE 48 Ca 0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 1noe n PHE 48 Cb 0.70 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 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 -2.40 4.34 -1.04 -1.08 1.75 -0.75 -3.64 119.30 116.48 1noe s MET 49 Ca 0.33 1.96 -0.22 0.00 -1.25 0.00 0.00 55.69 56.52 1noe s MET 49 Cb 0.21 -3.36 0.07 0.00 2.84 0.00 0.00 34.83 34.59 1noe s MET 49 CO 0.44 -0.42 1.42 1.14 -0.65 0.00 0.00 175.02 176.95 1noe s GLN 50 N 1.43 3.64 0.24 4.11 -2.07 0.66 -4.82 119.66 122.86 1noe s GLN 50 Ca 0.63 -1.34 -0.04 0.00 -1.82 0.00 0.00 55.36 52.78 1noe s GLN 50 Cb -0.33 -5.30 0.40 0.00 -1.09 0.00 0.00 33.01 26.69 1noe s GLN 50 CO 0.29 -2.13 1.81 0.00 -1.32 0.00 0.00 175.29 173.93 1noe h ALA 51 N 9.37 1.17 -0.11 2.60 0.00 -1.93 -2.18 119.26 128.18 1noe h ALA 51 Ca 0.22 0.04 -0.63 0.00 0.00 0.00 0.00 54.91 54.54 1noe h ALA 51 Cb 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1noe h ALA 51 CO 1.37 0.08 3.11 -3.47 0.00 0.00 0.00 179.25 180.35 1noe n ASP 52 N -4.75 8.24 -4.77 0.00 2.03 -1.26 -4.59 116.55 111.45 1noe n ASP 52 Ca 0.14 -2.66 -0.39 0.00 0.52 0.00 0.00 54.79 52.39 1noe n ASP 52 Cb 0.29 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.12 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 1.45 3.36 -1.03 -1.67 0.00 -1.13 -4.96 121.76 117.79 1noe s ALA 53 Ca 0.67 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 1noe s ALA 53 Cb 0.20 -3.09 -0.13 0.00 0.00 0.00 0.00 23.12 20.10 1noe s ALA 53 CO -0.06 0.24 2.08 0.00 0.00 0.00 0.00 175.76 178.02 1noe s ALA 54 N -1.27 1.16 0.00 0.00 0.00 -1.26 -0.84 121.76 119.55 1noe s ALA 54 Ca 0.41 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1noe s ALA 54 Cb -0.23 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.25 1noe s ALA 54 CO 0.28 -5.80 0.00 0.41 0.00 0.00 0.00 175.76 170.65 1noe n GLY 55 N 6.30 1.41 3.62 0.00 0.00 -1.26 -4.96 105.19 110.31 1noe n GLY 55 Ca 0.43 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 -0.21 -2.65 4.61 0.00 -0.02 -5.01 120.51 117.23 1noe n ALA 56 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 1noe n ALA 56 Cb 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 19.45 17.25 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 -1.85 0.12 0.18 0.00 -1.32 0.20 -5.01 115.64 107.96 1noe s THR 57 Ca 0.73 -1.17 -0.24 0.00 -1.21 0.00 0.00 61.69 59.81 1noe s THR 57 Cb -0.34 -1.45 0.08 0.00 -1.51 0.00 0.00 72.50 69.28 1noe s THR 57 CO 0.50 -0.52 1.56 0.44 -2.21 0.00 0.00 174.62 174.39 1noe h ASP 58 N 2.65 -1.56 0.54 8.08 3.32 -2.00 0.22 116.42 127.67 1noe h ASP 58 Ca -0.33 0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1noe h ASP 58 Cb 1.21 0.73 -0.01 0.00 0.22 0.00 0.00 39.33 41.49 1noe h ASP 58 CO 0.53 -0.31 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.21 1noe h GLU 59 N -0.13 0.00 -3.35 3.56 5.08 -1.98 -3.43 114.58 114.33 1noe h GLU 59 Ca 0.22 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.06 1noe h GLU 59 Cb 0.55 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.40 1noe h GLU 59 CO -0.80 0.20 -0.76 -1.58 -1.00 0.00 0.00 179.01 