#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1noe s SER 1 N 0.00 1.52 -0.02 0.00 0.15 -1.26 -5.06 113.70 109.03 1noe s SER 1 Ca 0.00 0.73 0.02 0.00 0.70 0.00 0.00 55.95 57.40 1noe s SER 1 Cb 0.00 -1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 1noe s SER 1 CO 0.00 -3.76 -0.05 0.00 1.20 0.00 0.00 173.24 170.63 1noe s ALA 2 N -3.07 3.09 0.46 5.45 0.00 -1.26 -5.04 121.76 121.39 1noe s ALA 2 Ca 0.70 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 1noe s ALA 2 Cb -0.11 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.71 1noe s ALA 2 CO 0.56 0.61 0.89 -1.25 0.00 0.00 0.00 175.76 176.57 1noe s PRO 3 N -1.29 3.88 0.44 0.00 0.04 -1.26 -4.95 135.00 131.86 1noe s PRO 3 Ca 0.16 0.75 0.22 0.00 0.04 0.00 0.00 61.00 62.18 1noe s PRO 3 Cb -0.11 -2.25 1.20 0.00 0.04 0.00 0.00 34.50 33.38 1noe s PRO 3 CO 0.07 -0.16 1.83 0.00 0.04 0.00 0.00 177.00 178.77 1noe h ALA 4 N 1.09 2.41 -0.84 8.56 0.00 -2.01 0.16 119.26 128.63 1noe h ALA 4 Ca -0.47 0.02 -0.55 0.00 0.00 0.00 0.00 54.91 53.91 1noe h ALA 4 Cb 1.19 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.69 1noe h ALA 4 CO 0.62 -0.73 0.27 0.27 0.00 0.00 0.00 179.25 179.69 1noe n ASN 5 N -4.48 5.70 -4.60 0.00 6.94 -1.26 -4.99 115.26 112.58 1noe n ASN 5 Ca 0.22 -3.76 -0.55 0.00 -0.02 0.00 0.00 54.58 50.47 1noe n ASN 5 Cb 0.85 -0.75 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 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 -0.93 -1.38 -1.73 -2.53 0.00 0.04 -0.44 120.51 113.54 1noe n ALA 6 Ca 0.53 0.51 -0.42 0.00 0.00 0.00 0.00 53.44 54.07 1noe n ALA 6 Cb 0.93 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 1noe n ALA 6 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1noe s VAL 7 N 0.89 2.01 0.13 0.00 1.01 0.66 -4.74 120.40 120.36 1noe s VAL 7 Ca 0.88 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.64 1noe s VAL 7 Cb -1.05 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1noe s VAL 7 CO 0.52 0.00 0.71 0.00 0.00 0.00 0.00 175.10 176.34 1noe s ALA 8 N 0.88 3.49 0.50 5.51 0.00 -1.26 -4.93 121.76 125.95 1noe s ALA 8 Ca 0.72 0.26 0.20 0.00 0.00 0.00 0.00 51.96 53.14 1noe s ALA 8 Cb -0.49 -2.86 1.26 0.00 0.00 0.00 0.00 23.12 21.03 1noe s ALA 8 CO 0.36 0.31 2.03 0.00 0.00 0.00 0.00 175.76 178.46 1noe h ALA 9 N 4.49 2.25 -0.09 0.00 0.00 -1.92 -2.16 119.26 121.82 1noe h ALA 9 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1noe h ALA 9 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1noe h ALA 9 CO 0.66 -0.36 0.00 -3.47 0.00 0.00 0.00 179.25 176.07 1noe n ASP 10 N -4.44 0.55 -3.22 0.00 2.03 -1.26 -2.39 116.55 107.82 1noe n ASP 10 Ca 0.07 -1.86 -0.36 0.00 0.52 0.00 0.00 54.79 53.15 1noe n ASP 10 Cb 0.42 -0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.73 1noe n ASP 10 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1noe n ASP 11 N -0.26 7.89 0.00 1.67 2.03 -0.81 -4.78 116.55 122.29 1noe n ASP 11 Ca 0.07 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.42 1noe n ASP 11 Cb 0.10 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 1noe