#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dir s SER 2 N 0.00 6.17 0.15 1.61 0.01 -1.26 -5.04 113.70 115.34 2dir s SER 2 Ca 0.00 -1.53 -0.32 0.00 1.31 0.00 0.00 55.95 55.40 2dir s SER 2 Cb 0.00 -2.20 -0.17 0.00 0.21 0.00 0.00 66.02 63.86 2dir s SER 2 CO 0.00 -0.74 0.90 -1.20 0.41 0.00 0.00 173.24 172.61 2dir n SER 3 N 5.23 0.10 0.00 2.44 7.64 -1.26 -4.86 113.62 122.91 2dir n SER 3 Ca -0.13 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2dir n SER 3 Cb 0.42 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2dir n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dir n GLY 4 N 1.81 -0.77 3.41 0.23 0.00 -1.26 -5.18 105.19 103.44 2dir n GLY 4 Ca 0.17 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2dir n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dir s SER 5 N -4.00 -0.48 0.30 1.61 1.04 -1.26 -5.17 113.70 105.74 2dir s SER 5 Ca 0.00 0.31 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 2dir s SER 5 Cb 0.00 0.49 -0.06 0.00 0.10 0.00 0.00 66.02 66.55 2dir s SER 5 CO 0.00 -0.67 0.62 -0.55 0.98 0.00 0.00 173.24 173.61 2dir s SER 6 N -1.73 6.54 0.00 7.02 0.15 -1.26 -4.93 113.70 119.50 2dir s SER 6 Ca -0.07 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dir s SER 6 Cb -0.01 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2dir s SER 6 CO 0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2dir n GLY 7 N -0.74 0.86 3.28 9.45 0.00 -1.26 -5.14 105.19 111.64 2dir n GLY 7 Ca 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 2dir n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dir s LYS 8 N -0.87 0.43 0.43 1.61 2.47 -1.26 -5.02 119.74 117.53 2dir s LYS 8 Ca 0.00 1.04 0.29 0.00 -1.56 0.00 0.00 55.97 55.74 2dir s LYS 8 Cb 0.00 0.35 1.45 0.00 -1.46 0.00 0.00 37.83 38.16 2dir s LYS 8 CO 0.00 -0.37 1.59 0.00 0.16 0.00 0.00 175.35 176.73 2dir h ALA 9 N 8.11 2.68 -0.43 3.13 0.00 -2.00 1.19 119.26 131.93 2dir h ALA 9 Ca -0.18 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2dir h ALA 9 Cb 1.12 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2dir h ALA 9 CO 0.17 -1.37 0.05 0.35 0.00 0.00 0.00 179.25 178.44 2dir h PHE 10 N 0.03 0.78 0.11 0.00 3.04 -2.00 -2.85 116.94 116.05 2dir h PHE 10 Ca 0.86 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 62.69 2dir h PHE 10 Cb 2.65 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 40.95 2dir h PHE 10 CO -0.01 0.76 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.92 2dir h LEU 11 N 0.58 -0.12 -1.40 0.59 3.38 0.84 -3.21 115.31 115.97 2dir h LEU 11 Ca 0.13 0.00 0.45 0.00 0.09 0.00 0.00 57.88 58.56 2dir h LEU 11 Cb 0.41 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.09 2dir h LEU 11 CO 0.01 0.31 0.94 -1.84 0.09 0.00 0.00 178.44 177.96 2dir n GLU 12 N -4.62 -0.02 0.29 1.13 0.28 0.84 0.17 120.64 118.72 2dir n GLU 12 Ca -0.02 1.07 -0.12 0.00 -0.16 0.00 0.00 57.16 57.93 2dir n GLU 12 Cb 0.06 -2.20 -0.06 0.00 1.43 0.00 0.00 31.44 30.66 2dir n GLU 12 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2dir h ASP 13 N 0.00 -0.67 -0.45 -1.84 3.32 -1.58 -3.09 116.42 112.11 2dir h ASP 13 Ca 0.80 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.96 2dir h