#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dai s SER 2 N 0.00 -0.32 -0.04 1.61 0.15 -1.26 -5.19 113.70 108.66 2dai s SER 2 Ca 0.00 0.24 -0.31 0.00 0.70 0.00 0.00 55.95 56.58 2dai s SER 2 Cb 0.00 0.28 0.13 0.00 -1.71 0.00 0.00 66.02 64.72 2dai s SER 2 CO 0.00 -0.37 1.34 -0.94 1.20 0.00 0.00 173.24 174.47 2dai s SER 3 N -1.52 -0.04 0.34 5.45 1.04 -1.26 -5.19 113.70 112.52 2dai s SER 3 Ca 0.02 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 56.42 2dai s SER 3 Cb -0.01 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 2dai s SER 3 CO -0.02 -0.20 0.24 0.61 0.98 0.00 0.00 173.24 174.84 2dai n GLY 4 N -0.50 3.04 0.00 7.32 0.00 -1.26 -5.18 105.19 108.61 2dai n GLY 4 Ca -0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2dai n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dai n SER 5 N -1.69 0.00 -3.96 1.61 7.64 -1.26 -5.19 113.62 110.78 2dai n SER 5 Ca 0.04 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.83 2dai n SER 5 Cb 0.58 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 2dai n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dai s SER 6 N 0.00 -0.13 -0.03 6.43 0.15 -1.26 -5.18 113.70 113.68 2dai s SER 6 Ca 0.00 -0.84 -0.12 0.00 0.70 0.00 0.00 55.95 55.69 2dai s SER 6 Cb 0.00 0.62 0.04 0.00 -1.71 0.00 0.00 66.02 64.97 2dai s SER 6 CO 0.00 -1.18 0.54 0.61 1.20 0.00 0.00 173.24 174.41 2dai n GLY 7 N -0.40 0.34 3.56 9.45 0.00 -1.26 -5.19 105.19 111.69 2dai n GLY 7 Ca -0.02 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2dai n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dai s ASP 8 N -2.18 -0.39 -0.03 1.61 2.15 -1.26 -5.19 116.67 111.38 2dai s ASP 8 Ca 0.13 -0.14 -0.30 0.00 0.43 0.00 0.00 52.55 52.67 2dai s ASP 8 Cb -0.00 0.52 0.11 0.00 -0.30 0.00 0.00 42.92 43.25 2dai s ASP 8 CO -0.01 -0.88 0.93 0.00 -0.17 0.00 0.00 175.17 175.04 2dai s ALA 9 N -3.47 -1.86 0.00 3.66 0.00 -1.26 -5.18 121.76 113.64 2dai s ALA 9 Ca 0.06 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2dai s ALA 9 Cb -0.02 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2dai s ALA 9 CO -0.07 -0.67 0.00 1.33 0.00 0.00 0.00 175.76 176.35 2dai n VAL 10 N -0.22 0.00 -3.72 0.00 0.24 -1.26 -5.19 118.33 108.18 2dai n VAL 10 Ca -0.07 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 2dai n VAL 10 Cb 0.61 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 2dai n VAL 10 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2dai s GLU 11 N 1.48 1.44 0.00 7.34 2.02 -1.26 -5.12 118.70 124.61 2dai s GLU 11 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2dai s GLU 11 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 34.13 34.77 2dai s GLU 11 CO 0.00 -0.62 0.00 -0.11 0.02 0.00 0.00 175.26 174.55 2dai n LEU 12 N -0.37 0.00 -3.64 1.80 7.94 -1.26 -5.16 117.00 116.31 2dai n LEU 12 Ca -0.10 