n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1noe n ALA 12 N 2.17 0.00 -0.32 -1.67 0.00 -1.26 -0.89 120.51 118.54 1noe n ALA 12 Ca 0.64 0.00 0.19 0.00 0.00 0.00 0.00 53.44 54.27 1noe n ALA 12 Cb 0.32 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.16 1noe n ALA 12 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1noe h THR 13 N 0.00 0.33 0.00 0.00 2.02 -1.93 0.13 112.91 113.46 1noe h THR 13 Ca 0.00 -0.10 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1noe h THR 13 Cb 0.00 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.40 1noe h THR 13 CO 0.00 0.06 -0.29 0.00 0.37 0.00 0.00 175.52 175.65 1noe h ALA 14 N 1.81 1.10 0.15 6.16 0.00 -1.22 0.47 119.26 127.74 1noe h ALA 14 Ca 0.65 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1noe h ALA 14 Cb 1.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1noe h ALA 14 CO -0.61 0.37 -0.07 0.82 0.00 0.00 0.00 179.25 179.75 1noe h ILE 15 N 0.00 0.94 -0.25 0.00 2.04 -0.46 0.12 117.51 119.91 1noe h ILE 15 Ca -0.00 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 64.83 1noe h ILE 15 Cb 0.72 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 38.27 1noe h ILE 15 CO 0.04 0.23 -0.24 0.00 0.00 0.00 0.00 178.15 178.18 1noe h ALA 16 N -0.15 -0.11 0.00 1.87 0.00 -0.76 0.55 119.26 120.66 1noe h ALA 16 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1noe h ALA 16 Cb 0.53 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1noe h ALA 16 CO 0.03 -0.66 0.00 1.28 0.00 0.00 0.00 179.25 179.91 1noe n LEU 17 N -5.37 0.63 -3.46 0.00 4.77 0.13 -4.92 117.00 108.77 1noe n LEU 17 Ca -0.01 0.62 -0.18 0.00 -0.03 0.00 0.00 56.01 56.42 1noe n LEU 17 Cb 0.29 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.95 1noe n LEU 17 CO 0.15 -0.42 0.07 0.29 -1.33 0.00 0.00 177.39 176.15 1noe n LYS 18 N -2.16 -5.99 -2.30 3.23 5.02 0.18 -0.12 118.16 116.03 1noe n LYS 18 Ca 0.03 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.72 1noe n LYS 18 Cb 0.28 -5.74 -0.03 0.00 -0.02 0.00 0.00 35.03 29.53 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 -3.42 2.12 -0.21 2.13 5.04 0.22 -4.05 117.35 119.20 1noe s TYR 19 Ca 0.04 0.52 -0.16 0.00 -2.44 0.00 0.00 57.07 55.02 1noe s TYR 19 Cb -0.01 -4.32 -0.04 0.00 0.35 0.00 0.00 41.96 37.94 1noe s TYR 19 CO 0.75 -2.14 0.41 1.21 -1.34 0.00 0.00 175.55 174.44 1noe s ASN 20 N 5.21 6.44 0.35 4.32 2.47 0.30 -4.49 114.94 129.54 1noe s ASN 20 Ca 0.57 0.52 0.06 0.00 0.42 0.00 0.00 52.86 54.42 1noe s ASN 20 Cb -0.12 -2.24 0.73 0.00 -1.45 0.00 0.00 41.25 38.17 1noe s ASN 20 CO 0.24 -0.10 1.94 -0.61 -3.72 0.00 0.00 177.10 174.85 1noe h GLN 21 N 7.46 0.75 -4.40 0.43 4.15 -1.91 0.11 115.11 121.70 1noe h GLN 21 Ca -0.35 -0.05 -0.73 0.00 0.77 0.00 0.00 58.65 58.29 1noe h GLN 21 Cb 1.16 -0.17 -0.23 0.00 0.21 0.00 0.00 27.48 28.45 1noe h GLN 21 CO 0.71 0.50 -0.39 0.34 -1.93 0.00 0.00 178.83 178.07 1noe s ASP 22 N -6.12 6.06 0.44 -0.69 -1.08 -1.26 -2.30 116.67 111.73 1noe s ASP 22 Ca -0.10 -1.18 0.16 0.00 -0.52 0.00 0.00 52.55 50.91 1noe s ASP 22 Cb 0.20 -2.15 1.00 0.00 -1.46 0.00 0.00 42.92 40.51 1noe s ASP 22 CO 0.78 -0.56 1.97 0.00 0.52 0.00 0.00 175.17 177.88 1noe h ALA 23 N 8.66 1.58 -0.64 3.66 0.00 -0.98 0.15 119.26 131.69 1noe h ALA 23 Ca -0.27 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1noe h ALA 23 Cb 1.