ASP 13 Cb 2.79 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 42.43 2dir h ASP 13 CO -0.28 -0.27 -0.08 -0.03 -1.72 0.00 0.00 179.24 176.86 2dir h MET 14 N -1.21 0.02 -0.75 3.56 4.05 -0.27 -1.80 114.93 118.52 2dir h MET 14 Ca -0.08 -0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.47 2dir h MET 14 Cb 0.61 -0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.26 2dir h MET 14 CO 0.13 0.02 -0.31 0.87 0.23 0.00 0.00 176.91 177.84 2dir h LYS 15 N 0.03 -0.08 0.89 0.39 1.57 -1.26 0.86 116.57 118.96 2dir h LYS 15 Ca 0.22 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2dir h LYS 15 Cb 0.33 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.67 2dir h LYS 15 CO -0.44 -0.05 -0.43 -0.22 -0.57 0.00 0.00 179.45 177.74 2dir h LYS 16 N -0.08 -1.16 0.07 3.15 3.64 -1.27 -2.48 116.57 118.45 2dir h LYS 16 Ca 0.30 0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2dir h LYS 16 Cb 0.57 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2dir h LYS 16 CO -0.80 -0.77 -0.08 -0.92 -2.27 0.00 0.00 179.45 174.61 2dir h TYR 17 N -1.20 -0.22 -1.31 1.91 3.20 -0.71 -1.72 116.97 116.93 2dir h TYR 17 Ca -0.12 0.00 0.42 0.00 3.14 0.00 0.00 58.73 62.17 2dir h TYR 17 Cb 0.92 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 39.19 2dir h TYR 17 CO 0.02 -0.10 0.90 0.00 -1.64 0.00 0.00 178.16 177.34 2dir n ALA 18 N -2.36 1.28 -0.10 1.82 0.00 0.29 0.74 120.51 122.18 2dir n ALA 18 Ca -0.02 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2dir n ALA 18 Cb 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2dir n ALA 18 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dir n GLU 19 N -3.95 0.00 0.04 0.00 0.00 -0.72 -0.31 120.64 115.70 2dir n GLU 19 Ca 0.34 0.45 0.02 0.00 0.00 0.00 0.00 57.16 57.97 2dir n GLU 19 Cb 1.41 -1.15 0.13 0.00 0.00 0.00 0.00 31.44 31.83 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2dir n THR 20 N -1.85 1.73 -0.07 6.31 5.66 -0.11 0.39 114.28 126.34 2dir n THR 20 Ca 0.00 0.55 -0.22 0.00 -3.05 0.00 0.00 64.05 61.34 2dir n THR 20 Cb 0.00 -1.55 -0.12 0.00 -1.55 0.00 0.00 70.33 67.10 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 -1.66 0.78 1.38 1.09 7.35 0.23 -4.24 117.46 122.40 2dir n PHE 21 Ca -0.00 0.22 0.14 0.00 -0.76 0.00 0.00 57.45 57.04 2dir n PHE 21 Cb 0.02 -1.09 0.49 0.00 0.35 0.00 0.00 39.48 39.25 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 -3.74 1.03 -0.21 -2.13 4.77 0.57 -4.34 117.00 112.95 2dir n LEU 22 Ca -0.38 -0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 55.21 2dir n LEU 22 Cb 0.93 -0.09 -0.07 0.00 -2.33 0.00 0.00 43.42 41.86 2dir n LEU 22 CO 0.29 0.18 0.52 -0.33 -1.33 0.00 0.00 177.39 176.72 2dir h GLU 23 N 1.39 -0.26 0.00 3.23 5.08 -0.24 1.61 114.58 125.39 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 0.46 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2dir h GLU 23 CO 0.00 -0.17 0.00 -0.35 -1.00 0.00 0.00 179.01 177.49 2dir n PRO 24 N -5.37 0.17 -0.01 2.33 -0.04 -1.26 0.33 135.00 131.16 2dir n PRO 24 Ca -0.01 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 2dir n PRO 24 Cb 0.33 -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 -1.32 0.00 0.00 0.54 8.01 0.24 -4.62 117.44 120.29 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 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.07 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 -2.04 0.00 -2.53 -5.99 3.72 0.49 -4.47 117.46 106.64 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 0.41 0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.58 4.60 0.85 -1.08 2.20 1.01 -3.83 119.74 121.92 2dir s LYS 27 Ca 0.00 1.70 -0.17 0.00 -0.36 0.00 0.00 55.97 57.14 2dir s LYS 27 Cb 0.00 -3.28 -0.13 0.00 -1.51 0.00 0.00 37.83 32.91 2dir s LYS 27 CO 0.00 0.09 -0.46 0.00 -0.36 0.00 0.00 175.35 174.62 2dir n ALA 28 N 2.38 -4.41 0.87 3.13 0.00 -1.26 -2.16 120.51 119.06 2dir n ALA 28 Ca 0.03 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.06 2dir n ALA 28 Cb 0.46 -1.30 0.43 0.00 0.00 0.00 0.00 19.45 19.04 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 1.74 0.38 -2.87 0.00 -0.04 -1.26 -4.82 135.00 128.13 2dir n PRO 29 Ca 0.02 0.06 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 2dir n PRO 29 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.22 6.98 -0.12 3.54 0.01 -0.92 -5.06 114.94 117.15 2dir s ASN 30 Ca 0.20 1.64 -0.33 0.00 -0.71 0.00 0.00 52.86 53.66 2dir s ASN 30 Cb 0.10 -2.52 0.13 0.00 0.41 0.00 0.00 41.25 39.38 2dir s ASN 30 CO 0.20 -0.28 1.19 -1.59 -1.51 0.00 0.00 177.10 175.11 2dir s LYS 31 N -2.95 0.41 0.00 -0.60 -2.85 -1.25 -3.72 119.74 108.77 2dir s LYS 31 Ca 0.59 -0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.38 2dir s LYS 31 Cb -0.11 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2dir s LYS 31 CO 0.15 -0.18 0.00 0.41 0.10 0.00 0.00 175.35 175.83 2dir n GLY 32 N -0.22 0.12 3.92 0.59 0.00 -1.26 -4.99 105.19 103.34 2dir n GLY 32 Ca -0.03 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.35 2.72 0.11 2.61 -4.23 -1.26 -1.48 115.64 110.76 2dir s THR 33 Ca 0.00 -1.24 -0.26 0.00 -1.18 0.00 0.00 61.69 59.01 2dir s THR 33 Cb 0.00 -2.96 0.07 0.00 1.34 0.00 0.00 72.50 70.96 2dir s THR 33 CO 0.00 0.00 0.96 0.72 -0.54 0.00 0.00 174.62 175.76 2dir s PHE 34 N -2.45 -0.17 -0.15 3.99 -0.71 -1.23 -2.43 117.98 114.83 2dir s PHE 34 Ca 0.50 -0.09 -0.03 0.00 -1.04 0.00 0.00 56.93 56.27 2dir s PHE 34 Cb -0.05 0.61 0.05 0.00 -1.21 0.00 0.00 43.02 42.42 2dir s PHE 34 CO 0.29 -0.74 0.03 1.14 -1.34 0.00 0.00 175.22 174.61 2dir s GLN 35 N -3.20 0.55 0.27 1.99 -2.07 -0.44 0.21 119.66 116.97 2dir s GLN 35 Ca 0.11 -0.20 -0.20 0.00 -1.82 0.00 0.00 55.36 53.25 2dir s GLN 35 Cb -0.01 -1.69 -0.09 0.00 -1.09 0.00 0.00 33.01 30.13 2dir s GLN 35 CO -0.00 -0.54 0.78 0.42 -1.32 0.00 0.00 175.29 174.63 2dir s ILE 36 N 1.94 4.52 -0.13 3.63 1.01 -1.26 -2.10 121.20 128.80 2dir s ILE 36 Ca 0.01 1.