#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n ARG 2 N 0.00 0.00 -1.71 1.61 1.85 -1.26 -5.15 116.66 112.00 1nu1 n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1nu1 n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1nu1 n ARG 2 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1nu1 n GLN 3 N 0.00 -4.37 -2.70 2.89 6.02 -1.26 -4.62 117.38 113.34 1nu1 n GLN 3 Ca 0.00 3.20 -0.36 0.00 -0.01 0.00 0.00 57.00 59.83 1nu1 n GLN 3 Cb 0.00 -3.33 -0.06 0.00 1.02 0.00 0.00 30.24 27.88 1nu1 n GLN 3 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1nu1 s PHE 4 N -0.46 3.47 0.00 1.08 0.40 -1.26 -2.77 117.98 118.44 1nu1 s PHE 4 Ca 0.00 1.70 0.00 0.00 -0.60 0.00 0.00 56.93 58.03 1nu1 s PHE 4 Cb 0.00 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.54 1nu1 s PHE 4 CO 0.00 -0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.17 1nu1 n GLY 5 N 0.28 0.41 1.17 4.36 0.00 -1.26 -4.85 105.19 105.30 1nu1 n GLY 5 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1nu1 n GLY 5 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nu1 n HIS 6 N -1.89 0.00 0.00 1.61 8.25 -1.11 -4.96 115.22 117.12 1nu1 n HIS 6 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1nu1 n HIS 6 Cb 0.00 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 30.95 1nu1 n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nu1 n LEU 7 N 0.04 1.58 0.00 2.41 4.77 -1.24 -4.93 117.00 119.63 1nu1 n LEU 7 Ca 0.09 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 1nu1 n LEU 7 Cb 0.99 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.94 1nu1 n LEU 7 CO -0.03 -0.14 0.15 1.07 -1.33 0.00 0.00 177.39 177.10 1nu1 n THR 8 N -1.15 0.00 -3.71 -5.08 5.66 -1.26 -5.17 114.28 103.57 1nu1 n THR 8 Ca 0.00 -0.80 -0.36 0.00 -3.05 0.00 0.00 64.05 59.84 1nu1 n THR 8 Cb 0.00 0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 69.26 1nu1 n THR 8 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1nu1 s ARG 9 N -2.30 4.01 -0.09 1.09 3.52 -1.26 -5.04 118.95 118.89 1nu1 s ARG 9 Ca 0.13 -0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1nu1 s ARG 9 Cb -0.01 -3.36 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1nu1 s ARG 9 CO 0.09 0.42 0.20 0.08 -0.81 0.00 0.00 175.30 175.28 1nu1 s VAL 10 N -0.02 -0.09 0.05 7.11 1.01 -1.26 -5.15 120.40 122.05 1nu1 s VAL 10 Ca 0.12 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.35 1nu1 s VAL 10 Cb -0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1nu1 s VAL 10 CO 0.02 0.08 -0.15 -0.13 0.00 0.00 0.00 175.10 174.91 1nu1 s ARG 11 N 1.41 0.95 -0.84 2.72 0.52 -1.26 -4.88 118.95 117.58 1nu1 s ARG 11 Ca -0.07 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 1nu1 s ARG 11 Cb -0.11 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.38 1nu1 s ARG 11 CO -0.07 0.24 0.00 0.72 0.02 0.00 0.00 175.30 176.20 1nu1 n HIS 12 N 1.70 0.00 -3.77 -0.53 8.25 -1.26 -5.02 115.22 114.59 1nu1 n HIS 12 Ca -0.19 