#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 4.42 0.57 1.61 0.15 -1.26 -5.14 113.70 114.04 2dir s SER 2 Ca 0.00 -0.63 0.07 0.00 0.70 0.00 0.00 55.95 56.08 2dir s SER 2 Cb 0.00 -0.79 0.07 0.00 -1.71 0.00 0.00 66.02 63.60 2dir s SER 2 CO 0.00 0.04 0.78 -0.44 1.20 0.00 0.00 173.24 174.82 2dir s SER 3 N -3.38 5.09 0.70 5.45 0.01 -1.26 -5.13 113.70 115.18 2dir s SER 3 Ca 0.29 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.97 2dir s SER 3 Cb -0.07 -0.07 0.12 0.00 0.21 0.00 0.00 66.02 66.22 2dir s SER 3 CO 0.18 -1.30 0.96 -0.83 0.41 0.00 0.00 173.24 172.67 2dir s GLY 4 N -4.59 1.75 0.80 3.44 0.00 -1.26 -5.08 107.32 102.38 2dir s GLY 4 Ca 0.61 -1.85 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 2dir s GLY 4 CO 0.39 -1.29 1.12 -0.45 0.00 0.00 0.00 173.10 172.87 2dir s SER 5 N -4.74 4.05 0.09 1.64 0.15 -1.26 -5.06 113.70 108.57 2dir s SER 5 Ca 0.66 2.01 -0.11 0.00 0.70 0.00 0.00 55.95 59.21 2dir s SER 5 Cb -0.05 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 2dir s SER 5 CO 0.43 -2.34 0.24 -0.44 1.20 0.00 0.00 173.24 172.34 2dir s SER 6 N -2.96 0.01 0.00 5.45 0.01 -1.26 -5.15 113.70 109.81 2dir s SER 6 Ca 0.65 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2dir s SER 6 Cb -0.20 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2dir s SER 6 CO 0.54 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2dir n GLY 7 N 0.04 2.40 3.23 3.44 0.00 -1.26 -5.16 105.19 107.88 2dir n GLY 7 Ca -0.16 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.56 0.44 0.41 1.61 2.47 -1.26 -5.01 119.74 117.84 2dir s LYS 8 Ca 0.00 0.85 0.32 0.00 -1.56 0.00 0.00 55.97 55.58 2dir s LYS 8 Cb 0.00 0.48 1.36 0.00 -1.46 0.00 0.00 37.83 38.21 2dir s LYS 8 CO 0.00 -0.41 1.37 0.00 0.16 0.00 0.00 175.35 176.48 2dir n ALA 9 N 5.40 1.30 0.16 3.13 0.00 -1.26 0.43 120.51 129.67 2dir n ALA 9 Ca -0.05 0.73 -0.11 0.00 0.00 0.00 0.00 53.44 54.01 2dir n ALA 9 Cb 0.52 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 2dir n ALA 9 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2dir h PHE 10 N 0.00 -0.44 0.22 0.00 3.04 -1.99 -2.69 116.94 115.08 2dir h PHE 10 Ca 0.79 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.72 2dir h PHE 10 Cb 2.68 0.14 0.00 0.00 2.56 0.00 0.00 35.95 41.33 2dir h PHE 10 CO -0.00 -0.11 -0.10 -0.07 -2.02 0.00 0.00 178.31 176.00 2dir h LEU 11 N -0.97 -0.25 -0.70 0.59 3.38 -0.43 -2.83 115.31 114.10 2dir h LEU 11 Ca -0.05 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 57.94 2dir h LEU 11 Cb 0.52 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.20 2dir h LEU 11 CO 0.08 -0.02 -0.20 1.05 0.09 0.00 0.00 178.44 179.44 2dir h GLU 12 N -0.47 -0.02 0.00 1.13 4.11 -0.39 1.14 114.58 120.08 2dir h GLU 12 Ca -0.03 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2dir h GLU 12 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2dir h GLU 12 CO 0.05 -0.01 -0.00 -0.44 0.07 0.00 0.00 179.01 178.67 2dir h ASP 13 N -0.02 0.00 0.00 3.06 3.32 -1.40 0.93 116.42 122.31 2dir h ASP 13 Ca 0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 2dir h ASP 13 Cb 0.