#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 0.90 -4.81 0.00 7.64 -1.26 -4.90 113.62 111.19 1noe n SER 1 Ca 0.00 0.85 -0.34 0.00 1.01 0.00 0.00 58.87 60.39 1noe n SER 1 Cb 0.00 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.25 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 4.84 3.11 0.82 -0.43 0.00 -1.26 -5.06 121.76 123.78 1noe s ALA 2 Ca 1.13 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.37 1noe s ALA 2 Cb -1.48 -3.12 0.08 0.00 0.00 0.00 0.00 23.12 18.60 1noe s ALA 2 CO 0.71 0.16 1.10 -1.25 0.00 0.00 0.00 175.76 176.47 1noe s PRO 3 N -2.88 1.92 0.38 0.00 0.04 -1.26 -4.96 135.00 128.23 1noe s PRO 3 Ca 0.58 0.69 0.05 0.00 0.04 0.00 0.00 61.00 62.37 1noe s PRO 3 Cb -0.11 -1.89 0.74 0.00 0.04 0.00 0.00 34.50 33.27 1noe s PRO 3 CO 0.16 -1.75 1.99 0.00 0.04 0.00 0.00 177.00 177.44 1noe h ALA 4 N -1.19 1.57 -0.03 8.56 0.00 -2.01 -3.31 119.26 122.86 1noe h ALA 4 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1noe h ALA 4 Cb 1.27 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1noe h ALA 4 CO 0.58 0.35 0.00 0.27 0.00 0.00 0.00 179.25 180.45 1noe n ASN 5 N -4.41 0.00 -0.93 0.00 6.94 -1.26 -4.94 115.26 110.67 1noe n ASN 5 Ca 0.03 0.47 -0.09 0.00 -0.02 0.00 0.00 54.58 54.97 1noe n ASN 5 Cb 0.11 -0.49 -0.04 0.00 -2.36 0.00 0.00 39.78 37.00 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 -2.01 -0.14 -2.04 -2.53 0.00 -1.24 -3.32 120.51 109.23 1noe n ALA 6 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1noe n ALA 6 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -1.70-10.12 -1.68 0.00 0.31 -0.85 -4.60 118.33 99.69 1noe n VAL 7 Ca -0.09 3.19 -0.43 0.00 -0.01 0.00 0.00 64.34 67.00 1noe n VAL 7 Cb 0.41 -4.66 -0.03 0.00 -0.91 0.00 0.00 33.84 28.65 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 -1.28 2.93 -1.98 3.52 0.00 -1.21 -4.84 121.76 118.90 1noe s ALA 8 Ca 0.00 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.87 1noe s ALA 8 Cb 0.00 -4.01 0.54 0.00 0.00 0.00 0.00 23.12 19.65 1noe s ALA 8 CO 0.00 -2.50 1.00 0.00 0.00 0.00 0.00 175.76 174.26 1noe n ALA 9 N 10.60 1.83 -0.20 0.00 0.00 -1.26 -0.63 120.51 130.85 1noe n ALA 9 Ca 0.27 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.69 1noe n ALA 9 Cb 0.44 -1.15 0.09 0.00 0.00 0.00 0.00 19.45 18.84 1noe n ALA 9 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1noe n ASP 10 N -1.01 2.56 -4.76 0.00 2.03 -1.26 -4.59 116.55 109.52 1noe n ASP 10 Ca 0.07 -2.12 -0.41 0.00 0.52 0.00 0.00 54.79 52.85 1noe n ASP 10 Cb 0.03 -0.16 -0.02 0.00 -0.72 0.00 0.00 41.12 40.25 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 6.72 0.38 1.67 -1.08 0.20 -4.81 116.67 118.59 1noe s ASP 11 Ca 0.15 2.69 0.20 0.00 -0.52 0.00 0.00 52.55 55.07 1noe s ASP 11 Cb 0.09 -2.64 1.22 0.00 -1.46 0.00 0.00 42.92 40.13 1noe s ASP 11 CO 0.08 -0.60 1.65 0.00 0.52 0.00 0.00 175.17 176.82 1noe h ALA 12 N 3.94 2.24 -0.10 3.66 0.00 -1.96 0.43 119.26 127.47 1noe h ALA 12 Ca -0.48 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1noe h ALA 12 Cb 1.22 