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.72 2dai n LEU 12 Cb 0.62 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.55 2dai n LEU 12 CO 0.16 -0.06 0.56 -0.36 -1.11 0.00 0.00 177.39 176.58 2dai s PHE 13 N -0.11 -0.31 -0.18 1.96 0.08 -1.26 -5.17 117.98 112.98 2dai s PHE 13 Ca 0.00 0.02 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 2dai s PHE 13 Cb 0.00 0.61 0.05 0.00 -0.57 0.00 0.00 43.02 43.12 2dai s PHE 13 CO 0.00 -0.88 0.47 0.15 -0.10 0.00 0.00 175.22 174.86 2dai s LYS 14 N -3.55 0.52 0.16 0.44 1.02 -1.26 -5.17 119.74 111.90 2dai s LYS 14 Ca 0.07 0.75 -0.03 0.00 0.02 0.00 0.00 55.97 56.78 2dai s LYS 14 Cb -0.02 0.17 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2dai s LYS 14 CO -0.03 -0.10 0.14 0.21 -0.92 0.00 0.00 175.35 174.65 2dai s LYS 15 N 0.74 1.07 0.19 1.68 2.47 -1.26 -5.09 119.74 119.54 2dai s LYS 15 Ca -0.04 -1.42 0.00 0.00 -1.56 0.00 0.00 55.97 52.95 2dai s LYS 15 Cb -0.05 0.29 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 2dai s LYS 15 CO -0.05 -0.34 0.00 0.00 0.16 0.00 0.00 175.35 175.11 2dai n ALA 16 N -0.17 3.00 -3.63 3.13 0.00 -1.26 -5.14 120.51 116.44 2dai n ALA 16 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 2dai n ALA 16 Cb 0.64 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.16 2dai n ALA 16 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dai s ASN 17 N -5.44 -0.20 1.28 0.00 2.47 -1.26 -5.17 114.94 106.62 2dai s ASN 17 Ca 0.00 0.32 -0.16 0.00 0.42 0.00 0.00 52.86 53.44 2dai s ASN 17 Cb 0.00 0.30 0.33 0.00 -1.45 0.00 0.00 41.25 40.43 2dai s ASN 17 CO 0.00 -0.12 0.97 0.00 -3.72 0.00 0.00 177.10 174.24 2dai n ALA 18 N 1.29 -3.66 -1.52 1.71 0.00 -1.26 -4.84 120.51 112.22 2dai n ALA 18 Ca -0.08 -1.43 -0.46 0.00 0.00 0.00 0.00 53.44 51.47 2dai n ALA 18 Cb 0.57 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 2dai n ALA 18 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2dai n MET 19 N -5.25 0.88 -3.15 0.00 0.00 -1.26 -4.96 117.12 103.37 2dai n MET 19 Ca 0.05 0.31 0.06 0.00 -0.00 0.00 0.00 57.70 58.12 2dai n MET 19 Cb 0.56 -1.56 -0.02 0.00 0.00 0.00 0.00 33.22 32.20 2dai n MET 19 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 2dai s LEU 20 N 1.31 -0.01 0.60 -0.89 0.20 -1.26 -5.16 118.68 113.47 2dai s LEU 20 Ca 0.61 0.00 -0.19 0.00 0.69 0.00 0.00 54.13 55.25 2dai s LEU 20 Cb -0.79 1.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.94 2dai s LEU 20 CO 0.58 -0.00 1.20 -1.81 -0.29 0.00 0.00 176.35 176.03 2dai s ASP 21 N 3.00 5.20 -0.17 3.68 1.11 -1.26 -5.02 116.67 123.21 2dai s ASP 21 Ca -0.04 2.36 -0.02 0.00 0.18 0.00 0.00 52.55 55.04 2dai s ASP 21 Cb -0.06 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.32 2dai s ASP 21 CO -0.09 -1.59 -0.10 -0.70 1.18 0.00 0.00 175.17 173.88 2dai s GLU 22 N -3.37 3.36 -0.06 8.23 2.12 -1.26 -5.06 118.70 122.66 2dai s GLU 22 Ca 0.77 