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2dir h ASP 13 CO -0.73 0.00 -0.17 -0.03 -1.72 0.00 0.00 179.24 176.59 2dir h MET 14 N 0.00 0.00 -0.65 3.56 4.05 0.14 -3.28 114.93 118.75 2dir h MET 14 Ca -0.00 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 2dir h MET 14 Cb 0.01 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.75 2dir h MET 14 CO 0.00 0.04 0.33 1.57 0.23 0.00 0.00 176.91 179.08 2dir h LYS 15 N -1.00 0.57 -0.85 0.39 2.10 -0.46 0.19 116.57 117.50 2dir h LYS 15 Ca -0.00 -0.03 0.18 0.00 -2.00 0.00 0.00 60.65 58.80 2dir h LYS 15 Cb 0.20 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 31.34 2dir h LYS 15 CO -0.00 0.38 0.57 1.57 -2.00 0.00 0.00 179.45 179.96 2dir h LYS 16 N 0.59 0.39 0.00 0.07 2.10 -0.99 0.11 116.57 118.84 2dir h LYS 16 Ca 0.31 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.92 2dir h LYS 16 Cb 0.27 -0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2dir h LYS 16 CO -0.23 0.26 -0.11 -0.92 -2.00 0.00 0.00 179.45 176.46 2dir h TYR 17 N 0.40 0.00 -1.02 0.07 3.20 -1.20 -3.28 116.97 115.15 2dir h TYR 17 Ca 0.43 0.00 0.29 0.00 3.14 0.00 0.00 58.73 62.59 2dir h TYR 17 Cb 1.06 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 2dir h TYR 17 CO -0.00 0.31 0.72 0.00 -1.64 0.00 0.00 178.16 177.54 2dir h ALA 18 N -0.74 2.82 -0.40 1.82 0.00 -0.73 0.25 119.26 122.27 2dir h ALA 18 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dir h ALA 18 Cb 0.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dir h ALA 18 CO -0.01 -1.12 0.00 0.39 0.00 0.00 0.00 179.25 178.51 2dir n GLU 19 N -4.30 0.00 0.05 0.00 1.02 0.37 0.11 120.64 117.89 2dir n GLU 19 Ca 0.22 0.43 0.06 0.00 -0.02 0.00 0.00 57.16 57.85 2dir n GLU 19 Cb 1.03 -1.36 0.27 0.00 -0.02 0.00 0.00 31.44 31.36 2dir n GLU 19 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2dir n THR 20 N -1.80 1.38 -0.03 2.62 5.66 -1.02 0.42 114.28 121.51 2dir n THR 20 Ca 0.00 0.44 -0.13 0.00 -3.05 0.00 0.00 64.05 61.32 2dir n THR 20 Cb 0.00 -1.37 -0.14 0.00 -1.55 0.00 0.00 70.33 67.27 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 -1.75 0.87 0.98 1.09 7.35 0.83 -4.17 117.46 122.65 2dir n PHE 21 Ca 0.01 0.26 0.11 0.00 -0.76 0.00 0.00 57.45 57.07 2dir n PHE 21 Cb 0.08 -1.14 0.02 0.00 0.35 0.00 0.00 39.48 38.79 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 -3.13 2.25 -0.23 -2.13 4.77 0.30 -4.55 117.00 114.28 2dir n LEU 22 Ca -0.25 -0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 54.81 2dir n LEU 22 Cb 1.06 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.10 