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1noe h ALA 12 CO 0.69 -0.86 -0.02 1.15 0.00 0.00 0.00 179.25 180.21 1noe h THR 13 N 0.22 1.29 -0.63 0.00 2.02 -1.94 0.95 112.91 114.81 1noe h THR 13 Ca 0.76 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1noe h THR 13 Cb 2.00 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 70.08 1noe h THR 13 CO -0.54 0.26 0.42 0.00 0.37 0.00 0.00 175.52 176.03 1noe h ALA 14 N 0.69 1.59 0.35 6.16 0.00 -0.53 -0.15 119.26 127.37 1noe h ALA 14 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1noe h ALA 14 Cb 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1noe h ALA 14 CO 0.01 0.36 -0.17 0.82 0.00 0.00 0.00 179.25 180.27 1noe h ILE 15 N 0.82 0.00 -0.41 0.00 2.04 -0.77 0.42 117.51 119.60 1noe h ILE 15 Ca 0.24 -0.31 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1noe h ILE 15 Cb -0.03 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 35.97 1noe h ILE 15 CO -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.00 1noe h ALA 16 N -1.48 0.28 0.00 1.87 0.00 -0.68 0.10 119.26 119.37 1noe h ALA 16 Ca -0.05 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1noe h ALA 16 Cb 0.36 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1noe h ALA 16 CO 0.08 -0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.16 1noe n LEU 17 N -5.30 0.00 -3.51 0.00 4.77 -0.08 -4.93 117.00 107.95 1noe n LEU 17 Ca 0.03 0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 56.11 1noe n LEU 17 Cb 0.23 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 1noe n LEU 17 CO 0.15 -0.01 0.04 0.29 -1.33 0.00 0.00 177.39 176.53 1noe n LYS 18 N -1.29 -5.43 -2.17 3.23 5.02 0.02 -0.25 118.16 117.29 1noe n LYS 18 Ca 0.14 0.76 -0.40 0.00 -2.02 0.00 0.00 58.31 56.79 1noe n LYS 18 Cb 0.24 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 29.64 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 -3.47 1.85 -0.53 2.13 5.04 0.07 -4.34 117.35 118.10 1noe s TYR 19 Ca 0.06 0.60 0.24 0.00 -2.44 0.00 0.00 57.07 55.54 1noe s TYR 19 Cb -0.01 -4.22 0.54 0.00 0.35 0.00 0.00 41.96 38.62 1noe s TYR 19 CO 0.76 -2.27 1.68 -0.97 -1.34 0.00 0.00 175.55 173.41 1noe h ASN 20 N 13.49 0.00 0.00 4.32 -1.24 -1.69 -3.47 115.58 126.99 1noe h ASN 20 Ca -0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1noe h ASN 20 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 1noe h ASN 20 CO 1.21 0.00 0.00 1.67 -1.29 0.00 0.00 177.43 179.02 1noe n GLN 21 N -2.79 0.00 -3.84 6.67 7.27 -1.23 -4.84 117.38 118.62 1noe n GLN 21 Ca 0.04 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.76 1noe n GLN 21 Cb 0.48 -0.80 -0.13 0.00 2.41 0.00 0.00 30.24 32.20 1noe n GLN 21 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1noe s ASP 22 N 0.00 5.07 0.17 1.69 -1.08 -1.25 -3.89 116.67 117.38 1noe s ASP 22 Ca 0.00 -1.48 -0.10 0.00 -0.52 0.00 0.00 52.55 50.45 1noe s ASP 22 Cb 0.00 -1.77 0.05 0.00 -1.46 0.00 0.00 42.92 39.73 1noe s ASP 22 CO 0.00 -0.36 1.62 0.00 0.52 0.00 0.00 175.17 176.95 1noe h ALA 23 N 8.05 0.77 -0.91 3.66 0.00 -0.14 0.12 119.26 130.81 1noe h ALA 