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.91 1nu1 n HIS 12 Cb 0.54 -1.82 -0.12 0.00 1.12 0.00 0.00 29.99 29.71 1nu1 n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nu1 s VAL 13 N -2.12 4.30 0.14 1.59 1.01 -1.26 -5.09 120.40 118.98 1nu1 s VAL 13 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1nu1 s VAL 13 Cb 0.00 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 1nu1 s VAL 13 CO 0.00 0.35 0.52 -0.63 0.00 0.00 0.00 175.10 175.33 1nu1 s ILE 14 N 1.56 4.91 -0.26 2.22 1.01 -1.26 -5.08 121.20 124.31 1nu1 s ILE 14 Ca 0.06 0.70 -0.01 0.00 0.00 0.00 0.00 60.65 61.40 1nu1 s ILE 14 Cb -0.15 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.70 1nu1 s ILE 14 CO 0.03 0.21 0.04 -0.89 0.00 0.00 0.00 174.94 174.33 1nu1 s THR 15 N -1.50 0.98 -0.16 2.92 2.01 -1.26 -5.12 115.64 113.51 1nu1 s THR 15 Ca 0.38 -1.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.01 1nu1 s THR 15 Cb -0.14 -1.54 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 1nu1 s THR 15 CO 0.19 -0.39 0.75 -0.31 -0.69 0.00 0.00 174.62 174.18 1nu1 s TYR 16 N 1.61 3.44 0.28 4.92 1.51 -1.26 -5.06 117.35 122.79 1nu1 s TYR 16 Ca 0.03 1.17 0.02 0.00 -1.01 0.00 0.00 57.07 57.27 1nu1 s TYR 16 Cb -0.18 -2.92 -0.05 0.00 -0.11 0.00 0.00 41.96 38.70 1nu1 s TYR 16 CO -0.14 -0.16 0.08 -1.12 -1.11 0.00 0.00 175.55 173.09 1nu1 s SER 17 N 1.11 1.53 -0.03 2.29 0.01 -1.26 -5.16 113.70 112.19 1nu1 s SER 17 Ca 0.36 -1.38 0.01 0.00 1.31 0.00 0.00 55.95 56.24 1nu1 s SER 17 Cb -0.17 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.17 1nu1 s SER 17 CO 0.13 -0.69 -0.02 -0.22 0.41 0.00 0.00 173.24 172.85 1nu1 s LEU 18 N -3.36 1.40 -0.02 2.44 2.96 -1.26 -5.11 118.68 115.74 1nu1 s LEU 18 Ca 0.37 -0.06 -0.36 0.00 -0.22 0.00 0.00 54.13 53.87 1nu1 s LEU 18 Cb 0.08 -0.26 -0.14 0.00 0.50 0.00 0.00 46.19 46.36 1nu1 s LEU 18 CO 0.14 -0.05 1.66 -0.24 -1.32 0.00 0.00 176.35 176.53 1nu1 n SER 19 N 3.84 2.76 0.33 3.68 2.88 -1.26 -4.81 113.62 121.04 1nu1 n SER 19 Ca -0.23 1.05 0.17 0.00 -1.33 0.00 0.00 58.87 58.53 1nu1 n SER 19 Cb 0.52 -1.30 0.90 0.00 -0.75 0.00 0.00 64.21 63.59 1nu1 n SER 19 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1nu1 h PRO 20 N 6.92 0.00 -0.20 -1.46 0.13 -1.99 0.90 132.00 136.30 1nu1 h PRO 20 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1nu1 h PRO 20 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1nu1 h PRO 20 CO 0.90 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.86 1nu1 n PHE 21 N -2.95 0.26 -0.01 1.56 3.01 -1.26 -3.73 117.46 114.35 1nu1 n PHE 21 Ca -0.02 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1nu1 n PHE 21 Cb 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 1nu1 n PHE 21 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1nu1 n GLU 22 N 0.10 -0.38 -4.40 -1.08 1.02 0.31 -5.06 120.64 111.15 1nu1 n GLU 22 Ca 0.09 -0.46 -0.20 0.00 -0.02 0.00 0.00 57.16 56.58 1nu1 n GLU 22 Cb 0.20 -0.96 -0.10 0.00 -0.02 0.00 0.00 31.44 30.56 1nu1 n GLU 22 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1nu1 s GLN 23 N -0.08 1.51 0.03 3.49 -2.07 -1.24 -5.01 119.66 116.29 1nu1 s GLN 23 Ca 0.00 -1.79 -0.20 0.00 -1.82 0.00 0.00 55.36 51.55 1nu1 s GLN 23 Cb 0.00 -0.87 -0.06 0.00 -1.09 0.00 0.00 33.01 30.99 1nu1 s GLN 23 CO 0.00 -0.08 0.59 -0.98 -1.32 0.00 0.00 175.29 173.49 1nu1 s ARG 24 N -3.83 4.27 0.52 9.60 1.70 -1.26 -4.94 118.95 125.01 1nu1 s ARG 24 Ca 0.32 0.74 0.33 0.00 -0.47 0.00 0.00 55.73 56.65 1nu1 s ARG 24 Cb 0.06 -3.30 1.46 0.00 -0.57 0.00 0.00 34.95 32.60 1nu1 s ARG 24 CO 0.12 0.48 1.99 0.00 -1.08 0.00 0.00 175.30 176.81 1nu1 h ALA 25 N 5.17 1.00 -3.10 7.88 0.00 -2.00 -3.33 119.26 124.87 1nu1 h ALA 25 Ca -0.47 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.83 1nu1 h ALA 25 Cb 1.21 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.60 1nu1 h ALA 25 CO 0.67 0.00 -0.74 -0.06 0.00 0.00 0.00 179.25 179.12 1nu1 s PHE 26 N -3.68 2.05 0.00 0.00 0.40 -1.26 -5.09 117.98 110.39 1nu1 s PHE 26 Ca 0.01 -2.27 0.00 0.00 -0.60 0.00 0.00 56.93 54.07 1nu1 s PHE 26 Cb 0.09 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.70 1nu1 s PHE 26 CO 0.49 -0.82 0.00 -2.30 0.70 0.00 0.00 175.22 173.29 1nu1 n PRO 27 N 4.00 1.93 -1.21 0.24 -0.02 -1.25 -4.51 135.00 134.17 1nu1 n PRO 27 Ca 0.05 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.35 1nu1 n PRO 27 Cb 0.37 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.76 1nu1 n PRO 27 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1nu1 n HIS 28 N -0.20 0.50 -0.15 6.00 8.25 -1.26 -4.60 115.22 123.76 1nu1 n HIS 28 Ca 0.00 -0.20 -0.06 0.00 -0.26 0.00 0.00 57.72 57.20 1nu1 n HIS 28 Cb 0.00 -1.73 0.03 0.00 1.12 0.00 0.00 29.99 29.41 1nu1 n HIS 28 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1nu1 h TYR 29 N 10.61 0.52 0.02 4.41 -0.00 -1.97 -1.05 116.97 129.51 1nu1 h TYR 29 Ca 0.06 0.02 -0.37 0.00 -0.00 0.00 0.00 58.73 58.43 1nu1 h TYR 29 Cb 0.90 -0.17 -0.05 0.00 -0.00 0.00 0.00 36.73 37.41 1nu1 h TYR 29 CO 1.10 0.30 -2.10 1.19 -0.00 0.00 0.00 178.16 178.64 1nu1 n PHE 30 N -4.82 0.48 0.00 -3.82 3.72 -1.26 -2.67 117.46 109.09 1nu1 n PHE 30 Ca 0.03 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1nu1 n PHE 30 Cb 0.07 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.56 1nu1 n PHE 30 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nu1 n SER 31 N -3.96 0.00 0.22 4.37 7.64 -1.22 -1.46 113.62 119.21 1nu1 n SER 31 Ca -0.43 0.65 0.11 0.00 1.01 0.00 0.00 58.87 60.21 1nu1 n SER 31 Cb 0.88 -0.15 0.39 0.00 -1.01 0.00 0.00 64.21 64.32 1nu1 n SER 31 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1nu1 h LYS 32 N 0.00 0.00 0.00 1.43 1.57 -1.49 -3.39 116.57 114.69 1nu1 h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1nu1 h LYS 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1nu1 h LYS 32 CO 0.00 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 