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 55.12 2dai s GLU 22 Cb -0.29 -2.79 -0.09 0.00 0.26 0.00 0.00 34.13 31.21 2dai s GLU 22 CO 0.33 0.01 2.01 -3.47 -0.54 0.00 0.00 175.26 173.60 2dai n ASP 23 N 4.13 3.73 -4.73 -1.70 2.03 -1.26 -4.93 116.55 113.82 2dai n ASP 23 Ca -0.18 0.77 -0.31 0.00 0.52 0.00 0.00 54.79 55.59 2dai n ASP 23 Cb 0.52 -1.48 0.12 0.00 -0.72 0.00 0.00 41.12 39.56 2dai n ASP 23 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2dai s GLU 24 N 4.80 1.77 0.10 -0.67 -6.30 -1.26 -5.06 118.70 112.08 2dai s GLU 24 Ca 0.93 1.26 -0.11 0.00 -2.50 0.00 0.00 54.97 54.55 2dai s GLU 24 Cb -0.50 -1.83 0.01 0.00 0.00 0.00 0.00 34.13 31.80 2dai s GLU 24 CO 0.44 -2.01 0.26 -0.51 0.02 0.00 0.00 175.26 173.45 2dai s ASP 25 N -3.16 -0.00 0.02 -1.70 1.11 -1.26 -5.09 116.67 106.58 2dai s ASP 25 Ca 0.63 -0.51 -0.12 0.00 0.18 0.00 0.00 52.55 52.73 2dai s ASP 25 Cb -0.19 0.38 -0.06 0.00 1.07 0.00 0.00 42.92 44.12 2dai s ASP 25 CO 0.57 -0.75 1.10 -0.33 1.18 0.00 0.00 175.17 176.94 2dai h GLU 26 N 2.68 -0.40 -6.85 8.23 5.08 -2.06 -3.43 114.58 117.83 2dai h GLU 26 Ca -0.34 0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 57.53 2dai h GLU 26 Cb 1.22 0.09 0.05 0.00 0.50 0.00 0.00 28.75 30.61 2dai h GLU 26 CO 0.53 -0.27 0.62 1.03 -1.00 0.00 0.00 179.01 179.91 2dai s ARG 27 N -3.78 4.40 1.03 2.33 0.52 -1.26 -4.96 118.95 117.23 2dai s ARG 27 Ca -0.06 2.14 -0.22 0.00 -0.52 0.00 0.00 55.73 57.07 2dai s ARG 27 Cb 0.01 -3.10 -0.07 0.00 0.52 0.00 0.00 34.95 32.30 2dai s ARG 27 CO 0.18 -0.13 -0.73 0.28 0.02 0.00 0.00 175.30 174.92 2dai n VAL 28 N 1.08 0.00 -3.23 3.52 0.31 -1.26 -4.92 118.33 113.82 2dai n VAL 28 Ca 0.01 -0.20 -0.34 0.00 -0.01 0.00 0.00 64.34 63.80 2dai n VAL 28 Cb 0.42 -0.26 -0.06 0.00 -0.91 0.00 0.00 33.84 33.03 2dai n VAL 28 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dai s ASP 29 N -1.38 6.82 -0.21 4.52 2.15 -1.26 -5.01 116.67 122.31 2dai s ASP 29 Ca 0.45 1.19 -0.20 0.00 0.43 0.00 0.00 52.55 54.43 2dai s ASP 29 Cb -0.04 -2.34 -0.19 0.00 -0.30 0.00 0.00 42.92 40.05 2dai s ASP 29 CO 0.69 -0.05 0.18 -0.62 -0.17 0.00 0.00 175.17 175.20 2dai n GLU 30 N 0.20 0.58 -0.14 4.34 -0.58 -1.26 -2.74 120.64 121.04 2dai n GLU 30 Ca -0.00 0.54 -0.07 0.00 -0.42 0.00 0.00 57.16 57.20 2dai n GLU 30 Cb 0.52 -1.73 -0.01 0.00 -0.57 0.00 0.00 31.44 29.66 2dai n GLU 30 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dai h ALA 31 N -0.49 -0.12 0.74 0.62 0.00 -1.99 0.71 119.26 118.73 2dai h ALA 31 Ca -0.38 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2dai h ALA 31 Cb 1.38 0.71 0.01 0.00 0.00 0.00 0.00 17.79 19.89 2dai h ALA 31 CO -0.21 -0.70 -0.36 0.00 0.00 0.00 0.00 179.25 177.99 2dai h ALA 32 N 0.86 -0.99 -0.99 0.00 0.00 -1.92 -2.84 119.26 113.38 2dai h ALA 32 Ca 0.19 -0.23 0.27 0.00 0.00 0.00 0.00 54.91 55.14 2dai h ALA 