23 Ca -0.19 -0.31 0.17 0.00 0.00 0.00 0.00 54.91 54.57 1noe h ALA 23 Cb 1.06 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 1noe h ALA 23 CO 0.59 0.62 0.49 1.79 0.00 0.00 0.00 179.25 182.74 1noe h THR 24 N 0.90 0.70 0.08 0.00 1.35 -1.91 -1.93 112.91 112.11 1noe h THR 24 Ca 0.16 -0.22 -0.25 0.00 -0.55 0.00 0.00 66.41 65.54 1noe h THR 24 Cb 0.58 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.98 1noe h THR 24 CO 0.03 0.12 -1.15 0.50 -0.25 0.00 0.00 175.52 174.77 1noe h LYS 25 N 0.65 0.19 -5.59 4.72 3.64 -1.88 -3.49 116.57 114.83 1noe h LYS 25 Ca 0.51 -0.32 -0.60 0.00 -1.27 0.00 0.00 60.65 58.97 1noe h LYS 25 Cb 0.77 0.12 0.13 0.00 -0.41 0.00 0.00 32.23 32.83 1noe h LYS 25 CO -0.38 1.15 -0.71 0.45 -2.27 0.00 0.00 179.45 177.68 1noe n SER 26 N -3.49 -2.01 0.00 4.20 2.88 0.40 -4.85 113.62 110.76 1noe n SER 26 Ca -0.06 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1noe n SER 26 Cb 0.99 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 1.11 0.00 -0.32 -1.46 0.00 -1.26 -3.58 120.64 115.13 1noe n GLU 27 Ca 0.13 0.37 0.10 0.00 0.00 0.00 0.00 57.16 57.76 1noe n GLU 27 Cb 0.31 -1.55 0.21 0.00 0.00 0.00 0.00 31.44 30.41 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 -1.36 -0.08 -0.26 3.44 1.85 -1.26 -0.21 116.66 118.79 1noe n ARG 28 Ca 0.00 1.38 0.06 0.00 -1.00 0.00 0.00 57.85 58.29 1noe n ARG 28 Cb 0.05 -2.14 0.17 0.00 -1.05 0.00 0.00 32.46 29.49 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 0.34 0.12 8.89 2.07 -1.87 0.37 116.25 126.18 1noe h VAL 29 Ca 0.51 -0.04 -0.17 0.00 0.82 0.00 0.00 66.70 67.82 1noe h VAL 29 Cb 0.95 0.21 0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1noe h VAL 29 CO -0.89 0.02 -0.74 0.00 0.02 0.00 0.00 177.57 175.99 1noe h ALA 30 N 1.71 -0.07 0.00 1.67 0.00 -0.89 -3.33 119.26 118.35 1noe h ALA 30 Ca 0.43 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1noe h ALA 30 Cb 0.76 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1noe h ALA 30 CO -0.66 0.35 -0.13 0.00 0.00 0.00 0.00 179.25 178.81 1noe h ALA 31 N 0.10 1.31 -4.88 0.00 0.00 -0.28 -3.47 119.26 112.05 1noe h ALA 31 Ca -0.13 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 1noe h ALA 31 Cb 1.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1noe h ALA 31 CO 0.14 0.16 -0.41 0.00 0.00 0.00 0.00 179.25 179.13 1noe n ALA 32 N -2.30 -1.58 -1.47 0.00 0.00 0.12 -4.91 120.51 110.38 1noe n ALA 32 Ca -0.02 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 1noe n ALA 32 Cb 0.24 -0.45 0.08 0.00 0.00 0.00 0.00 19.45 19.32 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 -2.24 2.33 0.00 0.00 3.00 -1.26 -4.98 118.95 115.80 1noe s ARG 33 Ca 0.05 1.80 0.00 0.00 0.00 0.00 0.00 55.73 57.59 1noe s ARG 33 Cb -0.01 -1.85 0.00 0.00 0.00 0.00 0.00 34.95 33.09 1noe s ARG 33 CO 0.32 -1.70 0.00 -0.35 0.00 0.00 0.00 175.30 173.57 1noe n PRO 34 N -2.44 -0.65 0.00 3.54 -0.04 -1.26 -4.43 135.00 129.72 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 0.50 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 3.10 1.79 3.07 0.55 0.00 -1.26 -4.75 105.19 107.70 1noe n GLY 35 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 1.85 0.51 0.99 2.96 -1.26 -5.08 118.68 118.65 1noe s LEU 36 Ca 0.00 -0.41 -0.21 0.00 -0.22 0.00 0.00 54.13 53.29 1noe s LEU 36 Cb 0.00 0.47 -0.06 0.00 0.50 0.00 0.00 46.19 47.10 1noe s LEU 36 CO 0.00 -0.40 1.17 -2.16 -1.32 0.00 0.00 176.35 173.64 1noe s PRO 37 N -1.83 3.50 0.32 0.98 0.04 -1.26 -4.76 135.00 131.99 1noe s PRO 37 Ca -0.12 1.76 0.08 0.00 0.04 0.00 0.00 61.00 62.77 1noe s PRO 37 Cb -0.06 -2.22 0.84 0.00 0.04 0.00 0.00 34.50 33.10 1noe s PRO 37 CO -0.01 -0.76 1.75 -1.00 0.04 0.00 0.00 177.00 177.01 1noe h PRO 38 N 1.61 0.62 -0.64 0.56 0.13 -1.86 0.92 132.00 133.35 1noe h PRO 38 Ca -0.50 -0.04 0.12 0.00 -0.87 0.00 0.00 66.00 64.72 1noe h PRO 38 Cb 1.26 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 1noe h PRO 38 CO 0.58 0.41 0.43 0.93 -0.23 0.00 0.00 178.00 180.12 1noe h GLU 39 N 0.64 0.34 -0.66 0.86 3.07 -1.91 0.82 114.58 117.74 1noe h GLU 39 Ca 0.62 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1noe h GLU 39 Cb 1.12 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1noe h GLU 39 CO -0.44 0.23 0.00 0.39 -1.40 0.00 0.00 179.01 177.78 1noe n GLU 40 N -4.46 3.65 -4.06 2.33 1.02 0.31 -4.90 120.64 114.54 1noe n GLU 40 Ca 0.11 -2.36 -0.34 0.00 -0.02 0.00 0.00 57.16 54.55 1noe n GLU 40 Cb 0.45 -1.95 -0.10 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.12 3.90 0.16 3.49 -0.21 0.28 -4.90 119.66 120.27 1noe s GLN 41 Ca 0.41 -0.38 -0.24 0.00 0.02 0.00 0.00 55.36 55.17 1noe s GLN 41 Cb 0.29 -3.17 0.06 0.00 1.00 0.00 0.00 33.01 31.20 1noe s GLN 41 CO 0.15 0.24 0.74 -3.38 -2.12 0.00 0.00 175.29 170.92 1noe s HIS 42 N 0.44 -0.35 0.33 0.91 -3.43 -1.26 -4.85 115.29 107.08 1noe s HIS 42 Ca 0.02 0.07 0.11 0.00 -0.80 0.00 0.00 55.06 54.46 1noe s HIS 42 Cb -0.13 0.61 0.96 0.00 -1.43 0.00 0.00 32.58 32.59 1noe s HIS 42 CO 0.01 -0.90 1.70 0.00 -2.00 0.00 0.00 174.74 173.55 1noe h ALA 44 N 1.78 3.01 -0.58 0.00 0.00 -1.53 0.77 119.26 122.71 1noe h ALA 44 Ca 0.68 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1noe h ALA 44 Cb 1.41 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1noe h ALA 44 CO -0.54 -1.51 0.00 0.09 0.00 0.00 0.00 179.25 177.29 1noe n ASN 45 N -4.38 3.60 -4.71 0.00 3.02 0.43 -5.01 115.26 108.21 1noe n ASN 45 Ca 0.34 -1.99 -0.38 0.00 -0.03 0.00 0.00 54.58 52.52 1noe n ASN 45 Cb 1.42 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 40.15 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 6.86 0.57 -0.23 0.00 4.15 -0.90 -1.41 115.11 124.14 1noe h GLN 47 Ca -0.40 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1noe h GLN 47 Cb 1.