2dir n LEU 22 CO 0.43 0.40 0.54 -0.33 -1.33 0.00 0.00 177.39 177.10 2dir h GLU 23 N 2.95 -0.22 0.00 3.23 5.08 -0.20 1.63 114.58 127.05 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 0.80 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2dir h GLU 23 CO 0.00 -0.15 0.00 -0.35 -1.00 0.00 0.00 179.01 177.51 2dir n PRO 24 N -5.38 0.16 -0.01 2.33 -0.04 -1.26 0.34 135.00 131.15 2dir n PRO 24 Ca 0.01 0.17 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 2dir n PRO 24 Cb 0.34 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.33 0.00 0.00 0.54 8.01 0.26 -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 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.12 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 -1.95 0.00 -2.53 -5.99 3.72 0.49 -4.44 117.46 106.75 2dir n PHE 26 Ca -0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.97 2dir n PHE 26 Cb 0.37 0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.96 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 -1.52 4.58 0.88 -1.08 2.20 1.04 -3.88 119.74 121.95 2dir s LYS 27 Ca 0.00 1.68 -0.17 0.00 -0.36 0.00 0.00 55.97 57.12 2dir s LYS 27 Cb 0.00 -3.31 -0.13 0.00 -1.51 0.00 0.00 37.83 32.89 2dir s LYS 27 CO 0.00 0.03 -0.48 0.00 -0.36 0.00 0.00 175.35 174.54 2dir n ALA 28 N 2.73 -4.51 0.90 3.13 0.00 -1.26 -2.21 120.51 119.29 2dir n ALA 28 Ca 0.04 -0.52 0.08 0.00 0.00 0.00 0.00 53.44 53.03 2dir n ALA 28 Cb 0.47 -1.30 0.44 0.00 0.00 0.00 0.00 19.45 19.06 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 1.72 0.41 -2.80 0.00 -0.04 -1.26 -4.83 135.00 128.19 2dir n PRO 29 Ca 0.02 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 2dir n PRO 29 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.16 6.83 0.01 3.54 0.01 -0.94 -5.06 114.94 117.17 2dir s ASN 30 Ca 0.21 1.56 -0.29 0.00 -0.71 0.00 0.00 52.86 53.62 2dir s ASN 30 Cb 0.11 -2.49 0.11 0.00 0.41 0.00 0.00 41.25 39.38 2dir s ASN 30 CO 0.19 -0.37 1.22 -1.59 -1.51 0.00 0.00 177.10 175.04 2dir s LYS 31 N -3.34 0.56 0.00 -0.60 -2.85 -1.25 -3.78 119.74 108.47 2dir s LYS 31 Ca 0.59 -0.30 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 2dir s LYS 31 Cb -0.09 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2dir s LYS 31 CO 0.18 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.79 2dir n GLY 32 N -0.47 0.55 3.91 0.59 0.00 -1.26 -4.97 105.19 103.53 2dir n GLY 32 Ca -0.08 -1.60 -0.20 0.00 0.00 0.00 0.00 46.02 44.14 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 -3.27 2.63 0.11 2.61 -4.23 -1.26 -1.44 115.64 110.80 2dir s THR 33 Ca 0.00 -1.28 -0.26 0.00 -1.18 0.00 0.00 61.69 58.97 2dir s THR 33 Cb 0.00 -2.91 0.07 0.00 1.34 0.00 0.00 72.50 71.00 2dir s THR 33 CO 0.00 0.00 0.89 0.72 -0.54 0.00 0.00 174.62 175.69 2dir s PHE 34 N -2.48 -0.24 -0.18 3.99 -0.71 -1.24 -2.18 117.98 114.94 2dir s PHE 34 Ca 0.49 -0.01 -0.01 0.00 -1.04 0.00 0.00 56.93 56.36 2dir s PHE 34 Cb -0.04 0.60 0.05 0.00 -1.21 0.00 0.00 43.02 42.42 2dir s PHE 34 CO 0.29 -0.75 -0.02 1.14 -1.34 0.00 0.00 175.22 174.53 2dir s GLN 35 N -3.30 1.18 0.11 1.99 -2.07 -0.27 0.12 119.66 117.42 2dir s GLN 35 Ca 0.09 -0.55 -0.25 0.00 -1.82 0.00 0.00 55.36 52.83 2dir s GLN 35 Cb -0.01 -2.09 -0.07 0.00 -1.09 0.00 0.00 33.01 29.74 2dir s GLN 35 CO -0.03 -0.52 0.77 0.42 -1.32 0.00 0.00 175.29 174.61 2dir s ILE 36 N 1.67 4.54 -0.05 3.63 1.01 -1.26 -2.04 121.20 128.70 2dir s ILE 36 Ca -0.01 1.67 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 2dir s ILE 36 Cb -0.16 -4.13 0.04 0.00 0.01 0.00 0.00 42.46 38.22 2dir s ILE 36 CO -0.07 0.45 0.10 -0.69 0.00 0.00 0.00 174.94 174.72 2dir s VAL 37 N -0.64 -0.15 -0.42 2.92 1.01 -0.98 -4.99 120.40 117.15 2dir s VAL 37 Ca 0.37 0.36 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 2dir s VAL 37 Cb -0.22 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2dir s VAL 37 CO 0.25 0.15 0.48 -0.47 0.00 0.00 0.00 175.10 175.51 2dir s TYR 38 N 2.01 3.15 -0.23 5.22 6.14 -1.26 -1.29 117.35 131.09 2dir s TYR 38 Ca 0.02 -0.28 -0.03 0.00 0.64 0.00 0.00 57.07 57.42 2dir s TYR 38 Cb -0.12 -2.98 0.00 0.00 0.42 0.00 0.00 41.96 39.29 2dir s TYR 38 CO -0.04 -0.72 -0.05 0.15 0.64 0.00 0.00 175.55 175.53 2dir s LYS 39 N 2.28 3.17 0.08 4.97 1.02 -1.00 -4.98 119.74 125.28 2dir s LYS 39 Ca 0.14 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 2dir s LYS 39 Cb -0.16 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 2dir s LYS 39 CO 0.15 -0.28 0.01 0.45 -0.92 0.00 0.00 175.35 174.76 2dir s SER 40 N 1.43 0.41 1.24 2.83 0.15 -1.26 -2.94 113.70 115.56 2dir s SER 40 Ca 0.04 -1.05 -0.17 0.00 0.70 0.00 0.00 55.95 55.47 2dir s SER 40 Cb -0.15 0.24 0.28 0.00 -1.71 0.00 0.00 66.02 64.68 2dir s SER 40 CO -0.04 -0.65 0.72 0.54 1.20 0.00 0.00 173.24 175.00 2dir n ARG 41 N 0.03 -3.01 -0.36 5.44 5.12 -1.26 -4.83 116.66 117.79 2dir n ARG 41 Ca -0.11 -0.87 0.02 0.00 -1.93 0.00 0.00 57.85 54.96 2dir n ARG 41 Cb 0.62 -1.95 0.09 0.00 -1.16 0.00 0.00 32.46 30.06 2dir n ARG 41 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 2dir h ASN 42 N -2.86 -1.14 -3.24 0.55 -0.73 -2.01 -3.39 115.58 102.75 2dir h ASN 42 Ca -0.53 0.30 -0.49 0.00 1.87 0.00 0.00 56.30 57.45 2dir h ASN 42 Cb 1.30 0.67 0.02 0.00 0.27 0.00 0.00 38.32 40.57 2dir h ASN 42 CO 0.38 -0.31 -0.03 0.54 -0.37 0.00 0.00 177.43 177.65 2dir s ASN 43 N -5.30 6.30 -0.07 1.15 2.20 -1.26 -5.11 114.94 112.85 2dir s ASN 43 Ca -0.14 0.73 -0.10 0.00 -0.94 0.00 0.00 52.86 52.41 2dir s ASN 43 Cb 0.23 -2.16 0.02 0.00 -2.00 0.00 0.00 41.25 37.35 2dir s ASN 43 CO 0.75 -0.43 0.26 -0.44 -2.94 0.00 0.00 177.10 174.29 2dir s SER 44 N -3.98 -0.22 -0.07 3.54 0.01 -1.26 -4.96 