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.93 2dir s ILE 36 Cb -0.15 -3.82 0.06 0.00 0.01 0.00 0.00 42.46 38.56 2dir s ILE 36 CO -0.07 0.08 0.29 -0.69 0.00 0.00 0.00 174.94 174.54 2dir s VAL 37 N -1.68 -0.25 -0.53 2.92 1.01 -1.04 -4.98 120.40 115.86 2dir s VAL 37 Ca 0.48 0.20 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 2dir s VAL 37 Cb -0.15 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.84 2dir s VAL 37 CO 0.20 0.08 0.65 -0.47 0.00 0.00 0.00 175.10 175.56 2dir s TYR 38 N 1.88 3.03 -0.14 5.22 6.14 -1.26 -1.43 117.35 130.80 2dir s TYR 38 Ca -0.04 -0.66 -0.00 0.00 0.64 0.00 0.00 57.07 57.00 2dir s TYR 38 Cb -0.11 -3.68 -0.01 0.00 0.42 0.00 0.00 41.96 38.58 2dir s TYR 38 CO -0.09 -1.11 -0.13 0.15 0.64 0.00 0.00 175.55 175.01 2dir s LYS 39 N 2.65 3.38 0.11 4.97 1.02 -1.06 -4.99 119.74 125.81 2dir s LYS 39 Ca 0.14 -0.68 -0.01 0.00 0.02 0.00 0.00 55.97 55.44 2dir s LYS 39 Cb -0.21 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 2dir s LYS 39 CO 0.10 0.18 0.03 -1.54 -0.92 0.00 0.00 175.35 173.20 2dir s SER 40 N 0.44 0.37 -0.24 2.83 1.04 -1.26 -3.16 113.70 113.73 2dir s SER 40 Ca -0.10 -1.15 -0.07 0.00 0.48 0.00 0.00 55.95 55.11 2dir s SER 40 Cb -0.16 0.27 -0.17 0.00 0.10 0.00 0.00 66.02 66.06 2dir s SER 40 CO 0.05 -0.69 -0.12 -1.14 0.98 0.00 0.00 173.24 172.32 2dir n ARG 41 N -0.04 0.64 -1.68 4.02 0.00 -1.26 -4.99 116.66 113.35 2dir n ARG 41 Ca -0.08 0.25 -0.30 0.00 -0.00 0.00 0.00 57.85 57.73 2dir n ARG 41 Cb 0.63 -1.57 0.20 0.00 0.00 0.00 0.00 32.46 31.71 2dir n ARG 41 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2dir s ASN 42 N -6.95 2.56 -0.10 6.15 2.47 -1.26 -5.06 114.94 112.76 2dir s ASN 42 Ca -0.33 0.41 -0.11 0.00 0.42 0.00 0.00 52.86 53.24 2dir s ASN 42 Cb 0.10 -0.54 -0.04 0.00 -1.45 0.00 0.00 41.25 39.33 2dir s ASN 42 CO 0.59 -3.09 -0.22 0.59 -3.72 0.00 0.00 177.10 171.25 2dir n ASN 43 N -4.03 1.44 -4.51 -4.21 3.02 -1.26 -4.90 115.26 100.82 2dir n ASN 43 Ca 0.14 0.24 -0.43 0.00 -0.03 0.00 0.00 54.58 54.50 2dir n ASN 43 Cb 0.59 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 2dir n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dir s SER 44 N -5.63 6.28 0.38 6.41 1.04 -1.26 -4.97 113.70 115.96 2dir s SER 44 Ca -0.18 -0.52 -0.09 0.00 0.48 0.00 0.00 55.95 55.63 2dir s SER 44 Cb 0.03 -2.44 0.04 0.00 0.10 0.00 0.00 66.02 63.74 2dir s SER 44 CO 0.27 -1.33 0.67 -2.28 0.98 0.00 0.00 173.24 171.56 2dir s HIS 45 N 4.11 0.56 0.45 5.02 5.04 -1.26 -5.14 115.29 124.07 2dir s HIS 45 Ca 0.29 -1.06 -0.15 0.00 -1.54 0.00 0.00 55.06 52.59 2dir s HIS 45 Cb -0.13 0.47 -0.13 0.00 0.04 0.00 0.00 32.58 32.83 2dir s HIS 45 CO 0.17 -1.44 -0.15 1.55 -2.34 0.00 0.00 174.74 172.53 2dir n VAL 46 N -0.56 0.00 -0.95 0.89 3.14 -1.26 -4.80 118.33 114.79 2dir n VAL 46 Ca -0.05 -0.42 -0.36 0.00 -2.96 0.00 0.00 64.34 60.55 2dir n VAL 46 Cb 0.60 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.44 2dir n VAL 46 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 2dir n ASN 47 N 2.17 -4.41 -0.03 6.55 6.94 -1.26 -4.98 115.26 120.24 2dir n ASN 47 Ca 0.06 0.12 -0.04 0.00 -0.02 0.00 0.00 54.58 54.70 2dir n ASN 47 Cb 0.40 -0.75 -0.01 0.00 -2.36 0.00 0.00 39.78 37.06 2dir n ASN 47 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2dir n ARG 48 N 1.68 0.23 0.33 -3.83 0.63 -1.26 -4.57 116.66 109.87 2dir n ARG 48 Ca -0.01 0.09 -0.18 0.00 -0.92 0.00 0.00 57.85 56.83 2dir n ARG 48 Cb 0.62 -0.85 -0.09 0.00 0.45 0.00 0.00 32.46 32.59 2dir n ARG 48 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2dir h GLU 49 N -0.43 -0.97 -0.77 -0.14 5.08 -1.99 -2.30 114.58 113.06 2dir h GLU 49 Ca 0.00 0.07 0.31 0.00 -1.00 0.00 0.00 59.36 58.73 2dir h GLU 49 Cb 0.43 0.22 -0.14 0.00 0.50 0.00 0.00 28.75 29.77 2dir h GLU 49 CO 0.00 -0.65 0.35 0.39 -1.00 0.00 0.00 179.01 178.11 2dir n GLU 50 N -5.56 -0.05 0.13 2.33 1.02 -1.26 0.85 120.64 118.10 2dir n GLU 50 Ca -0.13 1.