175.07 1noe s TRP 60 N -4.01 0.92 0.55 4.33 0.52 0.76 -0.73 118.94 121.28 1noe s TRP 60 Ca -0.02 -0.95 0.04 0.00 0.02 0.00 0.00 56.10 55.20 1noe s TRP 60 Cb 0.12 -1.09 0.04 0.00 -1.15 0.00 0.00 33.47 31.39 1noe s TRP 60 CO 0.63 -0.68 0.35 0.15 0.02 0.00 0.00 176.95 177.41 1noe s LYS 61 N 1.89 2.24 -0.01 4.98 3.01 -0.71 -0.63 119.74 130.52 1noe s LYS 61 Ca 0.03 -2.12 0.00 0.00 -1.01 0.00 0.00 55.97 52.88 1noe s LYS 61 Cb -0.17 -1.99 -0.04 0.00 -1.01 0.00 0.00 37.83 34.62 1noe s LYS 61 CO -0.16 -0.62 0.05 0.20 0.51 0.00 0.00 175.35 175.33 1noe s GLY 62 N -4.24 1.97 -0.09 -3.33 0.00 -0.83 -0.24 107.32 100.55 1noe s GLY 62 Ca 0.28 -0.90 -0.04 0.00 0.00 0.00 0.00 44.72 44.06 1noe s GLY 62 CO 0.17 -0.77 0.06 0.00 0.00 0.00 0.00 173.10 172.56 1noe h GLN 64 N 5.05 0.20 -0.00 0.00 4.15 -1.92 0.66 115.11 123.25 1noe h GLN 64 Ca -0.52 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.88 1noe h GLN 64 Cb 1.21 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1noe h GLN 64 CO 0.56 0.13 -0.10 1.28 -1.93 0.00 0.00 178.83 178.77 1noe n LEU 65 N -5.23 0.28 -3.43 -2.39 4.32 -1.26 -4.47 117.00 104.82 1noe n LEU 65 Ca 0.20 0.16 -0.27 0.00 -0.02 0.00 0.00 56.01 56.08 1noe n LEU 65 Cb 0.66 -0.26 -0.08 0.00 -1.62 0.00 0.00 43.42 42.11 1noe n LEU 65 CO 0.07 0.05 0.01 0.49 -1.22 0.00 0.00 177.39 176.79 1noe n PHE 66 N -1.18 2.99 -2.13 -1.77 3.01 0.23 -5.03 117.46 113.58 1noe n PHE 66 Ca 0.12 -4.08 -0.33 0.00 1.01 0.00 0.00 57.45 54.18 1noe n PHE 66 Cb 0.28 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 -2.17 3.46 -1.19 -1.08 0.04 -1.26 -3.73 135.00 129.08 1noe s PRO 67 Ca 0.38 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1noe s PRO 67 Cb 0.13 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1noe s PRO 67 CO -0.04 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.72 1noe n GLY 68 N -1.10 1.14 3.42 0.56 0.00 -1.26 -4.93 105.19 103.02 1noe n GLY 68 Ca 0.08 -0.13 -0.16 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 -2.82 1.85 0.03 1.61 1.02 -1.24 -4.94 119.74 115.24 1noe s LYS 69 Ca 0.00 -1.83 0.02 0.00 0.02 0.00 0.00 55.97 54.18 1noe s LYS 69 Cb 0.00 0.40 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 1noe s LYS 69 CO 0.00 -0.74 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.11 1noe s LEU 70 N -3.27 2.17 -0.08 3.17 1.43 -0.91 -4.76 118.68 116.42 1noe s LEU 70 Ca 0.34 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1noe s LEU 70 Cb 0.01 -0.23 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1noe s LEU 70 CO 0.22 -0.09 0.11 0.27 0.23 0.00 0.00 176.35 177.09 1noe s ILE 71 N -0.91 5.15 0.18 -0.59 -0.00 0.67 -0.60 121.20 125.10 1noe s ILE 71 Ca -0.05 -0.03 -0.31 0.00 -0.00 0.00 0.00 60.65 60.25 1noe s ILE 71 Cb -0.07 -3.27 -0.10 0.00 -0.00 0.00 0.00 42.46 39.02 1noe s ILE 71 CO 0.00 0.53 1.54 0.21 -0.00 0.00 0.00 174.94 177.22 1noe s ASN 72 N -1.26 6.60 0.50 4.36 3.84 -1.26 -1.73 114.94 125.99 1noe s ASN 72 Ca 0.18 2.62 0.25 0.00 0.21 0.00 0.00 52.86 56.11 1noe s ASN 72 Cb -0.12 -2.60 1.32 0.00 -0.55 0.00 0.00 41.25 39.30 1noe s ASN 72 CO 0.08 -0.80 2.03 -0.37 -2.79 0.00 0.00 177.10 175.25 1noe h VAL 73 N 3.94 0.66 -0.42 -5.21 -1.51 -1.22 0.27 116.25 112.77 1noe h VAL 73 Ca -0.43 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.40 1noe h VAL 73 Cb 1.21 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 1noe h VAL 73 CO 0.89 0.15 0.00 0.59 -1.23 0.00 0.00 177.57 177.96 1noe n ASN 74 N -3.72 4.42 -3.15 4.19 4.13 -1.26 -0.85 115.26 119.03 1noe n ASN 74 Ca -0.02 -2.66 -0.10 0.00 1.68 0.00 0.00 54.58 53.48 1noe n ASN 74 Cb 0.26 -0.63 0.05 0.00 -1.54 0.00 0.00 39.78 37.92 1noe n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1noe n GLY 75 N 0.47 0.96 3.55 7.41 0.00 0.97 -0.20 105.19 118.34 1noe n GLY 75 Ca 0.20 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.09 -0.44 0.27 1.61 -0.00 -1.26 -0.47 118.94 117.57 1noe s TRP 76 Ca 0.28 0.66 0.02 0.00 -0.00 0.00 0.00 56.10 57.07 1noe s TRP 76 Cb -0.02 0.46 -0.03 0.00 -0.00 0.00 0.00 33.47 33.88 1noe s TRP 76 CO 0.19 -0.45 0.25 -1.54 -0.00 0.00 0.00 176.95 175.39 1noe s SER 77 N -1.42 0.88 0.09 5.86 1.04 -1.26 -1.42 113.70 117.47 1noe s SER 77 Ca -0.03 -1.54 -0.28 0.00 0.48 0.00 0.00 55.95 54.58 1noe s SER 77 Cb -0.00 0.49 -0.14 0.00 0.10 0.00 0.00 66.02 66.47 1noe s SER 77 CO 0.01 -1.00 1.66 0.00 0.98 0.00 0.00 173.24 174.90 1noe h ALA 78 N 2.34 -0.51 -0.23 5.32 0.00 -0.83 -3.13 119.26 122.23 1noe h ALA 78 Ca -0.30 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 53.99 1noe h ALA 78 Cb 1.24 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1noe h ALA 78 CO 0.43 -0.80 1.88 -1.13 0.00 0.00 0.00 179.25 179.63 1noe n SER 79 N -5.34 7.32 0.00 0.00 3.41 -1.26 -4.66 113.62 113.09 1noe n SER 79 Ca -0.09 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.74 1noe n SER 79 Cb 0.25 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 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 2.46 0.00 -1.82 7.33 -0.00 -1.18 -4.92 117.44 119.30 1noe n TRP 80 Ca 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 58.11 1noe n TRP 80 Cb 0.47 -0.24 -0.00 0.00 -0.00 0.00 0.00 31.31 31.53 1noe n TRP 80 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1noe n THR 81 N -1.22 -8.57 -1.63 5.87 -1.04 -1.26 -3.98 114.28 102.44 1noe n THR 81 Ca 0.00 1.78 -0.52 0.00 -2.04 0.00 0.00 64.05 63.28 1noe n THR 81 Cb 0.00 -4.85 -0.06 0.00 -1.82 0.00 0.00 70.33 63.60 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 1.03 2.16 -4.50 -4.42 -0.00 -1.26 -0.98 117.00 109.03 1noe n LEU 82 Ca -0.04 1.10 -0.41 0.00 -0.00 0.00 0.00 56.01 56.66 1noe n LEU 82 Cb 0.06 -1.24 -0.11 0.00 -0.00 0.00 0.00 43.42 42.13 1noe n LEU 82 CO 0.03 -0.73 2.13 1.17 -0.00 0.00 0.00 177.39 179.99 1noe n LYS 83 N 3.46 0.33 -1.98 1.96 4.81 0.48 -4.51 118.16 122.71 1noe n LYS 83 Ca 0.20 0.01 -0.17 0.00 -0.87 0.00 0.00 58.31 57.48 1noe n LYS 83 Cb 0.20 -2.07 0.04 0.00 0.02 0.00 0.00 35.03 33.23 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 11.79 4.48 0.00 3.14 0.00 -1.26 -4.94 120.51 133.71 1noe n ALA 84 Ca 0.57 -3.56 0.00 0.00 0.00 0.00 0.00 53.44 50.44 1noe n ALA 84 Cb 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91