1nu1 n GLY 33 N 0.50 -2.73 0.23 3.86 0.00 -0.72 -3.03 105.19 103.31 1nu1 n GLY 33 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.11 1nu1 n GLY 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nu1 h ILE 34 N 0.00 0.54 -0.92 -0.61 2.10 -1.39 -1.43 117.51 115.79 1nu1 h ILE 34 Ca 0.00 -0.05 0.22 0.00 1.08 0.00 0.00 64.86 66.11 1nu1 h ILE 34 Cb 0.00 0.36 -0.12 0.00 -1.09 0.00 0.00 36.82 35.97 1nu1 h ILE 34 CO 0.00 0.03 0.45 -0.65 -1.08 0.00 0.00 178.15 176.90 1nu1 h PRO 35 N 0.16 0.45 -0.43 2.19 0.11 -1.75 0.09 132.00 132.82 1nu1 h PRO 35 Ca 0.32 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 1nu1 h PRO 35 Cb 0.51 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 1nu1 h PRO 35 CO -0.49 0.30 0.18 -0.91 -0.21 0.00 0.00 178.00 176.87 1nu1 h ASN 36 N 0.46 0.58 0.40 -2.05 2.35 -1.17 -2.10 115.58 114.05 1nu1 h ASN 36 Ca 0.58 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 56.12 1nu1 h ASN 36 Cb 1.09 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 1nu1 h ASN 36 CO -0.51 0.58 -0.25 1.62 -1.65 0.00 0.00 177.43 177.23 1nu1 h VAL 37 N 0.55 0.95 0.35 2.81 3.04 -0.81 -1.55 116.25 121.58 1nu1 h VAL 37 Ca 0.14 -0.93 -0.02 0.00 -1.01 0.00 0.00 66.70 64.89 1nu1 h VAL 37 Cb 0.18 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1nu1 h VAL 37 CO -0.01 0.24 -0.17 -0.07 -1.01 0.00 0.00 177.57 176.55 1nu1 h LEU 38 N 0.00 -0.40 -1.48 3.16 3.38 -1.17 -2.13 115.31 116.67 1nu1 h LEU 38 Ca -0.00 -0.15 0.27 0.00 0.09 0.00 0.00 57.88 58.09 1nu1 h LEU 38 Cb 0.51 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1nu1 h LEU 38 CO 0.03 0.04 0.69 -0.09 0.09 0.00 0.00 178.44 179.20 1nu1 h ARG 39 N -0.94 0.31 -0.19 1.13 2.43 -1.02 0.35 114.38 116.45 1nu1 h ARG 39 Ca -0.05 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.95 1nu1 h ARG 39 Cb 0.52 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1nu1 h ARG 39 CO 0.08 0.21 -0.47 0.00 -1.51 0.00 0.00 179.97 178.28 1nu1 h ARG 40 N 0.32 0.66 -0.09 0.20 3.08 -1.27 -1.67 114.38 115.60 1nu1 h ARG 40 Ca 0.58 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 1nu1 h ARG 40 Cb 1.61 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.72 1nu1 h ARG 40 CO -0.24 1.07 -0.01 1.15 -1.07 0.00 0.00 179.97 180.87 1nu1 h THR 41 N 0.34 1.27 -0.46 2.04 2.02 0.19 -2.68 112.91 115.64 1nu1 h THR 41 Ca -0.00 -0.88 0.09 0.00 0.77 0.00 0.00 66.41 66.39 1nu1 h THR 41 Cb 1.08 1.68 -0.09 0.00 -1.74 0.00 0.00 68.15 69.08 1nu1 h THR 41 CO 0.10 0.25 -0.15 -0.09 0.37 0.00 0.00 175.52 176.00 1nu1 h ARG 42 N -0.14 -0.04 0.00 6.66 2.43 -0.53 0.34 114.38 123.10 1nu1 h ARG 42 Ca 0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1nu1 h ARG 42 Cb 0.39 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1nu1 h ARG 42 CO 0.01 -0.03 -0.01 0.00 -1.51 0.00 0.00 179.97 178.43 1nu1 h ALA 43 N 1.37 1.31 -0.00 2.80 0.00 -1.18 -3.15 119.26 120.41 1nu1 h ALA 43 