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1noe h ALA 23 CO 0.81 0.27 0.07 1.79 0.00 0.00 0.00 179.25 182.18 1noe h THR 24 N 0.00 1.26 0.00 0.00 1.35 -1.93 -2.91 112.91 110.68 1noe h THR 24 Ca -0.00 -1.07 -0.12 0.00 -0.55 0.00 0.00 66.41 64.66 1noe h THR 24 Cb 0.39 0.69 -0.02 0.00 -1.73 0.00 0.00 68.15 67.49 1noe h THR 24 CO 0.03 0.40 -0.66 0.11 -0.25 0.00 0.00 175.52 175.14 1noe h LYS 25 N 1.00 0.00 -6.22 4.72 1.57 -1.89 -3.48 116.57 112.27 1noe h LYS 25 Ca 0.19 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.36 1noe h LYS 25 Cb 0.47 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.94 1noe h LYS 25 CO 0.02 0.54 -0.60 0.45 -0.57 0.00 0.00 179.45 179.28 1noe n SER 26 N -3.20 -1.63 0.14 0.86 2.88 0.49 -4.86 113.62 108.31 1noe n SER 26 Ca 0.00 0.86 0.09 0.00 -1.33 0.00 0.00 58.87 58.49 1noe n SER 26 Cb 0.77 -1.03 0.46 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 0.81 0.11 -0.33 -1.46 0.00 -1.26 -3.61 120.64 114.90 1noe n GLU 27 Ca 0.11 0.60 0.10 0.00 0.00 0.00 0.00 57.16 57.97 1noe n GLU 27 Cb 0.40 -1.95 0.21 0.00 0.00 0.00 0.00 31.44 30.10 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 -2.10 -0.08 -0.25 3.44 1.85 -1.26 -0.30 116.66 117.96 1noe n ARG 28 Ca -0.01 1.41 0.05 0.00 -1.00 0.00 0.00 57.85 58.31 1noe n ARG 28 Cb 0.11 -2.18 0.18 0.00 -1.05 0.00 0.00 32.46 29.52 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 0.53 0.11 8.89 2.07 -1.88 0.45 116.25 126.41 1noe h VAL 29 Ca 0.51 -0.10 -0.17 0.00 0.82 0.00 0.00 66.70 67.76 1noe h VAL 29 Cb 0.93 0.23 0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1noe h VAL 29 CO -0.91 0.05 -0.73 0.00 0.02 0.00 0.00 177.57 176.00 1noe h ALA 30 N 1.60 -0.06 0.00 1.67 0.00 -0.95 -3.33 119.26 118.18 1noe h ALA 30 Ca 0.41 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1noe h ALA 30 Cb 0.69 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1noe h ALA 30 CO -0.50 0.35 -0.04 0.00 0.00 0.00 0.00 179.25 179.06 1noe h ALA 31 N 0.13 1.05 -4.43 0.00 0.00 -0.18 -3.47 119.26 112.36 1noe h ALA 31 Ca -0.12 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1noe h ALA 31 Cb 1.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1noe h ALA 31 CO 0.14 0.05 -0.11 0.00 0.00 0.00 0.00 179.25 179.33 1noe n ALA 32 N -2.13 -1.17 -1.28 0.00 0.00 0.15 -4.89 120.51 111.19 1noe n ALA 32 Ca -0.01 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.08 1noe n ALA 32 Cb 0.25 -0.11 0.10 0.00 0.00 0.00 0.00 19.45 19.70 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 -1.73 1.99 0.00 0.00 3.00 -1.26 -4.96 118.95 115.99 1noe s ARG 33 Ca 0.01 1.73 0.00 0.00 0.00 0.00 0.00 55.73 57.47 1noe s ARG 33 Cb -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 34.95 33.13 1noe s ARG 33 CO 0.09 -1.94 0.00 -0.35 0.00 0.00 0.00 175.30 173.10 1noe n PRO 34 N -2.93 -0.23 0.00 3.54 -0.04 -1.26 -4.45 135.00 129.63 1noe