32 Cb 0.54 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 18.53 2dai h ALA 32 CO -0.58 -0.97 0.02 1.25 0.00 0.00 0.00 179.25 178.97 2dai h LEU 33 N -1.16 -0.49 -0.53 0.00 5.85 -1.20 1.30 115.31 119.07 2dai h LEU 33 Ca -0.10 0.28 0.10 0.00 0.84 0.00 0.00 57.88 59.00 2dai h LEU 33 Cb 0.78 0.49 -0.08 0.00 0.37 0.00 0.00 40.66 42.22 2dai h LEU 33 CO 0.17 -0.36 0.05 -0.09 -0.34 0.00 0.00 178.44 177.87 2dai h ARG 34 N 0.01 0.17 -0.31 1.25 9.65 0.63 -0.24 114.38 125.54 2dai h ARG 34 Ca 0.60 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.51 2dai h ARG 34 Cb 1.22 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 29.69 2dai h ARG 34 CO -0.92 0.11 -0.54 1.96 2.80 0.00 0.00 179.97 183.38 2dai h GLN 35 N 0.18 -0.43 0.19 0.20 4.20 0.19 1.44 115.11 121.08 2dai h GLN 35 Ca 0.27 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 2dai h GLN 35 Cb 0.41 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2dai h GLN 35 CO -0.40 -0.29 -0.20 -0.07 -0.67 0.00 0.00 178.83 177.20 2dai h LEU 36 N -0.45 -0.54 -1.79 1.46 3.38 -1.17 0.53 115.31 116.73 2dai h LEU 36 Ca 0.06 0.04 0.42 0.00 0.09 0.00 0.00 57.88 58.49 2dai h LEU 36 Cb 0.61 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 2dai h LEU 36 CO -0.53 -0.26 0.98 0.71 0.09 0.00 0.00 178.44 179.44 2dai h THR 37 N -0.39 0.25 -0.05 0.22 1.35 -0.74 1.50 112.91 115.05 2dai h THR 37 Ca -0.02 -0.02 -0.24 0.00 -0.55 0.00 0.00 66.41 65.57 2dai h THR 37 Cb 0.34 0.18 0.01 0.00 -1.73 0.00 0.00 68.15 66.95 2dai h THR 37 CO -0.03 0.01 -0.93 -0.33 -0.25 0.00 0.00 175.52 173.99 2dai h GLU 38 N 0.07 0.66 0.16 4.72 5.08 0.33 -3.31 114.58 122.28 2dai h GLU 38 Ca 0.72 -0.65 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2dai h GLU 38 Cb 2.64 0.17 0.00 0.00 0.50 0.00 0.00 28.75 32.06 2dai h GLU 38 CO -0.13 1.25 -0.08 0.52 -1.00 0.00 0.00 179.01 179.57 2dai h MET 39 N 0.40 -0.21 0.00 2.33 2.86 0.71 -3.47 114.93 117.55 2dai h MET 39 Ca -0.09 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2dai h MET 39 Cb 1.57 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.28 2dai h MET 39 CO 0.18 0.06 0.00 0.41 1.06 0.00 0.00 176.91 178.63 2dai n GLY 40 N -0.47 0.00 3.28 8.32 0.00 0.15 -5.09 105.19 111.38 2dai n GLY 40 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2dai n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dai s PHE 41 N 0.00 1.68 -0.09 1.61 0.08 -1.14 -5.00 117.98 115.12 2dai s PHE 41 Ca 0.00 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.30 2dai s PHE 41 Cb 0.00 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.53 2dai s PHE 41 CO 0.00 0.22 1.24 -1.25 -0.10 0.00 0.00 175.22 175.33 2dai s PRO 42 N -2.28 4.31 0.25 0.24 0.04 -1.26 -4.08 135.00 132.21 2dai s PRO 42 Ca 0.09 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.78 2dai s PRO 42 Cb -0.08 -3.63 0.47 0.00 0.04 0.00 