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1nu1 h ALA 43 Cb 0.38 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1nu1 h ALA 43 CO -0.49 0.01 -0.15 0.00 0.00 0.00 0.00 179.25 178.62 1nu1 h ILE 45 N 0.47 0.18 0.00 0.00 3.07 -0.91 -2.16 117.51 118.17 1nu1 h ILE 45 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1nu1 h ILE 45 Cb 0.17 0.18 0.00 0.00 -0.27 0.00 0.00 36.82 36.91 1nu1 h ILE 45 CO 0.00 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.28 1nu1 n LEU 46 N -5.50 0.00 -0.04 0.16 4.77 -1.26 -0.21 117.00 114.92 1nu1 n LEU 46 Ca -0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.80 1nu1 n LEU 46 Cb 0.40 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1nu1 n LEU 46 CO 0.28 0.00 -0.78 0.54 -1.33 0.00 0.00 177.39 176.09 1nu1 n ARG 47 N -0.90 0.19 -0.08 3.23 1.74 -1.00 -4.70 116.66 115.15 1nu1 n ARG 47 Ca 0.01 0.07 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1nu1 n ARG 47 Cb 0.00 -0.96 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 1nu1 n ARG 47 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1nu1 h VAL 48 N -0.18 1.07 -0.01 1.55 2.07 -0.75 -3.42 116.25 116.58 1nu1 h VAL 48 Ca -0.20 -1.95 0.03 0.00 0.82 0.00 0.00 66.70 65.40 1nu1 h VAL 48 Cb 1.23 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.13 1nu1 h VAL 48 CO -0.09 0.36 -0.28 0.00 0.02 0.00 0.00 177.57 177.59 1nu1 h ALA 49 N -0.40 -0.38 -0.93 1.67 0.00 -0.79 -3.33 119.26 115.09 1nu1 h ALA 49 Ca -0.10 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.03 1nu1 h ALA 49 Cb 0.88 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 19.04 1nu1 h ALA 49 CO -0.06 -0.78 0.45 -1.35 0.00 0.00 0.00 179.25 177.50 1nu1 h PRO 50 N -0.42 0.42 0.00 0.00 0.11 -1.82 -0.58 132.00 129.72 1nu1 h PRO 50 Ca 0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1nu1 h PRO 50 Cb 0.51 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1nu1 h PRO 50 CO -0.25 0.28 0.00 -2.30 -0.21 0.00 0.00 178.00 175.52 1nu1 n PRO 51 N -5.01 0.23 0.07 1.05 -0.02 -1.25 -1.96 135.00 128.10 1nu1 n PRO 51 Ca 0.24 0.29 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1nu1 n PRO 51 Cb 0.69 -1.82 -0.13 0.00 -0.02 0.00 0.00 33.50 32.22 1nu1 n PRO 51 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1nu1 h PHE 52 N 0.00 0.31 -0.02 6.00 0.04 -1.26 -1.52 116.94 120.49 1nu1 h PHE 52 Ca 0.00 -0.23 -0.22 0.00 2.80 0.00 0.00 57.97 60.32 1nu1 h PHE 52 Cb 0.58 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.72 1nu1 h PHE 52 CO 0.00 1.21 -0.91 -0.39 -0.60 0.00 0.00 178.31 177.62 1nu1 h VAL 53 N 0.05 1.38 -0.35 -0.55 -1.51 -1.48 0.15 116.25 113.93 1nu1 h VAL 53 Ca -0.13 -2.35 0.07 0.00 -1.23 0.00 0.00 66.70 63.06 1nu1 h VAL 53 Cb 1.93 2.34 -0.09 0.00 -2.13 0.00 0.00 31.29 33.34 1nu1 h VAL 53 CO 0.16 0.71 -0.38 0.00 -1.23 0.00 0.00 177.57 176.83 1nu1 h ALA 54 N 0.72 -0.34 -0.73 5.19 0.00 -1.40 0.87 119.26 123.57 1nu1 h ALA 54 