n PRO 34 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1noe n PRO 34 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 3.15 1.85 3.11 0.55 0.00 -1.26 -4.79 105.19 107.80 1noe n GLY 35 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 1.58 0.58 0.99 2.96 -1.26 -5.09 118.68 118.45 1noe s LEU 36 Ca 0.00 -0.26 -0.18 0.00 -0.22 0.00 0.00 54.13 53.47 1noe s LEU 36 Cb 0.00 0.67 -0.04 0.00 0.50 0.00 0.00 46.19 47.32 1noe s LEU 36 CO 0.00 -0.40 1.15 -2.16 -1.32 0.00 0.00 176.35 173.63 1noe s PRO 37 N -1.58 3.10 0.30 0.98 0.04 -1.26 -4.76 135.00 131.82 1noe s PRO 37 Ca -0.13 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.62 1noe s PRO 37 Cb -0.07 -1.97 0.77 0.00 0.04 0.00 0.00 34.50 33.28 1noe s PRO 37 CO 0.01 -1.06 1.74 -1.00 0.04 0.00 0.00 177.00 176.72 1noe h PRO 38 N 0.87 0.57 -0.84 0.56 0.13 -1.86 0.16 132.00 131.59 1noe h PRO 38 Ca -0.50 -0.03 0.18 0.00 -0.87 0.00 0.00 66.00 64.78 1noe h PRO 38 Cb 1.27 -0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.22 1noe h PRO 38 CO 0.56 0.38 0.56 0.93 -0.23 0.00 0.00 178.00 180.19 1noe h GLU 39 N 0.59 0.38 -0.99 0.86 3.07 -1.92 0.15 114.58 116.73 1noe h GLU 39 Ca 0.59 -0.02 -0.47 0.00 -0.50 0.00 0.00 59.36 58.95 1noe h GLU 39 Cb 1.04 -0.09 -0.28 0.00 -0.84 0.00 0.00 28.75 28.58 1noe h GLU 39 CO -0.45 0.25 0.60 0.39 -1.40 0.00 0.00 179.01 178.40 1noe n GLU 40 N -4.49 2.25 -5.10 2.33 1.02 0.57 -4.89 120.64 112.33 1noe n GLU 40 Ca 0.17 -2.83 -0.32 0.00 -0.02 0.00 0.00 57.16 54.16 1noe n GLU 40 Cb 0.64 -2.11 -0.16 0.00 -0.02 0.00 0.00 31.44 29.79 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 -3.08 2.88 -0.09 3.49 -0.21 0.54 -4.82 119.66 118.37 1noe s GLN 41 Ca 0.53 -0.83 -0.32 0.00 0.02 0.00 0.00 55.36 54.76 1noe s GLN 41 Cb 0.45 -2.33 0.13 0.00 1.00 0.00 0.00 33.01 32.25 1noe s GLN 41 CO 0.10 0.31 1.26 -3.38 -2.12 0.00 0.00 175.29 171.46 1noe s HIS 42 N 0.04 -0.08 0.32 0.91 -3.43 -1.26 -4.87 115.29 106.91 1noe s HIS 42 Ca -0.08 -0.00 0.09 0.00 -0.80 0.00 0.00 55.06 54.26 1noe s HIS 42 Cb -0.15 0.53 0.88 0.00 -1.43 0.00 0.00 32.58 32.41 1noe s HIS 42 CO 0.05 -0.25 1.71 0.00 -2.00 0.00 0.00 174.74 174.26 1noe h ALA 44 N 1.74 2.48 -0.33 0.00 0.00 -1.12 0.60 119.26 122.63 1noe h ALA 44 Ca 0.64 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1noe h ALA 44 Cb 1.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1noe h ALA 44 CO -0.51 -1.01 0.00 0.09 0.00 0.00 0.00 179.25 177.82 1noe n ASN 45 N -4.68 3.31 -4.76 0.00 3.02 0.63 -4.99 115.26 107.79 1noe n ASN 45 Ca 0.32 -1.96 -0.40 0.00 -0.03 0.00 0.00 54.58 52.51 1noe n ASN 45 Cb 1.17 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 40.07 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 5.21 0.87 -0.13 0.00 -0.00 -0.90 -3.20 115.11 116.97 1noe h GLN 47 Ca -0.45 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.03 1noe h GLN 47 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.48 1noe h GLN 47 CO 0.69 0.58 -0.42 0.74 0.00 0.00 0.00 178.83 180.42 1noe h PHE 48 N 0.89 0.34 0.00 3.99 0.04 -1.93 -3.46 116.94 116.82 1noe h PHE 48 Ca 0.24 -0.10 -0.36 0.00 2.80 0.00 0.00 57.97 60.56 1noe h PHE 48 Cb -0.10 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 37.93 1noe h PHE 48 CO -0.03 0.67 1.01 -0.12 -0.60 0.00 0.00 178.31 179.24 1noe n MET 49 N -4.02 0.00 -2.17 1.51 1.56 -1.21 -4.63 117.12 108.17 1noe n MET 49 Ca -0.02 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 57.11 1noe n MET 49 Cb 0.49 -0.93 -0.05 0.00 2.15 0.00 0.00 33.22 34.89 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 5.05 2.79 0.36 2.12 -2.07 0.75 -4.79 119.66 123.86 1noe s GLN 50 Ca 0.81 -0.62 0.07 0.00 -1.82 0.00 0.00 55.36 53.81 1noe s GLN 50 Cb -0.82 -5.16 0.77 0.00 -1.09 0.00 0.00 33.01 26.71 1noe s GLN 50 CO 0.33 -3.20 1.92 0.00 -1.32 0.00 0.00 175.29 173.03 1noe h ALA 51 N 10.67 1.76 0.00 2.60 0.00 -1.88 -2.47 119.26 129.94 1noe h ALA 51 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1noe h ALA 51 Cb 0.99 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1noe h ALA 51 CO 1.26 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 180.19 1noe n ASP 52 N -4.51 1.74 -4.77 0.00 5.75 -1.26 -4.61 116.55 108.89 1noe n ASP 52 Ca 0.13 -1.14 -0.33 0.00 -0.01 0.00 0.00 54.79 53.44 1noe n ASP 52 Cb 0.32 -0.31 0.04 0.00 -1.03 0.00 0.00 41.12 40.15 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 0.55 2.50 -0.87 2.12 0.00 -1.11 -4.86 121.76 120.08 1noe s ALA 53 Ca 0.00 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.32 1noe s ALA 53 Cb 0.00 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 1noe s ALA 53 CO 0.00 -1.20 2.26 0.00 0.00 0.00 0.00 175.76 176.82 1noe s ALA 54 N -2.21 0.88 0.00 0.00 0.00 -1.26 -0.80 121.76 118.37 1noe s ALA 54 Ca 0.68 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1noe s ALA 54 Cb -0.22 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.31 1noe s ALA 54 CO 0.39 -5.84 0.00 0.41 0.00 0.00 0.00 175.76 170.71 1noe n GLY 55 N 6.68 1.38 3.65 0.00 0.00 -1.26 -4.75 105.19 110.89 1noe n GLY 55 Ca 0.45 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.00 0.65 -2.74 4.61 0.00 0.02 -4.98 120.51 117.08 1noe n ALA 56 Ca 0.00 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.73 1noe n ALA 56 Cb 0.15 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 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 -0.86 0.13 0.15 0.00 -1.32 0.04 -5.00 115.64 108.79 1noe s THR 57 Ca 0.60 -1.11 -0.23 0.00 -1.21 0.00 0.00 61.69 59.74 1noe s THR 57 Cb -0.64 -0.78 0.01 0.00 -1.51 0.00 0.00 72.50 69.58 1noe s THR 57 CO 0.59 -0.61 1.27 0.47 -2.21 0.00 0.00 174.62 174.13 1noe n ASP 58 N 0.95 -0.78 0.12 8.08 9.92 -1.26 0.30 116.55 133.87 1noe n ASP 58 Ca -0.20 1.46 0.01 0.00 -0.53 0.00 0.00 54.79 55.53 1noe n ASP 58 Cb 0.58 -0.23 0.34 0.00 -0.64 0.00 0.00 41.12 41.17 1noe n ASP 58 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1noe h GLU 59 N 0.00 0.21 -4.05 -1.24 5.08 -1.98 -3.43 114.58 109.18 1noe h GLU 59 Ca 0.17 -0.06 -0.60 0.00 -1.00 0.00 0.00 59.36 57.86 1noe h GLU 59 Cb 0.38 -0.02 -0.39 0.00 0.50 0.00 0.00 28.75 29.21 1noe h GLU 59 CO -0.79 0.44 -0.76 -1.58 -1.00 0.00 0.00 179.01 175.33 