0.00 34.50 31.30 2dai s PRO 42 CO 0.05 -0.55 1.70 1.49 0.04 0.00 0.00 177.00 179.73 2dai h GLU 43 N 7.75 0.33 -0.35 4.56 4.81 -1.96 1.44 114.58 131.17 2dai h GLU 43 Ca -0.32 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2dai h GLU 43 Cb 1.14 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.37 2dai h GLU 43 CO 0.91 0.22 -0.52 -0.97 -0.73 0.00 0.00 179.01 177.92 2dai h ASN 44 N 0.34 -1.72 0.27 1.04 -1.24 -1.99 1.09 115.58 113.37 2dai h ASN 44 Ca 0.42 0.23 -0.01 0.00 0.71 0.00 0.00 56.30 57.64 2dai h ASN 44 Cb 0.69 0.71 0.00 0.00 0.73 0.00 0.00 38.32 40.45 2dai h ASN 44 CO -0.47 -0.41 -0.13 0.03 -1.29 0.00 0.00 177.43 175.16 2dai h ARG 45 N -0.42 -0.35 -0.97 6.67 3.08 -1.63 -2.81 114.38 117.95 2dai h ARG 45 Ca 0.08 0.02 0.26 0.00 0.07 0.00 0.00 59.98 60.42 2dai h ARG 45 Cb 0.61 0.08 -0.18 0.00 0.08 0.00 0.00 29.97 30.56 2dai h ARG 45 CO -0.56 0.00 0.02 0.00 -1.07 0.00 0.00 179.97 178.37 2dai h ALA 46 N -0.47 1.13 0.29 0.04 0.00 0.22 0.67 119.26 121.13 2dai h ALA 46 Ca -0.04 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2dai h ALA 46 Cb 0.51 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2dai h ALA 46 CO 0.06 -0.55 -0.23 1.15 0.00 0.00 0.00 179.25 179.68 2dai h THR 47 N 0.02 0.52 0.40 0.00 2.02 0.12 0.63 112.91 116.62 2dai h THR 47 Ca 0.58 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.76 2dai h THR 47 Cb 1.18 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2dai h THR 47 CO -0.90 0.00 -0.51 0.50 0.37 0.00 0.00 175.52 174.98 2dai h LYS 48 N -0.52 -0.91 -0.69 6.66 3.64 0.38 -0.88 116.57 124.26 2dai h LYS 48 Ca -0.02 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.51 2dai h LYS 48 Cb 0.46 0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 32.38 2dai h LYS 48 CO -0.01 -0.60 -0.49 0.00 -2.27 0.00 0.00 179.45 176.08 2dai h ALA 49 N -0.82 -0.41 -0.82 5.00 0.00 -0.26 0.66 119.26 122.61 2dai h ALA 49 Ca -0.05 0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.17 2dai h ALA 49 Cb 0.84 1.09 -0.14 0.00 0.00 0.00 0.00 17.79 19.58 2dai h ALA 49 CO -0.12 -0.88 0.03 -0.07 0.00 0.00 0.00 179.25 178.21 2dai h LEU 50 N -0.18 -0.35 -1.61 0.00 3.38 -0.45 1.89 115.31 117.99 2dai h LEU 50 Ca 0.17 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.37 2dai h LEU 50 Cb 0.54 0.37 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2dai h LEU 50 CO -0.76 -0.21 0.27 1.56 0.09 0.00 0.00 178.44 179.38 2dai h GLN 51 N 0.10 0.52 -0.69 1.13 4.20 0.16 1.20 115.11 121.73 2dai h GLN 51 Ca 0.47 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2dai h GLN 51 Cb 0.87 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2dai h GLN 51 CO -0.72 0.34 0.00 1.28 -0.67 0.00 0.00 178.83 179.06 2dai n LEU 52 N -4.48 4.61 -1.15 1.46 4.77 0.52 -4.02 117.00 118.70 2dai n LEU 52 Ca 0.03 -2.32 0.05 0.00 -0.03 0.00 0.00 56.01 53.74 2dai