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1noe h GLN 47 CO 0.75 0.38 0.00 1.19 -1.93 0.00 0.00 178.83 179.22 1noe n PHE 48 N -4.82 0.30 -2.10 3.99 3.72 -1.26 -4.91 117.46 112.39 1noe n PHE 48 Ca 0.26 -0.15 -0.41 0.00 -0.05 0.00 0.00 57.45 57.09 1noe n PHE 48 Cb 0.73 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.24 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 -1.70 3.12 -0.92 -1.08 1.75 -0.53 -4.19 119.30 115.76 1noe s MET 49 Ca 0.27 0.99 -0.24 0.00 -1.25 0.00 0.00 55.69 55.46 1noe s MET 49 Cb 0.14 -4.23 0.04 0.00 2.84 0.00 0.00 34.83 33.63 1noe s MET 49 CO 0.21 -2.12 1.39 -0.65 -0.65 0.00 0.00 175.02 173.19 1noe s GLN 50 N 6.01 3.45 0.35 4.11 -0.21 0.52 -4.86 119.66 129.04 1noe s GLN 50 Ca 0.70 -0.81 0.07 0.00 0.02 0.00 0.00 55.36 55.34 1noe s GLN 50 Cb -0.17 -4.94 0.77 0.00 1.00 0.00 0.00 33.01 29.67 1noe s GLN 50 CO 0.28 -2.19 1.89 0.00 -2.12 0.00 0.00 175.29 173.16 1noe h ALA 51 N 9.88 1.77 0.00 6.09 0.00 -1.88 -2.95 119.26 132.17 1noe h ALA 51 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1noe h ALA 51 Cb 1.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1noe h ALA 51 CO 1.38 0.03 0.22 -0.40 0.00 0.00 0.00 179.25 180.48 1noe n ASP 52 N -4.53 4.19 -4.86 0.00 5.75 -1.26 -4.59 116.55 111.25 1noe n ASP 52 Ca 0.15 -2.25 -0.32 0.00 -0.01 0.00 0.00 54.79 52.36 1noe n ASP 52 Cb 0.38 -1.08 -0.06 0.00 -1.03 0.00 0.00 41.12 39.34 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 1.68 3.39 -0.92 2.12 0.00 -1.24 -4.96 121.76 121.82 1noe s ALA 53 Ca 0.50 -0.07 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 1noe s ALA 53 Cb 0.23 -2.68 -0.11 0.00 0.00 0.00 0.00 23.12 20.56 1noe s ALA 53 CO -0.01 0.34 2.13 0.00 0.00 0.00 0.00 175.76 178.22 1noe s ALA 54 N -1.99 1.19 0.00 0.00 0.00 -1.26 -0.78 121.76 118.92 1noe s ALA 54 Ca 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1noe s ALA 54 Cb -0.10 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.42 1noe s ALA 54 CO 0.20 -5.52 0.00 0.41 0.00 0.00 0.00 175.76 170.85 1noe n GLY 55 N 6.62 1.43 3.59 0.00 0.00 -1.26 -4.75 105.19 110.82 1noe n GLY 55 Ca 0.43 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.50 -0.53 -2.34 4.61 0.00 0.04 -4.95 120.51 115.83 1noe n ALA 56 Ca 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 53.44 53.81 1noe n ALA 56 Cb 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.32 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 -0.31 0.16 0.41 0.00 -1.32 0.12 -5.00 115.64 109.71 1noe s THR 57 Ca 0.70 -1.51 0.12 0.00 -1.21 0.00 0.00 61.69 59.79 1noe s THR 57 Cb -0.81 -1.51 0.17 0.00 -1.51 0.00 0.00 72.50 68.84 1noe s THR 57 CO 0.53 -0.75 1.95 0.44 -2.21 0.00 0.00 174.62 174.58 1noe h ASP 58 N 2.90 0.12 0.81 8.08 3.32 -2.00 0.21 116.42 129.87 1noe h ASP 58 Ca -0.34 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.59 1noe h ASP 58 Cb 1.18 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1noe h ASP 58 CO 0.60 0.30 -0.47 -0.33 -1.72 0.00 0.00 179.24 177.62 1noe h GLU 59 N 0.13 0.00 -3.00 3.56 4.39 -1.98 -3.43 114.58 114.25 1noe h GLU 59 Ca 0.03 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.17 1noe h GLU 59 Cb 0.36 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.61 1noe h GLU 59 CO 0.02 0.47 -0.78 -1.58 -1.16 0.00 0.00 179.01 175.98 1noe s TRP 60 N -3.56 0.87 0.39 4.33 0.52 0.72 -1.40 118.94 120.82 1noe s TRP 60 Ca -0.00 -1.31 0.00 0.00 0.02 0.00 0.00 56.10 54.81 1noe