#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir n SER 2 N 0.00 2.23 -3.64 1.61 3.41 -1.26 -5.07 113.62 110.90 2dir n SER 2 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2dir n SER 2 Cb 0.00 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.86 2dir n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dir s SER 3 N -4.54 -0.95 -0.11 4.04 1.04 -1.26 -5.05 113.70 106.87 2dir s SER 3 Ca -0.01 1.47 -0.00 0.00 0.48 0.00 0.00 55.95 57.89 2dir s SER 3 Cb 0.00 1.56 0.00 0.00 0.10 0.00 0.00 66.02 67.69 2dir s SER 3 CO 0.02 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2dir n GLY 4 N 4.51 -1.45 3.27 7.32 0.00 -1.26 -4.87 105.19 112.70 2dir n GLY 4 Ca -0.18 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2dir n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dir n SER 5 N 1.09 -2.74 -3.64 1.61 2.88 -1.26 -5.03 113.62 106.52 2dir n SER 5 Ca -0.00 0.08 -0.02 0.00 -1.33 0.00 0.00 58.87 57.61 2dir n SER 5 Cb 0.33 -0.97 -0.04 0.00 -0.75 0.00 0.00 64.21 62.78 2dir n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dir s SER 6 N -1.72 -1.11 -0.54 -3.46 0.15 -1.26 -5.12 113.70 100.63 2dir s SER 6 Ca 0.52 1.55 -0.27 0.00 0.70 0.00 0.00 55.95 58.46 2dir s SER 6 Cb -0.13 2.19 0.03 0.00 -1.71 0.00 0.00 66.02 66.40 2dir s SER 6 CO 0.68 -0.22 1.07 -0.83 1.20 0.00 0.00 173.24 175.15 2dir s GLY 7 N 2.75 1.29 -1.06 9.45 0.00 -1.26 -4.96 107.32 113.52 2dir s GLY 7 Ca -0.06 -0.88 -0.20 0.00 0.00 0.00 0.00 44.72 43.58 2dir s GLY 7 CO -0.19 2.29 1.40 1.25 0.00 0.00 0.00 173.10 177.85 2dir s LYS 8 N 4.41 3.72 0.32 2.90 2.47 -1.26 -4.86 119.74 127.44 2dir s LYS 8 Ca 0.39 -1.63 0.07 0.00 -1.56 0.00 0.00 55.97 53.25 2dir s LYS 8 Cb -0.09 -5.22 0.92 0.00 -1.46 0.00 0.00 37.83 31.98 2dir s LYS 8 CO 0.25 -2.03 1.59 0.00 0.16 0.00 0.00 175.35 175.31 2dir h ALA 9 N 8.83 1.48 -0.99 3.13 0.00 -1.98 0.32 119.26 130.06 2dir h ALA 9 Ca 0.24 0.30 0.28 0.00 0.00 0.00 0.00 54.91 55.73 2dir h ALA 9 Cb 0.98 0.47 -0.18 0.00 0.00 0.00 0.00 17.79 19.05 2dir h ALA 9 CO 1.32 -0.66 0.05 0.35 0.00 0.00 0.00 179.25 180.31 2dir h PHE 10 N 0.05 -0.01 0.09 0.00 3.57 -2.00 0.17 116.94 118.82 2dir h PHE 10 Ca 0.66 0.07 -0.13 0.00 3.53 0.00 0.00 57.97 62.10 2dir h PHE 10 Cb 1.50 0.16 0.01 0.00 2.79 0.00 0.00 35.95 40.42 2dir h PHE 10 CO -0.32 -0.44 -0.60 -0.07 -2.23 0.00 0.00 178.31 174.66 2dir h LEU 11 N 0.01 0.31 -0.46 0.59 3.38 -0.79 -3.02 115.31 115.34 2dir h LEU 11 Ca 0.61 -0.96 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2dir h LEU 11 Cb 1.29 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2dir h LEU 11 CO -0.92 1.28 -0.44 -0.33 0.09 0.00 0.00 178.44 178.13 2dir h GLU 12 N -0.57 -0.29 0.61 1.13 4.39 -0.31 0.64 114.58 120.18 2dir h GLU 12 Ca -0.11 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2dir h GLU 12 Cb 1.44 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 30.17 2dir h GLU 12 CO 0.09 -0.19 -0.29 0.22 -1.16 0.00 0.00 179.01 177.68 2dir h ASP 13 N -0.30 -0.70 -0.57 1.42 3.58 -0.93 -3.17 116.42 115.75 2dir h ASP 13 Ca 0.15 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.68 2dir h ASP 13 Cb 0.58 0.18 -0.09 0.00 1.72 0.00 0.00 39.33 41.72 2dir h ASP 13 CO -0.61 -0.50 -0.50 -0.03 -2.88 0.00 0.00 179.24 174.73 2dir