n LEU 52 Cb 0.07 -0.56 0.09 0.00 -2.33 0.00 0.00 43.42 40.68 2dai n LEU 52 CO 0.35 0.87 0.17 0.59 -1.33 0.00 0.00 177.39 178.04 2dai n ASN 53 N 1.31 1.26 -1.89 -1.43 3.02 0.52 -4.95 115.26 113.10 2dai n ASN 53 Ca 0.26 -2.70 -0.06 0.00 -0.03 0.00 0.00 54.58 52.05 2dai n ASN 53 Cb 0.83 -0.38 -0.01 0.00 -0.61 0.00 0.00 39.78 39.60 2dai n ASN 53 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2dai n HIS 54 N -0.11 -1.27 -2.95 3.10 8.25 -0.69 0.19 115.22 121.74 2dai n HIS 54 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 2dai n HIS 54 Cb 0.98 -1.78 0.03 0.00 1.12 0.00 0.00 29.99 30.34 2dai n HIS 54 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2dai n MET 55 N -2.08 -3.34 -3.33 -0.41 2.81 0.38 -5.01 117.12 106.14 2dai n MET 55 Ca -0.07 0.35 -0.38 0.00 -1.81 0.00 0.00 57.70 55.79 2dai n MET 55 Cb 0.39 -3.92 -0.06 0.00 -0.71 0.00 0.00 33.22 28.92 2dai n MET 55 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dai s SER 56 N -3.15 6.94 -0.04 7.83 0.01 0.50 -4.93 113.70 120.87 2dai s SER 56 Ca 0.24 1.12 -0.23 0.00 1.31 0.00 0.00 55.95 58.39 2dai s SER 56 Cb -0.11 -2.32 -0.25 0.00 0.21 0.00 0.00 66.02 63.55 2dai s SER 56 CO 0.31 0.23 1.00 0.58 0.41 0.00 0.00 173.24 175.77 2dai h VAL 57 N 3.80 1.53 0.15 3.43 2.07 -1.91 -2.88 116.25 122.44 2dai h VAL 57 Ca -0.49 -2.15 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 2dai h VAL 57 Cb 1.21 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 2dai h VAL 57 CO 0.65 0.60 -0.07 1.55 0.02 0.00 0.00 177.57 180.32 2dai h PRO 58 N -0.40 -0.19 -0.95 1.57 0.13 -1.97 -3.11 132.00 127.09 2dai h PRO 58 Ca -0.07 0.01 0.29 0.00 -0.87 0.00 0.00 66.00 65.37 2dai h PRO 58 Cb 1.24 0.04 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 2dai h PRO 58 CO 0.09 -0.13 0.26 1.96 -0.23 0.00 0.00 178.00 179.95 2dai h GLN 59 N -0.63 0.11 -0.30 0.86 1.08 -1.93 0.78 115.11 115.08 2dai h GLN 59 Ca -0.02 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.24 2dai h GLN 59 Cb 0.15 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.49 2dai h GLN 59 CO 0.03 0.07 -0.11 0.00 -0.95 0.00 0.00 178.83 177.88 2dai h ALA 60 N 1.90 0.15 -0.06 3.87 0.00 -1.61 -0.12 119.26 123.40 2dai h ALA 60 Ca 0.64 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.68 2dai h ALA 60 Cb 1.43 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 2dai h ALA 60 CO -0.76 -0.50 -0.12 1.98 0.00 0.00 0.00 179.25 179.85 2dai h MET 61 N -0.05 -0.10 -0.67 0.00 1.85 0.67 0.44 114.93 117.08 2dai h MET 61 Ca 0.15 0.01 0.13 0.00 -0.61 0.00 0.00 59.70 59.38 2dai h MET 61 Cb 0.28 0.02 -0.13 0.00 0.43 0.00 0.00 31.60 32.21 2dai h MET 61 CO -0.34 -0.07 -0.16 0.93 -0.40 0.00 0.00 176.91 176.88 2dai h GLU 62 N -0.10 0.01 -0.86 0.39 5.08 -1.28 0.84 114.58 118.65 2dai h GLU 62 Ca 0.01 -0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.53 