1noe s TRP 60 N -4.51 2.35 0.15 4.33 0.52 0.15 -0.50 118.94 121.43 1noe s TRP 60 Ca -0.05 -1.99 0.01 0.00 0.02 0.00 0.00 56.10 54.09 1noe s TRP 60 Cb 0.15 -1.92 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1noe s TRP 60 CO 0.74 -0.85 0.04 1.63 0.02 0.00 0.00 176.95 178.54 1noe n LYS 61 N 4.67 1.50 -4.02 4.98 4.01 -0.76 -0.78 118.16 127.76 1noe n LYS 61 Ca -0.04 -1.04 -0.24 0.00 -0.51 0.00 0.00 58.31 56.49 1noe n LYS 61 Cb 0.43 0.22 -0.06 0.00 -0.51 0.00 0.00 35.03 35.11 1noe n LYS 61 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1noe s GLY 62 N -1.99 2.20 0.00 0.72 0.00 -0.95 -0.03 107.32 107.28 1noe s GLY 62 Ca 0.03 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.75 1noe s GLY 62 CO 0.02 -1.84 0.00 0.00 0.00 0.00 0.00 173.10 171.28 1noe n GLN 64 N 0.00 0.00 0.00 0.00 6.02 -1.26 -0.18 117.38 121.96 1noe n GLN 64 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1noe n GLN 64 Cb 0.00 0.00 0.25 0.00 1.02 0.00 0.00 30.24 31.51 1noe n GLN 64 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1noe n LEU 65 N -3.38 0.00 -3.50 1.08 4.32 -1.26 -4.12 117.00 110.13 1noe n LEU 65 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 56.01 55.72 1noe n LEU 65 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 1noe n LEU 65 CO 0.00 0.00 0.06 0.49 -1.22 0.00 0.00 177.39 176.72 1noe n PHE 66 N -0.67 3.58 -1.96 -1.77 3.01 -1.26 -5.08 117.46 113.32 1noe n PHE 66 Ca 0.06 -4.19 -0.31 0.00 1.01 0.00 0.00 57.45 54.03 1noe n PHE 66 Cb 0.03 -0.57 0.01 0.00 -0.01 0.00 0.00 39.48 38.93 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 -2.31 3.63 0.00 -1.08 0.04 -1.26 -4.29 135.00 129.73 1noe s PRO 67 Ca 0.37 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1noe s PRO 67 Cb 0.12 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1noe s PRO 67 CO -0.04 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1noe n GLY 68 N -2.62 1.19 3.78 0.56 0.00 -1.26 -4.85 105.19 101.98 1noe n GLY 68 Ca 0.06 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 1.47 -0.00 1.61 1.02 -1.26 -4.88 119.74 117.69 1noe s LYS 69 Ca 0.00 0.49 0.03 0.00 0.02 0.00 0.00 55.97 56.51 1noe s LYS 69 Cb 0.00 -1.86 -0.01 0.00 -0.52 0.00 0.00 37.83 35.44 1noe s LYS 69 CO 0.00 -2.01 -0.10 -0.51 -0.92 0.00 0.00 175.35 171.81 1noe s LEU 70 N -5.98 2.03 0.01 3.17 1.43 0.42 -4.81 118.68 114.95 1noe s LEU 70 Ca 0.63 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.47 1noe s LEU 70 Cb -0.15 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1noe s LEU 70 CO 0.54 0.11 0.28 0.27 0.23 0.00 0.00 176.35 177.78 1noe s ILE 71 N -0.27 5.29 0.11 -0.59 -0.00 0.95 -0.24 121.20 126.44 1noe s ILE 71 Ca 0.03 0.19 -0.31 0.00 -0.00 0.00 0.00 60.65 60.57 1noe s ILE 71 Cb -0.04 -3.57 -0.08 0.00 -0.00 0.00 0.00 42.46 38.77 1noe s ILE 71 CO -0.00 0.37 1.44 0.21 -0.00 0.00 0.00 174.94 176.96 1noe s ASN 72 N -1.69 6.77 0.53 4.36 3.84 -1.26 -1.83 114.94 125.66 1noe s ASN 72 Ca 0.28 2.37 0.23 0.00 0.21 0.00 0.00 52.86 55.94 1noe s ASN 72 Cb -0.13 -2.58 1.37 0.00 -0.55 0.00 0.00 41.25 39.35 1noe s ASN 72 CO 0.16 -0.71 