h MET 14 N -0.82 -0.19 0.00 0.28 4.05 -1.28 -2.45 114.93 114.52 2dir h MET 14 Ca -0.08 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2dir h MET 14 Cb 0.63 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2dir h MET 14 CO 0.14 -0.13 0.00 1.63 0.23 0.00 0.00 176.91 178.78 2dir n LYS 15 N -4.99 0.00 -0.20 0.39 5.02 0.17 0.06 118.16 118.60 2dir n LYS 15 Ca -0.01 0.74 -0.05 0.00 -2.02 0.00 0.00 58.31 56.97 2dir n LYS 15 Cb 0.27 -1.14 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 2dir n LYS 15 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2dir n LYS 16 N -2.58 -0.21 -0.01 1.97 4.81 -0.97 0.04 118.16 121.21 2dir n LYS 16 Ca 0.00 1.23 -0.02 0.00 -0.87 0.00 0.00 58.31 58.65 2dir n LYS 16 Cb 0.00 -1.82 -0.01 0.00 0.02 0.00 0.00 35.03 33.22 2dir n LYS 16 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 2dir h TYR 17 N 0.00 -0.21 -1.40 5.64 3.20 -0.78 0.61 116.97 124.03 2dir h TYR 17 Ca 0.08 0.01 0.45 0.00 3.14 0.00 0.00 58.73 62.40 2dir h TYR 17 Cb 0.19 0.10 -0.12 0.00 1.54 0.00 0.00 36.73 38.44 2dir h TYR 17 CO -0.97 -0.07 0.92 0.00 -1.64 0.00 0.00 178.16 176.40 2dir h ALA 18 N -1.24 2.89 -0.30 1.82 0.00 0.14 0.53 119.26 123.09 2dir h ALA 18 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dir h ALA 18 Cb 0.08 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dir h ALA 18 CO -0.06 -1.50 0.00 -1.91 0.00 0.00 0.00 179.25 175.78 2dir n GLU 19 N -4.58 0.00 0.13 0.00 2.13 0.11 0.32 120.64 118.74 2dir n GLU 19 Ca 0.38 0.45 0.07 0.00 0.66 0.00 0.00 57.16 58.72 2dir n GLU 19 Cb 1.49 -1.22 0.40 0.00 0.27 0.00 0.00 31.44 32.39 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2dir n THR 20 N -1.85 1.00 -0.04 6.31 5.66 -0.00 0.47 114.28 125.82 2dir n THR 20 Ca 0.00 0.70 -0.19 0.00 -3.05 0.00 0.00 64.05 61.51 2dir n THR 20 Cb 0.00 -1.70 -0.14 0.00 -1.55 0.00 0.00 70.33 66.95 2dir n THR 20 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2dir n PHE 21 N -2.03 0.83 1.33 1.09 7.35 0.18 -4.18 117.46 122.03 2dir n PHE 21 Ca -0.01 0.19 0.13 0.00 -0.76 0.00 0.00 57.45 57.00 2dir n PHE 21 Cb 0.15 -1.11 0.42 0.00 0.35 0.00 0.00 39.48 39.28 2dir n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2dir n LEU 22 N -3.34 1.27 -0.22 -2.13 4.77 0.15 -4.37 117.00 113.12 2dir n LEU 22 Ca -0.34 -0.38 -0.10 0.00 -0.03 0.00 0.00 56.01 55.16 2dir n LEU 22 Cb 1.04 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 42.00 2dir n LEU 22 CO 0.38 0.22 0.54 -0.33 -1.33 0.00 0.00 177.39 176.88 2dir h GLU 23 N 1.74 -0.24 0.00 3.23 5.08 -0.15 1.52 114.58 125.76 2dir h GLU 23 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dir h GLU 23 Cb 0.52 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2dir h GLU 23 CO 0.00 -0.16 0.00 -0.35 -1.00 0.00 0.00 179.01 177.50 2dir n PRO 24 N -5.38 0.16 -0.01 2.33 -0.04 -1.26 0.34 135.00 131.14 2dir n PRO 24 Ca 0.00 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2dir n PRO 24 Cb 0.34 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 2dir n PRO 24 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dir n TRP 25 N -1.34 0.00 0.00 0.54 8.01 0.25 -4.61 117.44 120.29 2dir n TRP 25 Ca 0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.25 2dir n TRP 25 Cb 0.13 -0.37 0.00 0.00 -2.01 0.00 0.00 31.31 29.06 2dir n TRP 25 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 2dir n PHE 26 N -2.06 0.00 -2.55 -5.99 3.72 0.45 -4.50 117.46 106.54 2dir n PHE 26 Ca -0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.96 2dir n PHE 26 Cb 0.42 0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 2dir n PHE 26 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2dir s LYS 27 N -1.48 4.61 0.89 -1.08 2.20 1.04 -4.00 119.74 121.91 2dir s LYS 27 Ca 0.00 1.67 -0.17 0.00 -0.36 0.00 0.00 55.97 57.12 2dir s LYS 27 Cb 0.00 -3.30 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 2dir s LYS 27 CO 0.00 0.09 -0.49 0.00 -0.36 0.00 0.00 175.35 174.59 2dir n ALA 28 N 2.48 -4.55 0.66 3.13 0.00 -1.26 -2.40 120.51 118.56 2dir n ALA 28 Ca 0.03 -0.54 0.07 0.00 0.00 0.00 0.00 53.44 53.00 2dir n ALA 28 Cb 0.47 -1.29 0.36 0.00 0.00 0.00 0.00 19.45 18.98 2dir n ALA 28 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2dir n PRO 29 N 1.73 0.17 -2.50 0.00 -0.04 -1.26 -4.80 135.00 128.30 2dir n PRO 29 Ca 0.01 0.17 -0.33 0.00 -0.04 0.00 0.00 63.50 63.31 2dir n PRO 29 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2dir n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2dir s ASN 30 N -2.64 6.39 -0.11 3.54 0.01 -1.01 -5.05 114.94 116.07 2dir s ASN 30 Ca 0.13 1.83 -0.33 0.00 -0.71 0.00 0.00 52.86 53.77 2dir s ASN 30 Cb 0.10 -2.55 0.13 0.00 0.41 0.00 0.00 41.25 39.34 2dir s ASN 30 CO 0.23 -0.74 1.23 -1.59 -1.51 0.00 0.00 177.10 174.71 2dir s LYS 31 N -3.45 0.37 0.00 -0.60 -2.85 -1.26 -3.88 119.74 108.07 2dir s LYS 31 Ca 0.65 -0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 2dir s LYS 31 Cb -0.14 0.15 0.00 0.00 -2.06 0.00 0.00 37.83 35.78 2dir s LYS 31 CO 0.23 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.92 2dir n GLY 32 N -0.25 0.23 3.95 0.59 0.00 -1.26 -4.99 105.19 103.46 2dir n GLY 32 Ca -0.03 -1.44 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 2dir n GLY 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dir s THR 33 N -3.21 2.74 0.08 2.61 -4.23 -1.26 -1.39 115.64 110.98 2dir s THR 33 Ca 0.00 -1.16 -0.27 0.00 -1.18 0.00 0.00 61.69 59.08 2dir s THR 33 Cb 0.00 -2.90 0.09 0.00 1.34 0.00 0.00 72.50 71.02 2dir s THR 33 CO 0.00 0.00 1.06 0.72 -0.54 0.00 0.00 174.62 175.86 2dir s PHE 34 N -2.44 -0.12 -0.13 3.99 -0.71 -1.23 -2.34 117.98 114.99 2dir s PHE 34 Ca 0.52 -0.11 -0.03 0.00 -1.04 0.00 0.00 56.93 56.27 2dir s PHE 34 Cb -0.07 0.60 0.05 0.00 -1.21 0.00 0.00 43.02 42.39 2dir s PHE 34 CO 0.31 -0.62 0.05 1.14 -1.34 0.00 0.00 175.22 174.76 2dir s GLN 35 N -2.98 0.34 0.25 1.99 -2.07 -0.57 0.56 119.66 117.19 2dir s GLN 35 Ca 0.12 -0.06 -0.21 0.00 -1.82 0.00 0.00 55.36 53.39 2dir s GLN 35 Cb 0.01 -1.49 -0.09 0.00 -1.09 0.00 0.00 33.01 30.34 2dir s GLN 35 CO -0.01 -0.52 0.78 0.42 -1.32 0.00 0.00 175.29 174.65 2dir s ILE 36 N 2.02 4.48 -0.11 3.63 1.01 -1.26 -2.21 121.20 128.77 2dir s ILE 36 Ca 0.02 1.41 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 2dir s ILE 36 Cb -0.15 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.50 2dir s ILE 36 CO -0.07 0.17 0.22 -0.69 0.00 0.00 0.00 174.94 174.57 2dir s VAL 37 N -1.57 -0.31 -0.48 2.92 1.01 -1.00 -4.98 120.40 115.98 2dir s VAL 37 Ca 0.45 