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nu1 h ALA 54 Cb 1.54 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 20.07 1nu1 h ALA 54 CO 0.16 -0.81 0.47 0.35 0.00 0.00 0.00 179.25 179.42 1nu1 h PHE 55 N -0.32 0.93 -0.77 0.00 3.04 -1.25 -2.89 116.94 115.67 1nu1 h PHE 55 Ca 0.14 0.02 0.15 0.00 3.98 0.00 0.00 57.97 62.26 1nu1 h PHE 55 Cb 0.57 -0.31 -0.10 0.00 2.56 0.00 0.00 35.95 38.67 1nu1 h PHE 55 CO -0.55 0.59 0.29 -0.92 -2.02 0.00 0.00 178.31 175.70 1nu1 h TYR 56 N 0.99 0.50 0.56 0.41 5.03 0.34 0.90 116.97 125.70 1nu1 h TYR 56 Ca 0.27 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.59 1nu1 h TYR 56 Cb -0.10 -0.10 0.01 0.00 1.55 0.00 0.00 36.73 38.09 1nu1 h TYR 56 CO -0.02 0.03 -0.27 -0.07 -1.32 0.00 0.00 178.16 176.51 1nu1 h LEU 57 N 0.42 -0.64 -1.73 2.82 3.38 0.07 -1.84 115.31 117.79 1nu1 h LEU 57 Ca 0.43 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.65 1nu1 h LEU 57 Cb 0.69 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1nu1 h LEU 57 CO -0.43 -0.31 0.76 0.58 0.09 0.00 0.00 178.44 179.13 1nu1 h VAL 58 N -1.04 0.26 0.16 1.22 2.07 -1.31 0.34 116.25 117.96 1nu1 h VAL 58 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1nu1 h VAL 58 Cb 0.57 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1nu1 h VAL 58 CO 0.13 0.00 -0.08 0.22 0.02 0.00 0.00 177.57 177.86 1nu1 h TYR 59 N 0.00 -0.21 0.00 1.57 3.20 -0.61 -1.94 116.97 118.99 1nu1 h TYR 59 Ca 0.37 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.14 1nu1 h TYR 59 Cb 1.89 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 40.21 1nu1 h TYR 59 CO 0.00 0.20 -0.41 1.79 -1.64 0.00 0.00 178.16 178.10 1nu1 h THR 60 N -0.91 1.17 -0.06 1.81 1.35 0.11 -2.07 112.91 114.31 1nu1 h THR 60 Ca -0.02 -1.48 -0.05 0.00 -0.55 0.00 0.00 66.41 64.30 1nu1 h THR 60 Cb 0.50 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1nu1 h THR 60 CO 0.04 0.40 -0.18 -0.25 -0.25 0.00 0.00 175.52 175.29 1nu1 h TRP 61 N 0.00 0.28 0.00 4.73 7.01 -0.59 -2.35 115.95 125.03 1nu1 h TRP 61 Ca -0.00 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 60.86 1nu1 h TRP 61 Cb 0.79 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.80 1nu1 h TRP 61 CO 0.00 0.80 -0.10 0.78 -2.79 0.00 0.00 178.44 177.12 1nu1 h GLY 62 N -0.31 0.00 0.36 2.65 0.00 -1.24 -0.56 103.07 103.98 1nu1 h GLY 62 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1nu1 h GLY 62 CO 0.04 0.00 -0.06 -0.84 0.00 0.00 0.00 176.54 175.68 1nu1 h THR 63 N 0.00 1.00 0.28 4.70 2.02 -1.36 -2.90 112.91 116.65 1nu1 h THR 63 Ca -0.00 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1nu1 h THR 63 Cb 0.32 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1nu1 h THR 63 CO 0.01 0.26 -0.16 1.56 0.37 0.00 0.00 175.52 177.56 1nu1 h GLN 64 N -0.81 -0.40 -0.88 6.66 4.20 -0.94 -2.63 115.11 120.31 1nu1 h GLN 64 Ca -0.02 0.03 0.14 0.00 0.06 0.00 0.00 58.65 58.86 1nu1 h GLN 64 Cb 0.55 0.09 -0.09 0.00 0.30 0.00 0.00 27.48 28.33 