113.70 106.76 2dir s SER 44 Ca 0.44 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.95 2dir s SER 44 Cb -0.10 0.46 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 2dir s SER 44 CO 0.40 -0.19 -0.21 0.00 0.41 0.00 0.00 173.24 173.64 2dir n HIS 45 N 2.45 0.00 -2.29 2.43 1.44 -1.26 -5.01 115.22 112.98 2dir n HIS 45 Ca -0.16 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.16 2dir n HIS 45 Cb 0.57 -0.30 -0.03 0.00 0.12 0.00 0.00 29.99 30.35 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2dir s VAL 46 N -2.54 3.10 -0.20 0.61 0.11 -1.26 -4.90 120.40 115.32 2dir s VAL 46 Ca -0.18 1.04 -0.38 0.00 -2.93 0.00 0.00 61.98 59.53 2dir s VAL 46 Cb 0.02 -3.63 -0.14 0.00 -1.53 0.00 0.00 36.38 31.10 2dir s VAL 46 CO 0.26 0.20 1.78 0.59 -3.33 0.00 0.00 175.10 174.59 2dir n ASN 47 N 0.64 2.72 -0.08 3.54 4.13 -1.26 -4.86 115.26 120.09 2dir n ASN 47 Ca 0.01 1.04 -0.10 0.00 1.68 0.00 0.00 54.58 57.21 2dir n ASN 47 Cb 0.44 -1.22 -0.03 0.00 -1.54 0.00 0.00 39.78 37.43 2dir n ASN 47 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 2dir h ARG 48 N 7.77 0.40 0.17 3.52 2.43 -1.98 -2.91 114.38 123.78 2dir h ARG 48 Ca -0.47 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 2dir h ARG 48 Cb 1.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2dir h ARG 48 CO 0.95 0.43 -0.08 0.93 -1.51 0.00 0.00 179.97 180.69 2dir h GLU 49 N 0.29 -0.22 -0.97 0.20 3.07 -1.99 -2.90 114.58 112.05 2dir h GLU 49 Ca 0.09 0.02 0.13 0.00 -0.50 0.00 0.00 59.36 59.10 2dir h GLU 49 Cb 0.18 0.05 -0.15 0.00 -0.84 0.00 0.00 28.75 27.99 2dir h GLU 49 CO -0.01 0.07 -0.45 0.93 -1.40 0.00 0.00 179.01 178.16 2dir h GLU 50 N -0.52 -0.01 -0.57 2.33 4.39 -1.94 0.67 114.58 118.92 2dir h GLU 50 Ca -0.02 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.74 2dir h GLU 50 Cb 0.40 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.99 2dir h GLU 50 CO 0.04 -0.01 0.26 0.28 -1.16 0.00 0.00 179.01 178.42 2dir h VAL 51 N -0.01 0.89 0.00 3.13 2.07 -1.52 0.18 116.25 120.98 2dir h VAL 51 Ca 0.29 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2dir h VAL 51 Cb 0.54 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2dir h VAL 51 CO -0.96 0.09 0.00 -0.38 0.02 0.00 0.00 177.57 176.34 2dir n ILE 52 N -4.91 0.00 -0.32 4.57 5.41 0.13 -0.80 119.36 123.44 2dir n ILE 52 Ca 0.07 0.98 0.19 0.00 1.00 0.00 0.00 62.75 64.99 2dir n ILE 52 Cb 0.19 -1.88 0.38 0.00 -0.71 0.00 0.00 39.64 37.62 2dir n ILE 52 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2dir h ARG 53 N 0.00 0.10 0.67 0.38 3.08 0.04 -0.78 114.38 117.88 2dir h ARG 53 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2dir h ARG 53 Cb 0.00 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.03 2dir h ARG 53 CO 0.00 0.07 -0.32 1.49 -1.07 0.00 0.00 179.97 180.14 2dir h GLU 54 N 0.11 -0.87 -1.16 