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.96 2dir n GLU 50 Cb 0.45 -1.90 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 2dir n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dir h VAL 51 N 0.00 0.75 0.54 2.62 2.07 -1.67 -2.37 116.25 118.19 2dir h VAL 51 Ca 0.63 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2dir h VAL 51 Cb 1.61 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2dir h VAL 51 CO -0.61 0.14 -0.26 0.40 0.02 0.00 0.00 177.57 177.26 2dir h ILE 52 N -0.76 0.00 -0.84 4.57 2.04 0.77 -0.56 117.51 122.73 2dir h ILE 52 Ca -0.04 -0.14 0.11 0.00 1.00 0.00 0.00 64.86 65.80 2dir h ILE 52 Cb 0.50 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.45 2dir h ILE 52 CO 0.06 0.00 -0.47 0.03 0.00 0.00 0.00 178.15 177.77 2dir h ARG 53 N -0.86 -0.09 0.67 2.37 -0.00 -0.40 -1.45 114.38 114.62 2dir h ARG 53 Ca -0.07 0.01 -0.03 0.00 -0.50 0.00 0.00 59.98 59.39 2dir h ARG 53 Cb 0.56 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.53 2dir h ARG 53 CO 0.12 -0.06 -0.50 1.49 0.00 0.00 0.00 179.97 181.02 2dir h GLU 54 N -0.09 -1.08 -0.85 0.04 4.57 -1.47 -1.01 114.58 114.68 2dir h GLU 54 Ca 0.22 0.07 0.33 0.00 -1.18 0.00 0.00 59.36 58.81 2dir h GLU 54 Cb 0.53 0.25 -0.15 0.00 -0.16 0.00 0.00 28.75 29.21 2dir h GLU 54 CO -0.86 -0.72 0.36 1.28 -1.18 0.00 0.00 179.01 177.89 2dir n LEU 55 N -5.57 0.21 -0.03 1.64 4.77 -0.22 0.77 117.00 118.57 2dir n LEU 55 Ca -0.14 1.42 -0.13 0.00 -0.03 0.00 0.00 56.01 57.13 2dir n LEU 55 Cb 0.49 -0.66 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 2dir n LEU 55 CO 0.31 -1.56 0.53 0.00 -1.33 0.00 0.00 177.39 175.34 2dir h ALA 56 N 1.71 0.01 -0.88 -1.18 0.00 -0.77 -3.03 119.26 115.12 2dir h ALA 56 Ca 0.68 -0.35 0.25 0.00 0.00 0.00 0.00 54.91 55.50 2dir h ALA 56 Cb 1.73 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2dir h ALA 56 CO -0.69 -0.14 0.69 0.78 0.00 0.00 0.00 179.25 179.90 2dir h GLY 57 N -0.66 0.00 0.44 0.00 0.00 0.17 -0.40 103.07 102.62 2dir h GLY 57 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 2dir h GLY 57 CO 0.00 0.00 -0.35 -2.22 0.00 0.00 0.00 176.54 173.98 2dir h ILE 58 N 0.00 1.58 -0.71 2.60 2.04 -1.22 -3.27 117.51 118.53 2dir h ILE 58 Ca 0.42 -2.16 0.12 0.00 1.00 0.00 0.00 64.86 64.24 2dir h ILE 58 Cb 1.80 2.97 -0.13 0.00 -0.74 0.00 0.00 36.82 40.72 2dir h ILE 58 CO -0.00 0.59 -0.37 0.58 0.00 0.00 0.00 178.15 178.95 2dir h VAL 59 N -0.54 0.11 -1.00 1.67 2.07 -0.94 0.36 116.25 117.97 2dir h VAL 59 Ca -0.05 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.59 2dir h VAL 59 Cb 1.16 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 30.95 2dir h VAL 59 CO 0.07 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.28 2dir h THR 61 N 0.99 0.71 0.06 0.00 2.02 -0.34 -2.96 112.91 113.39 2dir h THR 61 Ca 0.50 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.56 2dir h THR 61 Cb 0.49 