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.50 2dir s VAL 37 Cb -0.17 -0.38 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2dir s VAL 37 CO 0.21 0.12 0.79 -0.47 0.00 0.00 0.00 175.10 175.75 2dir s TYR 38 N 2.21 2.95 -0.01 5.22 5.04 -1.26 -1.38 117.35 130.12 2dir s TYR 38 Ca 0.00 -0.00 -0.01 0.00 -2.44 0.00 0.00 57.07 54.63 2dir s TYR 38 Cb -0.12 -3.72 -0.04 0.00 0.35 0.00 0.00 41.96 38.43 2dir s TYR 38 CO -0.07 -1.08 0.08 0.15 -1.34 0.00 0.00 175.55 173.28 2dir s LYS 39 N 3.33 3.06 -0.01 4.97 1.02 -0.61 -4.97 119.74 126.52 2dir s LYS 39 Ca 0.27 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.79 2dir s LYS 39 Cb -0.13 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 2dir s LYS 39 CO 0.20 0.65 -0.02 -1.54 -0.92 0.00 0.00 175.35 173.73 2dir s SER 40 N -1.67 0.33 -0.03 2.83 1.04 -1.26 -2.82 113.70 112.13 2dir s SER 40 Ca 0.22 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.55 2dir s SER 40 Cb -0.12 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 2dir s SER 40 CO 0.13 -0.02 -0.13 -1.14 0.98 0.00 0.00 173.24 173.06 2dir n ARG 41 N 3.41 0.20 -0.01 4.02 3.00 -1.25 -4.91 116.66 121.12 2dir n ARG 41 Ca -0.18 0.08 -0.00 0.00 -0.00 0.00 0.00 57.85 57.75 2dir n ARG 41 Cb 0.56 -0.84 -0.00 0.00 0.00 0.00 0.00 32.46 32.17 2dir n ARG 41 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2dir h ASN 42 N -0.36 -0.01 -3.89 6.15 -1.24 -1.98 -3.50 115.58 110.74 2dir h ASN 42 Ca -0.07 0.00 0.09 0.00 0.71 0.00 0.00 56.30 57.03 2dir h ASN 42 Cb 0.60 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.41 2dir h ASN 42 CO -0.04 0.14 0.55 0.21 -1.29 0.00 0.00 177.43 177.00 2dir s ASN 43 N -3.72 -0.36 0.00 1.15 3.84 -1.26 -5.11 114.94 109.48 2dir s ASN 43 Ca -0.00 0.46 0.00 0.00 0.21 0.00 0.00 52.86 53.53 2dir s ASN 43 Cb 0.00 0.38 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2dir s ASN 43 CO 0.01 -0.29 0.04 -1.20 -2.79 0.00 0.00 177.10 172.87 2dir n SER 44 N 0.98 0.00 -3.23 -4.21 7.64 -1.26 -4.94 113.62 108.60 2dir n SER 44 Ca -0.10 0.33 -0.23 0.00 1.01 0.00 0.00 58.87 59.87 2dir n SER 44 Cb 0.58 -0.30 0.05 0.00 -1.01 0.00 0.00 64.21 63.52 2dir n SER 44 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2dir n HIS 45 N -1.40 -2.29 -3.65 1.43 -0.00 -1.26 -4.96 115.22 103.09 2dir n HIS 45 Ca 0.00 0.70 -0.03 0.00 0.46 0.00 0.00 57.72 58.84 2dir n HIS 45 Cb 0.00 -4.67 -0.07 0.00 -0.12 0.00 0.00 29.99 25.13 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dir s VAL 46 N -3.23 0.00 -0.84 3.57 0.11 -1.26 -5.09 120.40 113.67 2dir s VAL 46 Ca 0.41 0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 59.21 2dir s VAL 46 Cb -0.18 -1.00 -0.19 0.00 -1.53 0.00 0.00 36.38 33.48 2dir s VAL 46 CO 0.50 0.00 2.23 -0.46 -3.33 0.00 0.00 175.10 174.05 2dir n ASN 47 N 2.54 0.18 0.02 3.54 0.23 -1.26 -4.76 115.26 115.74 2dir n ASN 47 Ca -0.14 0.12 -0.12 0.00 -0.53 0.00 0.00 54.58 53.91 2dir n ASN 47 Cb 0.57 -0.75 -0.08 0.00 -2.08 0.00 0.00 39.78 37.43 2dir n ASN 47 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2dir h ARG 48 N 9.99 0.00 -0.04 -3.83 2.43 -1.98 -2.96 114.38 117.99 2dir h ARG 48 Ca -0.04 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2dir h ARG 48 Cb 1.09 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 