0.04 4.81 -0.70 -1.35 114.58 115.47 2dir h GLU 54 Ca 0.66 0.06 0.42 0.00 -0.13 0.00 0.00 59.36 60.37 2dir h GLU 54 Cb 1.49 0.20 -0.15 0.00 0.63 0.00 0.00 28.75 30.91 2dir h GLU 54 CO -0.76 -0.58 0.69 -0.07 -0.73 0.00 0.00 179.01 177.56 2dir h LEU 55 N -1.08 0.30 -0.08 1.64 3.38 0.42 0.67 115.31 120.56 2dir h LEU 55 Ca -0.09 0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2dir h LEU 55 Cb 0.69 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dir h LEU 55 CO 0.15 -0.30 -0.30 0.00 0.09 0.00 0.00 178.44 178.09 2dir h ALA 56 N 1.80 0.15 -0.30 1.53 0.00 -1.16 -3.02 119.26 118.26 2dir h ALA 56 Ca 0.83 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 55.41 2dir h ALA 56 Cb 2.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.13 2dir h ALA 56 CO -0.60 0.18 0.31 0.78 0.00 0.00 0.00 179.25 179.92 2dir h GLY 57 N -0.12 0.00 0.12 0.00 0.00 0.15 -2.57 103.07 100.65 2dir h GLY 57 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2dir h GLY 57 CO 0.06 0.00 -0.04 -2.22 0.00 0.00 0.00 176.54 174.35 2dir h ILE 58 N 0.00 0.58 -1.34 2.60 2.04 -1.29 -3.28 117.51 116.83 2dir h ILE 58 Ca 0.14 -1.29 0.44 0.00 1.00 0.00 0.00 64.86 65.15 2dir h ILE 58 Cb 0.77 1.07 -0.11 0.00 -0.74 0.00 0.00 36.82 37.80 2dir h ILE 58 CO -0.00 0.18 0.89 0.52 0.00 0.00 0.00 178.15 179.74 2dir n VAL 59 N -4.81 -0.17 -0.04 1.67 0.31 -0.97 0.17 118.33 114.49 2dir n VAL 59 Ca -0.05 1.53 -0.13 0.00 -0.01 0.00 0.00 64.34 65.68 2dir n VAL 59 Cb 0.19 -2.51 -0.08 0.00 -0.91 0.00 0.00 33.84 30.53 2dir n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dir h THR 61 N -0.16 0.00 0.00 0.00 1.03 0.17 -1.84 112.91 112.12 2dir h THR 61 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.38 2dir h THR 61 Cb 0.60 0.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.29 2dir h THR 61 CO 0.02 0.00 -0.27 -0.07 -0.01 0.00 0.00 175.52 175.20 2dir h LEU 62 N 0.00 0.00 -7.15 0.00 3.38 -1.27 -3.47 115.31 106.80 2dir h LEU 62 Ca 0.00 -0.44 -0.26 0.00 0.09 0.00 0.00 57.88 57.28 2dir h LEU 62 Cb 0.57 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.98 2dir h LEU 62 CO 0.00 0.87 -0.58 0.21 0.09 0.00 0.00 178.44 179.03 2dir s ASN 63 N -6.02 0.64 0.45 -0.43 3.84 -0.69 -4.39 114.94 108.34 2dir s ASN 63 Ca -0.13 0.38 0.20 0.00 0.21 0.00 0.00 52.86 53.51 2dir s ASN 63 Cb 0.00 0.52 1.16 0.00 -0.55 0.00 0.00 41.25 42.38 2dir s ASN 63 CO 0.37 -0.26 1.89 -1.28 -2.79 0.00 0.00 177.10 175.03 2dir h SER 64 N 8.32 0.31 0.10 -4.21 0.87 -1.87 0.41 113.55 117.47 2dir h SER 64 Ca -0.14 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2dir h SER 64 Cb 1.12 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2dir h SER 64 CO 0.16 0.13 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.23 2dir h GLU 65 N 0.31 0.00 -6.77 2.24 4.39 -1.95 -3.43 114.58 109.37 2dir h GLU 65 