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2dir h THR 61 CO -0.27 0.06 -0.03 -0.07 0.37 0.00 0.00 175.52 175.58 2dir h LEU 62 N 0.32 -0.07 -7.85 2.58 3.38 -0.74 -3.45 115.31 109.48 2dir h LEU 62 Ca 0.41 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.80 2dir h LEU 62 Cb 1.10 0.02 -0.36 0.00 0.09 0.00 0.00 40.66 41.51 2dir h LEU 62 CO -0.12 -0.02 -0.83 0.21 0.09 0.00 0.00 178.44 177.78 2dir s ASN 63 N -2.81 2.55 0.63 -0.43 3.84 -1.12 -4.70 114.94 112.89 2dir s ASN 63 Ca -0.01 -0.44 0.32 0.00 0.21 0.00 0.00 52.86 52.94 2dir s ASN 63 Cb 0.00 -1.09 1.78 0.00 -0.55 0.00 0.00 41.25 41.40 2dir s ASN 63 CO 0.04 -0.07 2.09 0.28 -2.79 0.00 0.00 177.10 176.64 2dir h SER 64 N 8.06 0.00 0.83 -4.21 0.02 -1.87 0.26 113.55 116.64 2dir h SER 64 Ca -0.36 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.54 2dir h SER 64 Cb 1.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2dir h SER 64 CO 0.50 0.00 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.60 2dir h GLU 65 N 0.00 0.00 -6.59 3.45 4.39 -1.94 -3.44 114.58 110.45 2dir h GLU 65 Ca 0.06 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.23 2dir h GLU 65 Cb 0.50 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.19 2dir h GLU 65 CO -0.00 0.26 0.84 -0.80 -1.16 0.00 0.00 179.01 178.15 2dir s ASN 66 N -6.27 6.65 -0.19 1.42 0.01 0.91 -4.40 114.94 113.06 2dir s ASN 66 Ca -0.00 2.54 -0.04 0.00 -0.71 0.00 0.00 52.86 54.65 2dir s ASN 66 Cb 0.11 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.26 2dir s ASN 66 CO 0.65 -0.78 0.17 -0.54 -1.51 0.00 0.00 177.10 175.09 2dir s LYS 67 N 1.14 0.14 -0.10 -0.60 -0.14 -0.55 -4.69 119.74 114.95 2dir s LYS 67 Ca 0.69 0.10 -0.29 0.00 -1.36 0.00 0.00 55.97 55.10 2dir s LYS 67 Cb -0.42 -1.43 -0.06 0.00 -1.68 0.00 0.00 37.83 34.24 2dir s LYS 67 CO 0.31 -0.66 1.85 0.54 -0.76 0.00 0.00 175.35 176.63 2dir s VAL 68 N 2.26 3.32 0.08 3.17 0.11 -1.26 -3.54 120.40 124.53 2dir s VAL 68 Ca 0.05 0.37 0.09 0.00 -2.93 0.00 0.00 61.98 59.56 2dir s VAL 68 Cb -0.16 -3.29 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 2dir s VAL 68 CO -0.11 -0.09 -0.25 -0.62 -3.33 0.00 0.00 175.10 170.70 2dir s ASP 69 N 4.85 3.04 0.00 3.54 2.15 0.13 -4.83 116.67 125.55 2dir s ASP 69 Ca 0.83 -0.65 0.08 0.00 0.43 0.00 0.00 52.55 53.24 2dir s ASP 69 Cb -0.34 -0.23 0.14 0.00 -0.30 0.00 0.00 42.92 42.18 2dir s ASP 69 CO 0.34 0.19 0.96 0.18 -0.17 0.00 0.00 175.17 176.67 2dir n LEU 70 N 1.41 2.13 -0.09 -1.34 4.77 -1.26 -3.72 117.00 118.91 2dir n LEU 70 Ca -0.18 -1.48 -0.18 0.00 -0.03 0.00 0.00 56.01 54.14 2dir n LEU 70 Cb 0.53 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2dir n LEU 70 CO 0.23 0.49 -1.03 0.41 -1.33 0.00 0.00 177.39 176.16 2dir n THR 71 N 0.33 1.08 -2.77 -5.08 -1.04 -1.26 -4.81 114.28 100.73 2dir n THR 71 Ca 0.06 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.05 61.68 2dir n THR 71 Cb 0.28 -1.81 -0.01 0.00 -1.82 0.00 0.00 70.33 66.98 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 -3.88 3.11 -4.77 8.00 3.02 -1.26 -5.10 115.26 114.38 2dir n ASN 72 Ca -0.32 -3.33 -0.38 0.00 -0.03 0.00 0.00 54.58 50.52 2dir n ASN 72 Cb 0.69 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dir