2.04 -0.37 -2.79 0.00 0.00 177.10 175.43 1noe h VAL 73 N 4.33 0.80 -0.63 -5.21 -1.51 -1.08 0.18 116.25 113.12 1noe h VAL 73 Ca -0.42 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 64.89 1noe h VAL 73 Cb 1.20 0.81 -0.10 0.00 -2.13 0.00 0.00 31.29 31.08 1noe h VAL 73 CO 0.88 0.00 0.21 0.59 -1.23 0.00 0.00 177.57 178.02 1noe n ASN 74 N -4.40 4.60 -5.02 4.19 3.02 -1.26 -0.60 115.26 115.79 1noe n ASN 74 Ca 0.06 -3.02 -0.21 0.00 -0.03 0.00 0.00 54.58 51.38 1noe n ASN 74 Cb 0.45 -0.71 0.05 0.00 -0.61 0.00 0.00 39.78 38.96 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 -0.79 1.83 0.01 7.41 0.00 0.62 -0.52 107.32 115.87 1noe s GLY 75 Ca 0.48 -2.01 -0.20 0.00 0.00 0.00 0.00 44.72 42.98 1noe s GLY 75 CO 0.12 -1.74 0.45 0.86 0.00 0.00 0.00 173.10 172.80 1noe s TRP 76 N -2.70 -0.35 0.09 1.90 -0.00 0.02 -0.41 118.94 117.51 1noe s TRP 76 Ca 0.57 0.47 0.02 0.00 -0.00 0.00 0.00 56.10 57.16 1noe s TRP 76 Cb -0.05 0.24 -0.04 0.00 -0.00 0.00 0.00 33.47 33.62 1noe s TRP 76 CO 0.36 -0.53 -0.07 -1.54 -0.00 0.00 0.00 176.95 175.17 1noe s SER 77 N -1.61 1.11 -0.23 5.86 1.04 -1.26 -0.54 113.70 118.07 1noe s SER 77 Ca -0.09 -0.99 -0.29 0.00 0.48 0.00 0.00 55.95 55.06 1noe s SER 77 Cb -0.02 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1noe s SER 77 CO 0.03 -0.46 1.65 0.00 0.98 0.00 0.00 173.24 175.44 1noe s ALA 78 N -3.53 3.22 0.00 5.32 0.00 0.84 -1.10 121.76 126.51 1noe s ALA 78 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1noe s ALA 78 Cb 0.05 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1noe s ALA 78 CO -0.05 -2.04 0.00 0.43 0.00 0.00 0.00 175.76 174.10 1noe n SER 79 N 8.70 0.00 -4.54 0.00 7.64 -1.26 -4.81 113.62 119.35 1noe n SER 79 Ca 0.19 0.00 -0.52 0.00 1.01 0.00 0.00 58.87 59.55 1noe n SER 79 Cb 0.45 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.49 1.01 -4.10 1.43 -0.00 -0.26 -4.99 117.44 109.04 1noe n TRP 80 Ca 0.00 0.79 -0.25 0.00 -0.00 0.00 0.00 57.50 58.04 1noe n TRP 80 Cb 0.00 -2.21 -0.17 0.00 -0.00 0.00 0.00 31.31 28.93 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 -0.05 0.95 0.08 5.87 2.01 -1.26 -4.99 115.64 118.25 1noe s THR 81 Ca 0.80 -0.29 -0.35 0.00 0.31 0.00 0.00 61.69 62.16 1noe s THR 81 Cb -0.99 -0.95 -0.14 0.00 0.01 0.00 0.00 72.50 70.42 1noe s THR 81 CO 0.52 0.34 1.58 -0.11 -0.69 0.00 0.00 174.62 176.27 1noe n LEU 82 N 4.58 2.78 -4.55 4.42 -0.00 -1.26 -0.34 117.00 122.62 1noe n LEU 82 Ca -0.16 1.07 -0.25 0.00 -0.00 0.00 0.00 56.01 56.67 1noe n LEU 82 Cb 0.51 -1.35 -0.06 0.00 -0.00 0.00 0.00 43.42 42.52 1noe n LEU 82 CO 0.19 -0.43 1.66 1.17 -0.00 0.00 0.00 177.39 179.98 1noe n LYS 83 N 3.87 0.76 -0.03 1.96 4.81 0.50 -4.41 118.16 125.61 1noe n LYS 83 Ca 0.19 -0.40 0.13 0.00 -0.87 0.00 0.00 58.31 57.36 1noe n LYS 83 Cb 0.26 -3.45 0.45 0.00 0.02 0.00 0.00 35.03 32.30 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 16.87 2.55 -0.97 3.14 0.00 -1.26 -4.91 120.51 135.92 1noe n ALA 84 Ca 0.43 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1noe n ALA 84 Cb 0.47 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91