s TRP 60 Cb 0.11 -1.20 0.00 0.00 -1.15 0.00 0.00 33.47 31.24 1noe s TRP 60 CO 0.71 -0.84 0.02 1.17 0.02 0.00 0.00 176.95 178.03 1noe n LYS 61 N 4.89 1.05 -4.17 4.98 3.00 -1.03 -0.70 118.16 126.17 1noe n LYS 61 Ca -0.02 -2.82 -0.25 0.00 -0.00 0.00 0.00 58.31 55.22 1noe n LYS 61 Cb 0.41 0.73 -0.07 0.00 0.00 0.00 0.00 35.03 36.10 1noe n LYS 61 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1noe s GLY 62 N -3.16 1.67 0.00 3.14 0.00 -1.11 -0.12 107.32 107.73 1noe s GLY 62 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1noe s GLY 62 CO 0.01 -1.39 0.00 0.00 0.00 0.00 0.00 173.10 171.72 1noe n GLN 64 N 0.00 0.00 -0.10 0.00 7.27 -1.26 -0.35 117.38 122.94 1noe n GLN 64 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1noe n GLN 64 Cb 0.00 0.00 0.07 0.00 2.41 0.00 0.00 30.24 32.72 1noe n GLN 64 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 1noe n LEU 65 N -3.14 1.02 -4.02 1.69 -0.00 -1.26 -4.44 117.00 106.85 1noe n LEU 65 Ca 0.00 -0.51 -0.33 0.00 -0.00 0.00 0.00 56.01 55.17 1noe n LEU 65 Cb 0.00 -0.16 -0.09 0.00 -0.00 0.00 0.00 43.42 43.17 1noe n LEU 65 CO 0.00 0.23 0.19 -0.36 -0.00 0.00 0.00 177.39 177.45 1noe s PHE 66 N -1.73 3.77 0.40 1.47 0.40 -1.26 -5.08 117.98 115.94 1noe s PHE 66 Ca 0.11 -3.16 -0.22 0.00 -0.60 0.00 0.00 56.93 53.06 1noe s PHE 66 Cb 0.06 -3.03 -0.11 0.00 0.51 0.00 0.00 43.02 40.46 1noe s PHE 66 CO 0.07 -0.66 0.95 -1.25 0.70 0.00 0.00 175.22 175.03 1noe s PRO 67 N -1.39 4.32 0.00 0.24 0.04 -1.26 -4.33 135.00 132.61 1noe s PRO 67 Ca 0.26 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1noe s PRO 67 Cb -0.06 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1noe s PRO 67 CO -0.14 0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1noe n GLY 68 N -0.29 1.24 3.74 0.56 0.00 -1.26 -4.88 105.19 104.30 1noe n GLY 68 Ca 0.06 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 2.45 -0.05 1.61 1.02 -1.26 -4.86 119.74 118.64 1noe s LYS 69 Ca 0.00 1.77 0.05 0.00 0.02 0.00 0.00 55.97 57.80 1noe s LYS 69 Cb 0.00 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.43 1noe s LYS 69 CO 0.00 -1.60 -0.20 -0.51 -0.92 0.00 0.00 175.35 172.12 1noe s LEU 70 N -4.78 1.96 -0.05 3.17 1.43 -1.26 -4.79 118.68 114.36 1noe s LEU 70 Ca 0.75 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 53.35 1noe s LEU 70 Cb -0.29 -1.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1noe s LEU 70 CO 0.41 0.18 0.25 0.27 0.23 0.00 0.00 176.35 177.70 1noe s ILE 71 N -0.00 5.31 0.25 -0.59 -0.00 0.83 -2.01 121.20 124.98 1noe s ILE 71 Ca -0.04 0.37 -0.31 0.00 -0.00 0.00 0.00 60.65 60.67 1noe s ILE 71 Cb -0.12 -3.54 -0.11 0.00 -0.00 0.00 0.00 42.46 38.69 1noe s ILE 71 CO 0.03 0.53 1.57 0.21 -0.00 0.00 0.00 174.94 177.28 1noe s ASN 72 N -1.25 6.48 0.56 4.36 3.84 -1.26 -2.48 114.94 125.20 1noe s ASN 72 Ca 0.21 2.81 0.30 0.00 0.21 0.00 0.00 52.86 56.39 1noe s ASN 72 Cb -0.14 -2.62 1.68 0.00 -0.55 0.00 0.00 41.25 39.63 1noe s ASN 72 CO 0.10 -0.86 2.17 -0.37 -2.79 0.00 0.00 177.10 175.36 1noe h VAL 73 N 3.60 0.50 -0.98 -5.21 -1.51 -1.49 