2dir h ARG 48 CO 1.17 0.21 -0.18 1.05 -1.51 0.00 0.00 179.97 180.71 2dir h GLU 49 N -0.21 -0.26 -0.57 0.20 4.11 -2.00 -2.80 114.58 113.04 2dir h GLU 49 Ca 0.00 0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.52 2dir h GLU 49 Cb 0.21 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 2dir h GLU 49 CO -0.00 -0.18 -0.52 0.93 0.07 0.00 0.00 179.01 179.32 2dir h GLU 50 N -0.27 -0.26 -0.91 1.06 3.07 -1.93 0.39 114.58 115.72 2dir h GLU 50 Ca 0.07 0.02 0.24 0.00 -0.50 0.00 0.00 59.36 59.19 2dir h GLU 50 Cb 0.37 0.06 -0.13 0.00 -0.84 0.00 0.00 28.75 28.21 2dir h GLU 50 CO -0.20 -0.17 0.38 0.28 -1.40 0.00 0.00 179.01 177.90 2dir h VAL 51 N -0.27 0.39 0.14 3.13 2.07 -1.33 0.50 116.25 120.89 2dir h VAL 51 Ca 0.13 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2dir h VAL 51 Cb 0.56 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2dir h VAL 51 CO -0.69 0.06 -0.07 0.40 0.02 0.00 0.00 177.57 177.29 2dir h ILE 52 N 0.33 0.00 -1.33 4.57 2.04 -0.41 -0.29 117.51 122.42 2dir h ILE 52 Ca 0.59 -0.20 0.39 0.00 1.00 0.00 0.00 64.86 66.64 2dir h ILE 52 Cb 1.20 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 2dir h ILE 52 CO -0.58 0.00 0.95 0.03 0.00 0.00 0.00 178.15 178.55 2dir h ARG 53 N -0.40 0.01 0.08 2.37 3.08 -0.09 -1.05 114.38 118.38 2dir h ARG 53 Ca -0.02 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2dir h ARG 53 Cb 0.15 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2dir h ARG 53 CO 0.03 0.01 -0.04 1.49 -1.07 0.00 0.00 179.97 180.39 2dir h GLU 54 N 0.01 -0.11 -1.37 0.04 4.22 -0.04 -2.65 114.58 114.68 2dir h GLU 54 Ca 0.64 0.01 0.42 0.00 0.08 0.00 0.00 59.36 60.51 2dir h GLU 54 Cb 2.53 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 31.70 2dir h GLU 54 CO -0.02 0.05 0.91 -0.07 -2.18 0.00 0.00 179.01 177.71 2dir h LEU 55 N -1.02 0.21 0.06 1.64 3.38 0.21 0.55 115.31 120.34 2dir h LEU 55 Ca -0.01 0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 2dir h LEU 55 Cb 0.21 0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.05 2dir h LEU 55 CO 0.02 -0.10 -0.74 0.00 0.09 0.00 0.00 178.44 177.71 2dir h ALA 56 N 1.49 0.01 -0.31 1.53 0.00 -1.44 -3.19 119.26 117.36 2dir h ALA 56 Ca 0.78 -0.63 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2dir h ALA 56 Cb 2.58 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 2dir h ALA 56 CO -0.29 0.39 0.26 0.78 0.00 0.00 0.00 179.25 180.39 2dir h GLY 57 N -0.15 0.00 0.93 0.00 0.00 0.44 -1.60 103.07 102.68 2dir h GLY 57 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.03 2dir h GLY 57 CO 0.14 0.00 -0.74 -2.22 0.00 0.00 0.00 176.54 173.73 2dir h ILE 58 N 0.00 1.38 -0.31 2.60 2.04 -1.37 -3.21 117.51 118.63 2dir h ILE 58 Ca 0.15 -2.12 0.07 0.00 1.00 0.00 0.00 64.86 63.96 2dir h ILE 58 Cb 0.66 2.50 -0.08 0.00 -0.74 0.00 0.00 36.82 39.16 2dir h ILE 58 CO -0.00 0.63 -0.37 0.58 0.00 0.00 0.00 178.15 178.99 2dir h VAL 59 N 0.07 0.19 -0.91 1.67 2.07 -1.27 0.31 116.25 118.38 2dir h VAL 59 Ca -0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 2dir h VAL 59 Cb 1.43 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 2dir h VAL 59 CO 0.15 0.00 0.58 0.00 0.02 0.00 0.00 177.57 178.32 2dir h THR 61 N 0.83 0.90 0.19 0.00 2.02 -0.94 -3.06 112.91 112.85 