2dai h GLU 62 Cb 0.14 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 2dai h GLU 62 CO -0.11 0.00 0.43 2.35 -1.00 0.00 0.00 179.01 180.68 2dai h TRP 63 N 0.01 0.76 0.00 4.33 7.01 -0.13 1.31 115.95 129.23 2dai h TRP 63 Ca 0.32 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.29 2dai h TRP 63 Cb 0.49 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 2dai h TRP 63 CO -0.53 0.15 -0.30 -0.07 -2.79 0.00 0.00 178.44 174.90 2dai h LEU 64 N 0.60 0.00 0.01 0.65 3.38 0.52 0.64 115.31 121.11 2dai h LEU 64 Ca 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 2dai h LEU 64 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2dai h LEU 64 CO -0.38 0.30 -0.01 0.40 0.09 0.00 0.00 178.44 178.84 2dai h ILE 65 N 0.00 1.54 0.20 1.22 2.04 0.42 0.46 117.51 123.38 2dai h ILE 65 Ca -0.00 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 2dai h ILE 65 Cb 0.56 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2dai h ILE 65 CO 0.04 0.45 -0.09 -0.33 0.00 0.00 0.00 178.15 178.22 2dai h GLU 66 N -0.81 -0.25 0.00 2.37 4.39 0.13 -2.08 114.58 118.33 2dai h GLU 66 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2dai h GLU 66 Cb 0.76 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2dai h GLU 66 CO 0.00 -0.02 0.00 0.72 -1.16 0.00 0.00 179.01 178.55 2dai n HIS 67 N -5.12 0.05 -0.68 4.33 8.25 0.22 -3.29 115.22 118.98 2dai n HIS 67 Ca -0.09 0.02 0.52 0.00 -0.26 0.00 0.00 57.72 57.91 2dai n HIS 67 Cb 0.19 -0.53 0.80 0.00 1.12 0.00 0.00 29.99 31.57 2dai n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dai n ALA 68 N -1.52 1.83 -2.96 -1.41 0.00 0.15 0.77 120.51 117.37 2dai n ALA 68 Ca 0.04 0.66 -0.24 0.00 0.00 0.00 0.00 53.44 53.90 2dai n ALA 68 Cb 0.19 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 2dai n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dai n GLU 69 N -3.95 2.65 -4.71 0.00 -0.58 -1.21 -5.06 120.64 107.78 2dai n GLU 69 Ca 0.44 -4.43 -0.32 0.00 -0.42 0.00 0.00 57.16 52.42 2dai n GLU 69 Cb 1.96 -2.08 -0.12 0.00 -0.57 0.00 0.00 31.44 30.62 2dai n GLU 69 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2dai s ASP 70 N -3.22 4.07 0.13 1.62 2.15 0.23 -5.03 116.67 116.62 2dai s ASP 70 Ca 0.46 -0.27 -0.06 0.00 0.43 0.00 0.00 52.55 53.11 2dai s ASP 70 Cb 0.31 -0.81 -0.09 0.00 -0.30 0.00 0.00 42.92 42.03 2dai s ASP 70 CO -0.12 0.30 1.32 1.55 -0.17 0.00 0.00 175.17 178.04 2dai h PRO 71 N 4.87 0.51 -0.49 4.34 0.13 -1.93 -3.25 132.00 136.18 2dai h PRO 71 Ca -0.47 -0.50 -0.01 0.00 -0.87 0.00 0.00 66.00 64.15 2dai h PRO 71 Cb 1.16 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 2dai h PRO 71 CO 0.50 1.13 0.26 1.79 -0.23 0.00 0.00 178.00 181.46 2dai h THR 72 N 0.31 1.17 -1.26 1.56 1.35 -1.96 -1.72 112.91 112.36 2dai h THR 72 Ca -0.07 -0.45 0.37 0.00 -0.55 0.00 0.00 66.41 65.70 2dai h THR 72 Cb 1.51 0.58 -0.08 0.00 -1.73 