0.31 116.25 111.47 1noe h VAL 73 Ca -0.45 -0.26 -0.65 0.00 -1.23 0.00 0.00 66.70 64.10 1noe h VAL 73 Cb 1.21 1.17 -0.30 0.00 -2.13 0.00 0.00 31.29 31.25 1noe h VAL 73 CO 0.84 0.06 0.76 -3.20 -1.23 0.00 0.00 177.57 174.80 1noe n ASN 74 N -3.68 7.16 -0.05 4.19 5.15 -1.26 -1.36 115.26 125.41 1noe n ASN 74 Ca -0.02 -3.77 -0.03 0.00 -0.60 0.00 0.00 54.58 50.16 1noe n ASN 74 Cb 0.16 -0.93 -0.01 0.00 -0.53 0.00 0.00 39.78 38.47 1noe n ASN 74 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1noe h GLY 75 N 1.91 0.00 -1.10 8.20 0.00 -0.48 0.43 103.07 112.03 1noe h GLY 75 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1noe h GLY 75 CO 1.50 0.00 -0.29 1.87 0.00 0.00 0.00 176.54 179.62 1noe n TRP 76 N -3.90 -1.26 -4.06 5.60 -0.00 -1.26 -3.38 117.44 109.18 1noe n TRP 76 Ca -0.05 0.68 -0.10 0.00 -0.00 0.00 0.00 57.50 58.04 1noe n TRP 76 Cb 0.17 -1.41 -0.08 0.00 -0.00 0.00 0.00 31.31 29.99 1noe n TRP 76 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1noe s SER 77 N -3.72 0.08 0.32 5.87 1.04 -1.26 -3.27 113.70 112.76 1noe s SER 77 Ca 0.00 -1.06 0.06 0.00 0.48 0.00 0.00 55.95 55.43 1noe s SER 77 Cb 0.00 0.44 0.71 0.00 0.10 0.00 0.00 66.02 67.27 1noe s SER 77 CO 0.00 -0.91 1.84 0.00 0.98 0.00 0.00 173.24 175.15 1noe h ALA 78 N 2.54 1.70 0.00 5.32 0.00 -0.81 -0.11 119.26 127.90 1noe h ALA 78 Ca -0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1noe h ALA 78 Cb 1.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1noe h ALA 78 CO 0.48 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.64 1noe n SER 79 N -4.61 0.00 -4.56 0.00 3.41 -1.26 -4.89 113.62 101.71 1noe n SER 79 Ca 0.19 -1.14 -0.53 0.00 -0.26 0.00 0.00 58.87 57.12 1noe n SER 79 Cb 0.44 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.92 1.15 -3.69 7.33 -0.00 -0.05 -4.96 117.44 116.29 1noe n TRP 80 Ca 0.20 0.77 -0.22 0.00 -0.00 0.00 0.00 57.50 58.26 1noe n TRP 80 Cb 0.09 -2.24 -0.18 0.00 -0.00 0.00 0.00 31.31 28.98 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 0.16 0.03 -0.07 5.87 2.01 -1.26 -4.97 115.64 117.41 1noe s THR 81 Ca 0.83 0.26 -0.34 0.00 0.31 0.00 0.00 61.69 62.75 1noe s THR 81 Cb -1.02 -0.32 -0.11 0.00 0.01 0.00 0.00 72.50 71.06 1noe s THR 81 CO 0.51 0.13 1.90 -0.11 -0.69 0.00 0.00 174.62 176.36 1noe n LEU 82 N 5.25 3.56 -4.68 4.42 -0.00 -1.26 -0.32 117.00 123.98 1noe n LEU 82 Ca -0.05 0.96 -0.47 0.00 -0.00 0.00 0.00 56.01 56.46 1noe n LEU 82 Cb 0.50 -1.40 -0.04 0.00 -0.00 0.00 0.00 43.42 42.48 1noe n LEU 82 CO 0.08 -0.01 1.50 1.17 -0.00 0.00 0.00 177.39 180.12 1noe n LYS 83 N 6.76 2.34 0.00 1.96 4.81 0.30 -4.52 118.16 129.82 1noe n LYS 83 Ca 0.22 0.86 -0.02 0.00 -0.87 0.00 0.00 58.31 58.50 1noe n LYS 83 Cb 0.31 -2.72 -0.01 0.00 0.02 0.00 0.00 35.03 32.63 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 6.61 2.24 1.54 3.14 0.00 -1.26 -4.90 120.51 127.89 1noe n ALA 84 Ca 0.22 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1noe n ALA 84 Cb 0.32 0.10 0.56 0.00 0.00 0.00 0.00 19.45 20.44 1noe n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91