2dir h THR 61 Ca 0.44 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 2dir h THR 61 Cb 0.54 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 2dir h THR 61 CO -0.20 0.06 -0.09 -0.07 0.37 0.00 0.00 175.52 175.58 2dir h LEU 62 N 0.32 -0.22 -7.70 2.58 3.38 -0.58 -3.45 115.31 109.64 2dir h LEU 62 Ca 0.24 0.01 -0.55 0.00 0.09 0.00 0.00 57.88 57.66 2dir h LEU 62 Cb 0.51 0.06 -0.37 0.00 0.09 0.00 0.00 40.66 40.95 2dir h LEU 62 CO -0.05 -0.03 -0.80 0.21 0.09 0.00 0.00 178.44 177.85 2dir s ASN 63 N -3.59 2.52 0.59 -0.43 3.84 -1.13 -4.67 114.94 112.07 2dir s ASN 63 Ca -0.04 -0.47 0.29 0.00 0.21 0.00 0.00 52.86 52.85 2dir s ASN 63 Cb 0.00 -0.93 1.55 0.00 -0.55 0.00 0.00 41.25 41.32 2dir s ASN 63 CO 0.11 -0.13 1.97 0.28 -2.79 0.00 0.00 177.10 176.54 2dir h SER 64 N 8.13 0.00 0.64 -4.21 0.02 -1.87 0.40 113.55 116.66 2dir h SER 64 Ca -0.29 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2dir h SER 64 Cb 1.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 2dir h SER 64 CO 0.43 0.00 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.59 2dir h GLU 65 N 0.00 0.00 -6.70 3.45 4.39 -1.94 -3.44 114.58 110.34 2dir h GLU 65 Ca 0.16 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.33 2dir h GLU 65 Cb 0.90 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.60 2dir h GLU 65 CO -0.00 0.20 0.78 -0.80 -1.16 0.00 0.00 179.01 178.02 2dir s ASN 66 N -6.22 6.66 -0.24 1.42 0.01 0.14 -4.39 114.94 112.31 2dir s ASN 66 Ca -0.01 2.62 -0.03 0.00 -0.71 0.00 0.00 52.86 54.74 2dir s ASN 66 Cb 0.12 -2.61 0.11 0.00 0.41 0.00 0.00 41.25 39.28 2dir s ASN 66 CO 0.62 -0.72 0.26 -0.54 -1.51 0.00 0.00 177.10 175.22 2dir s LYS 67 N 0.03 0.26 -0.03 -0.60 -0.14 -0.48 -4.69 119.74 114.09 2dir s LYS 67 Ca 0.62 0.09 -0.30 0.00 -1.36 0.00 0.00 55.97 55.02 2dir s LYS 67 Cb -0.42 -0.93 -0.07 0.00 -1.68 0.00 0.00 37.83 34.74 2dir s LYS 67 CO 0.40 -0.80 1.85 0.54 -0.76 0.00 0.00 175.35 176.58 2dir s VAL 68 N 2.36 3.26 0.10 3.17 0.11 -1.26 -3.57 120.40 124.56 2dir s VAL 68 Ca 0.09 0.31 0.09 0.00 -2.93 0.00 0.00 61.98 59.54 2dir s VAL 68 Cb -0.15 -3.21 -0.03 0.00 -1.53 0.00 0.00 36.38 31.45 2dir s VAL 68 CO -0.21 -0.04 -0.23 -0.62 -3.33 0.00 0.00 175.10 170.67 2dir s ASP 69 N 4.30 2.79 0.00 3.54 2.15 0.19 -4.82 116.67 124.83 2dir s ASP 69 Ca 0.83 -0.68 0.08 0.00 0.43 0.00 0.00 52.55 53.22 2dir s ASP 69 Cb -0.38 -0.18 0.13 0.00 -0.30 0.00 0.00 42.92 42.20 2dir s ASP 69 CO 0.36 0.12 0.93 0.18 -0.17 0.00 0.00 175.17 176.59 2dir n LEU 70 N 1.18 2.09 -0.11 -1.34 4.77 -1.26 -3.72 117.00 118.61 2dir n LEU 70 Ca -0.19 -1.38 -0.24 0.00 -0.03 0.00 0.00 56.01 54.17 2dir n LEU 70 Cb 0.53 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 2dir n LEU 70 CO 0.23 0.47 -1.27 0.41 -1.33 0.00 0.00 177.39 175.89 2dir n THR 71 N 0.40 1.23 -2.95 -5.08 -1.04 -1.26 -4.80 114.28 100.78 2dir n THR 71 Ca 0.06 -0.31 -0.19 0.00 -2.04 0.00 0.00 64.05 61.57 2dir n THR 71 Cb 0.28 -1.81 -0.02 0.00 -1.82 0.00 0.00 70.33 66.97 2dir n THR 71 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2dir n ASN 72 N -4.01 2.17 -4.75 8.00 4.13 -1.26 -5.10 115.26 114.43 2dir n ASN 72 Ca -0.44 -3.17 -0.41 0.00 1.68 0.00 0.00 54.58 52.24 2dir n ASN 72 Cb 0.81 -0.57 -0.03 0.00 -1.54 0.00 0.00 39.78 38.45 