s PRO 73 N -3.21 3.96 -0.23 3.52 0.04 -1.26 -4.88 135.00 132.94 2dir s PRO 73 Ca 0.42 1.85 0.09 0.00 0.04 0.00 0.00 61.00 63.40 2dir s PRO 73 Cb 0.38 -2.61 -0.20 0.00 0.04 0.00 0.00 34.50 32.10 2dir s PRO 73 CO -0.10 -0.40 -0.10 1.04 0.04 0.00 0.00 177.00 177.47 2dir n GLN 74 N -0.08 0.67 -4.43 4.56 6.02 -1.18 -4.83 117.38 118.12 2dir n GLN 74 Ca 0.05 0.08 -0.29 0.00 -0.01 0.00 0.00 57.00 56.83 2dir n GLN 74 Cb 0.47 -1.52 -0.17 0.00 1.02 0.00 0.00 30.24 30.04 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2dir s TYR 75 N -2.51 2.08 -0.41 1.08 2.02 -1.02 -2.07 117.35 116.53 2dir s TYR 75 Ca -0.25 -1.02 -0.16 0.00 -0.37 0.00 0.00 57.07 55.28 2dir s TYR 75 Cb 0.08 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 2dir s TYR 75 CO 0.69 -0.52 0.38 0.99 -1.57 0.00 0.00 175.55 175.52 2dir s THR 76 N 1.03 5.16 -0.50 -0.71 2.01 -0.48 -1.32 115.64 120.83 2dir s THR 76 Ca -0.05 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 61.43 2dir s THR 76 Cb -0.15 -3.97 0.12 0.00 0.01 0.00 0.00 72.50 68.51 2dir s THR 76 CO -0.03 -0.34 0.41 0.68 -0.69 0.00 0.00 174.62 174.66 2dir s VAL 77 N 1.97 4.69 0.03 3.82 -7.23 -0.89 -2.15 120.40 120.64 2dir s VAL 77 Ca 0.10 -1.61 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 2dir s VAL 77 Cb -0.18 -4.03 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 2dir s VAL 77 CO 0.12 -0.79 0.17 0.68 -0.31 0.00 0.00 175.10 174.97 2dir s VAL 78 N 1.48 5.26 -0.34 1.32 -7.23 -0.70 -2.49 120.40 117.71 2dir s VAL 78 Ca 0.04 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.90 2dir s VAL 78 Cb -0.28 -3.50 0.09 0.00 0.56 0.00 0.00 36.38 33.25 2dir s VAL 78 CO 0.01 0.23 0.05 0.68 -0.31 0.00 0.00 175.10 175.76 2dir s VAL 79 N -1.39 2.42 0.07 1.32 -7.23 -0.51 -0.42 120.40 114.66 2dir s VAL 79 Ca 0.30 -2.17 -0.11 0.00 -1.81 0.00 0.00 61.98 58.19 2dir s VAL 79 Cb -0.13 -2.71 -0.06 0.00 0.56 0.00 0.00 36.38 34.05 2dir s VAL 79 CO 0.22 -0.51 0.40 -0.70 -0.31 0.00 0.00 175.10 174.21 2dir s GLU 80 N 0.97 3.79 -0.57 4.82 2.12 0.69 -2.55 118.70 127.97 2dir s GLU 80 Ca 0.07 0.22 -0.17 0.00 0.36 0.00 0.00 54.97 55.45 2dir s GLU 80 Cb -0.20 -3.03 0.12 0.00 0.26 0.00 0.00 34.13 31.28 2dir s GLU 80 CO -0.07 0.58 0.59 0.42 -0.54 0.00 0.00 175.26 176.25 2dir s ILE 81 N -1.35 5.04 -0.10 -3.70 -1.09 -1.19 -0.02 121.20 118.79 2dir s ILE 81 Ca 0.32 -1.29 0.03 0.00 -2.23 0.00 0.00 60.65 57.48 2dir s ILE 81 Cb -0.14 -4.41 0.01 0.00 -1.58 0.00 0.00 42.46 36.33 2dir s ILE 81 CO 0.17 -0.99 -0.20 -0.63 -1.23 0.00 0.00 174.94 172.07 2dir s ILE 82 N 2.07 1.77 -1.36 2.92 1.09 -1.07 -4.65 121.20 121.96 2dir s ILE 82 Ca 0.07 -0.83 -0.05 0.00 -1.10 0.00 0.00 60.65 58.73 2dir s ILE 82 Cb -0.27 -1.56 0.03 0.00 -1.06 0.00 0.00 42.46 39.60 2dir s ILE 82 CO 0.04 0.49 0.40 0.29 -0.10 0.00 0.00 174.94 176.06 2dir n LYS 83 N 3.81 -3.55 -3.48 2.79 4.76 -1.26 -0.97 118.16 120.26 2dir n LYS 83 Ca -0.20 0.68 -0.21 0.00 -2.87 0.00 0.00 58.31 55.71 2dir n LYS 83 Cb 0.52 -5.42 0.07 0.00 -1.84 0.00 0.00 35.03 28.37 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dir n ALA 84 N -3.17 -1.21 -3.67 7.82 0.00 -1.26 -5.01 120.51 114.01 2dir n ALA 84 Ca -0.09 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.56 2dir n ALA 84 Cb 0.59 -4.93 -0.15 0.00 0.00 0.00 0.00 19.45 14.96 2dir n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dir s VAL 85 N -3.29 -0.05 0.14 0.00 1.01 -0.14 -5.12 120.40 112.95 2dir s VAL 85 Ca 0.51 0.17 -0.32 0.00 0.00 0.00 0.00 61.98 62.34 2dir s VAL 85 Cb -0.22 -0.19 -0.12 0.00 0.00 0.00 0.00 36.38 35.85 2dir s VAL 85 CO 0.66 0.07 1.78 0.00 0.00 0.00 0.00 175.10 177.61 2dir s LEU 88 N 1.05 4.08 -0.19 0.00 1.02 -1.26 -0.22 118.68 123.16 2dir s LEU 88 Ca 0.08 0.85 -0.01 0.00 0.02 0.00 0.00 54.13 55.07 2dir s LEU 88 Cb -0.21 -3.05 0.00 0.00 0.02 0.00 0.00 46.19 42.95 2dir s LEU 88 CO -0.06 -0.48 -0.13 -0.55 0.02 0.00 0.00 176.35 175.15 2dir s SER 89 N 1.44 3.72 -0.17 2.29 0.15 0.44 -4.95 113.70 116.61 2dir s SER 89 Ca 0.31 -0.50 -0.08 0.00 0.70 0.00 0.00 55.95 56.39 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 0.09 0.02 0.09 -0.69 1.20 0.00 0.00 173.24 173.95 2dir s VAL 90 N 1.19 5.05 -0.06 4.45 1.01 -1.26 -1.72 120.40 129.06 2dir s VAL 90 Ca 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 2dir s VAL 90 Cb -0.14 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 33.00 2dir s VAL 90 CO -0.05 0.48 0.00 -0.69 0.00 0.00 0.00 175.10 174.84 2dir s VAL 91 N 0.13 0.32 -0.30 2.92 1.01 -0.91 -4.96 120.40 118.59 2dir s VAL 91 Ca 0.07 0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 2dir s VAL 91 Cb -0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 2dir s VAL 91 CO -0.00 0.24 0.71 -0.75 0.00 0.00 0.00 175.10 175.30 2dir s LYS 92 N 1.82 3.94 -0.14 2.72 2.20 -1.26 -1.38 119.74 127.65 2dir s LYS 92 Ca 0.02 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.09 2dir s LYS 92 Cb -0.12 -3.72 0.02 0.00 -1.51 0.00 0.00 37.83 32.49 2dir s LYS 92 CO -0.04 -0.62 -0.11 0.45 -0.36 0.00 0.00 175.35 174.66 2dir s SER 93 N 1.62 2.50 0.15 1.43 0.15 -0.88 -5.05 113.70 113.62 2dir s SER 93 Ca 0.29 -0.42 -0.09 0.00 0.70 0.00 0.00 55.95 56.43 2dir s SER 93 Cb -0.15 -1.04 -0.06 0.00 -1.71 0.00 0.00 66.02 63.06 2dir s SER 93 CO 0.12 -0.09 0.46 -0.83 1.20 0.00 0.00 173.24 174.10 2dir s GLY 94 N 1.58 2.30 1.12 9.45 0.00 -1.26 -4.57 107.32 115.94 2dir s GLY 94 Ca 0.05 -0.38 -0.16 0.00 0.00 0.00 0.00 44.72 44.23 2dir s GLY 94 CO -0.10 -0.22 1.10 2.56 0.00 0.00 0.00 173.10 176.45 2dir s PRO 95 N -2.44 -0.54 -0.76 2.90 0.04 -1.26 -4.99 135.00 127.94 2dir s PRO 95 Ca 0.41 0.18 -0.10 0.00 0.04 0.00 0.00 61.00 61.53 2dir s PRO 95 Cb -0.13 -1.65 0.20 0.00 0.04 0.00 0.00 34.50 32.96 2dir s PRO 95 CO 0.21 -3.31 0.66 -1.54 0.04 0.00 0.00 177.00 173.06 2dir s SER 96 N -3.69 6.23 -0.40 6.66 1.04 -1.26 -4.98 113.70 117.30 2dir s SER 96 Ca 0.68 -2.77 0.02 0.00 0.48 0.00 0.00 55.95 54.36 2dir s SER 96 Cb -0.14 -2.09 0.12 0.00 0.10 0.00 0.00 66.02 64.02 2dir s SER 96 CO 0.57 -0.50 0.17 -0.94 0.98 0.00 0.00 173.24 173.52 2dir s SER 97 N 1.61 3.99 0.00 7.02 1.04 -1.26 -5.35 113.70 120.75 2dir s SER 97 Ca 0.18 -2.31 0.00 0.00 0.48 0.00 0.00 55.95 54.30 2dir s SER 97 Cb -0.14 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 64.86 2dir s SER 97 CO -0.07 -0.32 0.12 0.61 0.98 0.00 0.00 173.24 174.56