1nu1 h GLN 64 CO 0.03 -0.27 0.49 1.49 -0.67 0.00 0.00 178.83 179.90 1nu1 h GLU 65 N -0.41 0.71 -0.32 1.46 4.57 -1.26 -1.52 114.58 117.81 1nu1 h GLU 65 Ca -0.03 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1nu1 h GLU 65 Cb 0.34 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1nu1 h GLU 65 CO 0.04 0.47 0.20 0.35 -1.18 0.00 0.00 179.01 178.89 1nu1 h PHE 66 N 0.73 0.42 -0.07 0.92 3.57 -1.26 -0.29 116.94 120.97 1nu1 h PHE 66 Ca 0.47 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.87 1nu1 h PHE 66 Cb 0.59 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1nu1 h PHE 66 CO -0.06 0.30 -0.41 0.93 -2.23 0.00 0.00 178.31 176.84 1nu1 h GLU 67 N 0.42 0.16 0.00 1.11 5.08 -1.18 -2.84 114.58 117.33 1nu1 h GLU 67 Ca 0.12 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1nu1 h GLU 67 Cb -0.01 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1nu1 h GLU 67 CO -0.02 0.55 -0.18 0.87 -1.00 0.00 0.00 179.01 179.23 1nu1 h LYS 68 N 0.13 0.00 0.00 2.33 1.57 -1.01 -3.23 116.57 116.36 1nu1 h LYS 68 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1nu1 h LYS 68 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1nu1 h LYS 68 CO 0.06 0.10 0.00 0.45 -0.57 0.00 0.00 179.45 179.49 1nu1 n SER 69 N -3.09 0.00 -1.91 0.86 2.88 -0.14 -3.37 113.62 108.85 1nu1 n SER 69 Ca 0.03 0.38 -0.22 0.00 -1.33 0.00 0.00 58.87 57.72 1nu1 n SER 69 Cb 0.57 -0.46 0.10 0.00 -0.75 0.00 0.00 64.21 63.67 1nu1 n SER 69 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1nu1 n LYS 70 N -1.46 2.77 -4.25 -1.46 5.02 -1.22 -4.92 118.16 112.64 1nu1 n LYS 70 Ca 0.08 -3.57 -0.14 0.00 -2.02 0.00 0.00 58.31 52.66 1nu1 n LYS 70 Cb 0.29 -2.16 -0.10 0.00 -0.02 0.00 0.00 35.03 33.04 1nu1 n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nu1 s ARG 71 N -3.57 1.29 0.16 1.97 0.52 -1.22 -5.09 118.95 113.02 1nu1 s ARG 71 Ca 0.54 -1.69 -0.20 0.00 -0.52 0.00 0.00 55.73 53.86 1nu1 s ARG 71 Cb 0.45 0.03 0.05 0.00 0.52 0.00 0.00 34.95 36.00 1nu1 s ARG 71 CO 0.02 -0.34 0.55 0.21 0.02 0.00 0.00 175.30 175.75 1nu1 s LYS 72 N -4.10 1.27 0.00 3.54 2.47 -1.26 -5.07 119.74 116.59 1nu1 s LYS 72 Ca 0.38 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 54.18 1nu1 s LYS 72 Cb 0.07 0.55 0.00 0.00 -1.46 0.00 0.00 37.83 36.99 1nu1 s LYS 72 CO 0.13 -0.54 0.00 -1.71 0.16 0.00 0.00 175.35 173.38 1nu1 n ASN 73 N -0.34 0.00 -4.41 1.43 2.85 -1.26 -5.11 115.26 108.42 1nu1 n ASN 73 Ca -0.15 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.03 1nu1 n ASN 73 Cb 0.64 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.81 1nu1 n ASN 73 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 1nu1 s PRO 74 N 0.00 1.13 0.00 1.20 0.02 -1.26 -5.36 135.00 130.74 1nu1 s PRO 74 Ca 0.00 -0.31 0.00 0.00 0.02 0.00 0.00 61.00 60.71 1nu1 s PRO 74 Cb 0.00 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.60 1nu1 s PRO 74 CO 0.00 -2.08 0.00 0.00 -0.33 0.00 0.00 177.00 174.59