0.00 0.00 68.15 68.43 2dai h THR 72 CO 0.16 0.19 0.87 -0.29 -0.25 0.00 0.00 175.52 176.19 2dai h ILE 73 N 0.65 0.34 -3.52 6.82 2.10 -1.90 -3.33 117.51 118.67 2dai h ILE 73 Ca 0.17 -0.04 -0.62 0.00 1.08 0.00 0.00 64.86 65.45 2dai h ILE 73 Cb 0.06 0.21 -0.12 0.00 -1.09 0.00 0.00 36.82 35.88 2dai h ILE 73 CO -0.03 0.02 0.30 -1.81 -1.08 0.00 0.00 178.15 175.56 2dai s ASP 74 N -4.93 6.53 0.36 2.19 1.11 -0.65 -5.01 116.67 116.28 2dai s ASP 74 Ca -0.06 0.35 -0.24 0.00 0.18 0.00 0.00 52.55 52.77 2dai s ASP 74 Cb 0.25 -2.37 -0.13 0.00 1.07 0.00 0.00 42.92 41.73 2dai s ASP 74 CO 0.82 -0.66 0.65 0.41 1.18 0.00 0.00 175.17 177.57 2dai n THR 75 N 5.67 1.85 -1.34 -1.27 -1.04 -1.25 -4.96 114.28 111.94 2dai n THR 75 Ca 0.02 -0.50 -0.23 0.00 -2.04 0.00 0.00 64.05 61.29 2dai n THR 75 Cb 0.48 -0.58 0.18 0.00 -1.82 0.00 0.00 70.33 68.59 2dai n THR 75 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2dai n PRO 76 N 0.67 -1.85 -3.54 -2.82 -0.04 -1.26 -5.02 135.00 121.14 2dai n PRO 76 Ca 0.12 -1.50 -0.40 0.00 -0.04 0.00 0.00 63.50 61.68 2dai n PRO 76 Cb 0.36 -1.18 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 2dai n PRO 76 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dai s LEU 77 N 0.00 4.44 0.01 1.53 1.43 -1.26 -4.91 118.68 119.92 2dai s LEU 77 Ca 0.58 -0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2dai s LEU 77 Cb -0.03 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 2dai s LEU 77 CO 0.42 -0.21 -0.11 -0.24 0.23 0.00 0.00 176.35 176.44 2dai n SER 78 N 5.10 1.36 -3.92 2.29 2.88 -1.26 -5.11 113.62 114.97 2dai n SER 78 Ca -0.13 0.20 -0.23 0.00 -1.33 0.00 0.00 58.87 57.38 2dai n SER 78 Cb 0.50 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.45 2dai n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dai n GLY 79 N 2.84 3.74 3.55 0.46 0.00 -1.26 -5.06 105.19 109.45 2dai n GLY 79 Ca -0.05 -2.33 -0.40 0.00 0.00 0.00 0.00 46.02 43.25 2dai n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dai s PRO 80 N -3.32 2.92 0.02 1.61 0.04 -1.26 -4.70 135.00 130.31 2dai s PRO 80 Ca 0.00 0.19 -0.03 0.00 0.04 0.00 0.00 61.00 61.20 2dai s PRO 80 Cb -0.00 -4.28 -0.01 0.00 0.04 0.00 0.00 34.50 30.25 2dai s PRO 80 CO 0.00 -2.42 -0.07 -1.13 0.04 0.00 0.00 177.00 173.42 2dai n SER 81 N 11.01 1.08 -3.05 6.66 3.41 -1.26 -5.09 113.62 126.37 2dai n SER 81 Ca 0.12 0.15 -0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2dai n SER 81 Cb 0.50 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2dai n SER 81 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dai n SER 82 N -3.59 -6.67 0.00 4.04 7.64 -1.26 -5.26 113.62 108.52 2dai n SER 82 Ca -0.05 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2dai n SER 82 Cb 0.21 -2.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.99 2dai n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64