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2dir s PRO 73 N -2.92 4.44 -0.08 3.52 0.04 -1.26 -4.87 135.00 133.87 2dir s PRO 73 Ca 0.40 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.51 2dir s PRO 73 Cb 0.36 -3.15 -0.25 0.00 0.04 0.00 0.00 34.50 31.50 2dir s PRO 73 CO -0.08 -0.12 0.52 1.96 0.04 0.00 0.00 177.00 179.32 2dir h GLN 74 N 4.29 0.16 -4.65 4.56 1.08 -1.87 -3.34 115.11 115.34 2dir h GLN 74 Ca -0.47 -0.27 -0.56 0.00 -1.45 0.00 0.00 58.65 55.91 2dir h GLN 74 Cb 1.22 0.10 -0.34 0.00 -0.05 0.00 0.00 27.48 28.41 2dir h GLN 74 CO 0.70 0.91 -0.83 0.71 -0.95 0.00 0.00 178.83 179.38 2dir s TYR 75 N -2.58 1.75 -0.40 2.96 2.02 -0.99 -3.25 117.35 116.86 2dir s TYR 75 Ca -0.14 -0.76 -0.15 0.00 -0.37 0.00 0.00 57.07 55.65 2dir s TYR 75 Cb 0.07 -1.28 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 2dir s TYR 75 CO 0.80 -0.40 0.31 0.99 -1.57 0.00 0.00 175.55 175.68 2dir s THR 76 N 0.89 5.24 -0.50 -0.71 2.01 -0.28 -1.50 115.64 120.78 2dir s THR 76 Ca -0.09 -0.54 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 2dir s THR 76 Cb -0.15 -3.91 0.12 0.00 0.01 0.00 0.00 72.50 68.56 2dir s THR 76 CO 0.01 -0.28 0.42 0.68 -0.69 0.00 0.00 174.62 174.76 2dir s VAL 77 N 1.75 4.77 0.06 3.82 -7.23 -0.94 -1.56 120.40 121.07 2dir s VAL 77 Ca 0.06 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2dir s VAL 77 Cb -0.18 -4.07 -0.04 0.00 0.56 0.00 0.00 36.38 32.64 2dir s VAL 77 CO 0.11 -0.80 0.17 0.68 -0.31 0.00 0.00 175.10 174.94 2dir s VAL 78 N 1.50 5.12 -0.32 1.32 -7.23 -0.72 -2.37 120.40 117.70 2dir s VAL 78 Ca 0.04 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.75 2dir s VAL 78 Cb -0.28 -3.48 0.09 0.00 0.56 0.00 0.00 36.38 33.27 2dir s VAL 78 CO 0.02 0.15 0.03 0.68 -0.31 0.00 0.00 175.10 175.67 2dir s VAL 79 N -1.46 1.95 0.04 1.32 -7.23 -0.48 -1.01 120.40 113.53 2dir s VAL 79 Ca 0.33 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 2dir s VAL 79 Cb -0.13 -2.38 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 2dir s VAL 79 CO 0.26 -0.51 0.54 -0.70 -0.31 0.00 0.00 175.10 174.37 2dir s GLU 80 N 1.09 4.16 -0.36 4.82 2.12 -0.32 -1.58 118.70 128.64 2dir s GLU 80 Ca 0.07 0.66 -0.12 0.00 0.36 0.00 0.00 54.97 55.95 2dir s GLU 80 Cb -0.19 -3.25 0.01 0.00 0.26 0.00 0.00 34.13 30.96 2dir s GLU 80 CO -0.11 0.60 0.22 0.42 -0.54 0.00 0.00 175.26 175.85 2dir s ILE 81 N -0.94 4.84 -0.26 -3.70 -1.09 -1.13 -1.17 121.20 117.76 2dir s ILE 81 Ca 0.28 -0.58 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 2dir s ILE 81 Cb -0.19 -3.60 0.08 0.00 -1.58 0.00 0.00 42.46 37.17 2dir s ILE 81 CO 0.17 -0.13 0.03 -0.63 -1.23 0.00 0.00 174.94 173.16 2dir s ILE 82 N 1.62 1.05 -1.32 2.92 1.01 -1.05 -3.84 121.20 121.60 2dir s ILE 82 Ca 0.04 -1.16 -0.06 0.00 0.00 0.00 0.00 60.65 59.47 2dir s ILE 82 Cb -0.18 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.71 2dir s ILE 82 CO 0.08 -0.37 0.85 0.29 0.00 0.00 0.00 174.94 175.79 2dir n LYS 83 N 4.82 -6.05 -3.01 2.79 5.02 -1.26 -2.42 118.16 118.06 2dir n LYS 83 Ca -0.07 0.79 -0.11 0.00 -2.02 0.00 0.00 58.31 56.90 2dir n LYS 83 Cb 0.44 -5.55 0.04 0.00 -0.02 0.00 0.00 35.03 29.93 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dir n ALA 84 N -4.18 -0.61 -3.55 7.82 0.00 -1.26 -5.04 120.51 113.69 2dir n ALA 84 Ca -0.04 0.19 -0.25 0.00 0.00 0.00 0.00 53.44 53.34 2dir n ALA 84 Cb 0.58 -2.85 -0.17 0.00 0.00 0.00 0.00 19.45 17.01 2dir n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2dir s VAL 85 N -3.14 1.16 -0.64 0.00 0.11 -1.01 -5.09 120.40 111.77 2dir s VAL 85 Ca 0.27 -0.47 -0.26 0.00 -2.93 0.00 0.00 61.98 58.60 2dir s VAL 85 Cb -0.12 -1.07 0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2dir s VAL 85 CO 0.34 0.37 1.11 0.00 -3.33 0.00 0.00 175.10 173.58 2dir s LEU 88 N 1.90 4.12 -0.20 0.00 1.02 -1.26 -1.17 118.68 123.09 2dir s LEU 88 Ca 0.07 0.53 -0.01 0.00 0.02 0.00 0.00 54.13 54.74 2dir s LEU 88 Cb -0.23 -2.85 0.01 0.00 0.02 0.00 0.00 46.19 43.14 2dir s LEU 88 CO 0.08 -0.46 -0.13 -0.55 0.02 0.00 0.00 176.35 175.32 2dir s SER 89 N 1.59 3.67 -0.27 2.29 0.15 -0.18 -4.97 113.70 115.98 2dir s SER 89 Ca 0.26 -0.53 -0.09 0.00 0.70 0.00 0.00 55.95 56.29 2dir s SER 89 Cb -0.15 -1.60 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 2dir s SER 89 CO 0.11 -0.01 0.14 -0.69 1.20 0.00 0.00 173.24 173.99 2dir s VAL 90 N 1.37 4.83 -0.13 4.45 1.01 -1.26 -1.75 120.40 128.92 2dir s VAL 90 Ca 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2dir s VAL 90 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 2dir s VAL 90 CO -0.08 0.27 -0.17 -0.69 0.00 0.00 0.00 175.10 174.42 2dir s VAL 91 N 1.69 2.62 -0.46 2.92 1.01 -0.60 -4.94 120.40 122.64 2dir s VAL 91 Ca 0.07 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 2dir s VAL 91 Cb -0.16 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 34.21 2dir s VAL 91 CO 0.07 0.53 0.37 -0.75 0.00 0.00 0.00 175.10 175.32 2dir s LYS 92 N 0.48 2.95 -0.01 2.72 2.20 -1.26 -1.13 119.74 125.70 2dir s LYS 92 Ca -0.12 -1.29 -0.00 0.00 -0.36 0.00 0.00 55.97 54.20 2dir s LYS 92 Cb -0.16 -4.08 -0.01 0.00 -1.51 0.00 0.00 37.83 32.07 2dir s LYS 92 CO 0.05 -0.97 -0.01 0.45 -0.36 0.00 0.00 175.35 174.51 2dir n SER 93 N 5.18 2.43 -3.28 1.43 2.88 -1.21 -5.00 113.62 116.04 2dir n SER 93 Ca -0.12 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.12 2dir n SER 93 Cb 0.44 -0.02 -0.11 0.00 -0.75 0.00 0.00 64.21 63.77 2dir n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dir n GLY 94 N 3.26 -0.35 3.56 0.46 0.00 -1.20 -4.72 105.19 106.19 2dir n GLY 94 Ca -0.02 0.85 -0.28 0.00 0.00 0.00 0.00 46.02 46.57 2dir n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dir s PRO 95 N 6.53 2.56 0.51 1.61 0.04 -1.26 -4.94 135.00 140.05 2dir s PRO 95 Ca 0.99 -0.20 -0.23 0.00 0.04 0.00 0.00 61.00 61.60 2dir s PRO 95 Cb -0.92 -4.99 -0.06 0.00 0.04 0.00 0.00 34.50 28.56 2dir s PRO 95 CO 0.36 -3.31 1.34 0.45 0.04 0.00 0.00 177.00 175.87 2dir s SER 96 N 8.05 5.59 -0.94 6.66 0.15 -1.26 -4.95 113.70 126.99 2dir s SER 96 Ca 0.70 2.71 -0.12 0.00 0.70 0.00 0.00 55.95 59.94 2dir s SER 96 Cb -0.07 -2.63 0.24 0.00 -1.71 0.00 0.00 66.02 61.84 2dir s SER 96 CO 0.01 -1.35 0.91 -0.55 1.20 0.00 0.00 173.24 173.47 2dir s SER 97 N -0.92 6.97 0.00 5.45 0.15 -1.26 -5.28 113.70 118.80 2dir s SER 97 Ca 0.67 -3.00 0.00 0.00 0.70 0.00 0.00 55.95 54.32 2dir s SER 97 Cb -0.39 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2dir s SER 97 CO 0.47 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 175.03