Ca 0.42 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.59 2dir h GLU 65 Cb 1.15 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.87 2dir h GLU 65 CO -0.12 0.03 0.81 -0.80 -1.16 0.00 0.00 179.01 177.77 2dir s ASN 66 N -6.07 6.54 -0.26 1.42 0.01 0.14 -4.45 114.94 112.27 2dir s ASN 66 Ca -0.04 2.78 -0.01 0.00 -0.71 0.00 0.00 52.86 54.87 2dir s ASN 66 Cb 0.14 -2.63 0.13 0.00 0.41 0.00 0.00 41.25 39.31 2dir s ASN 66 CO 0.54 -0.78 0.34 -0.54 -1.51 0.00 0.00 177.10 175.15 2dir s LYS 67 N -0.47 0.33 0.08 -0.60 -0.14 -0.52 -4.82 119.74 113.60 2dir s LYS 67 Ca 0.61 0.20 -0.31 0.00 -1.36 0.00 0.00 55.97 55.11 2dir s LYS 67 Cb -0.44 -0.61 -0.10 0.00 -1.68 0.00 0.00 37.83 35.00 2dir s LYS 67 CO 0.45 -0.84 1.88 0.54 -0.76 0.00 0.00 175.35 176.63 2dir s VAL 68 N 2.46 2.77 0.11 3.17 0.11 -1.26 -3.62 120.40 124.13 2dir s VAL 68 Ca 0.10 0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.29 2dir s VAL 68 Cb -0.14 -3.04 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 2dir s VAL 68 CO -0.23 -0.00 -0.19 -0.62 -3.33 0.00 0.00 175.10 170.73 2dir s ASP 69 N 3.45 2.41 0.00 3.54 2.15 0.32 -4.79 116.67 123.75 2dir s ASP 69 Ca 0.84 -0.73 0.09 0.00 0.43 0.00 0.00 52.55 53.17 2dir s ASP 69 Cb -0.44 -0.12 0.08 0.00 -0.30 0.00 0.00 42.92 42.13 2dir s ASP 69 CO 0.38 -0.00 0.80 0.18 -0.17 0.00 0.00 175.17 176.36 2dir n LEU 70 N 0.87 1.78 -0.06 -1.34 4.77 -1.26 -3.34 117.00 118.41 2dir n LEU 70 Ca -0.18 -1.05 -0.12 0.00 -0.03 0.00 0.00 56.01 54.63 2dir n LEU 70 Cb 0.55 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2dir n LEU 70 CO 0.24 0.36 -0.75 0.41 -1.33 0.00 0.00 177.39 176.32 2dir n THR 71 N 0.48 1.15 -2.51 -5.08 -1.04 -1.26 -4.78 114.28 101.24 2dir n THR 71 Ca 0.05 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.78 2dir n THR 71 Cb 0.23 -1.89 -0.00 0.00 -1.82 0.00 0.00 70.33 66.85 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 -3.91 4.95 -4.72 8.00 5.03 -1.26 -5.06 115.26 118.29 2dir n ASN 72 Ca -0.21 -3.72 -0.42 0.00 0.87 0.00 0.00 54.58 51.10 2dir n ASN 72 Cb 0.53 -0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 38.72 2dir n ASN 72 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2dir s PRO 73 N -3.59 4.34 0.01 3.52 0.04 -1.26 -4.82 135.00 133.25 2dir s PRO 73 Ca 0.48 2.04 0.14 0.00 0.04 0.00 0.00 61.00 63.70 2dir s PRO 73 Cb 0.38 -3.25 -0.19 0.00 0.04 0.00 0.00 34.50 31.49 2dir s PRO 73 CO -0.20 -0.38 0.75 1.96 0.04 0.00 0.00 177.00 179.17 2dir h GLN 74 N 6.56 0.00 -3.94 4.56 1.08 -1.68 -3.42 115.11 118.27 2dir h GLN 74 Ca -0.42 0.00 -0.42 0.00 -1.45 0.00 0.00 58.65 56.35 2dir h GLN 74 Cb 1.21 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 28.29 2dir h GLN 74 CO 0.84 0.41 -0.77 0.71 -0.95 0.00 0.00 178.83 179.08 2dir s TYR 75 N -2.74 0.76 -0.40 2.96 2.02 -0.93 -1.66 117.35 117.36 2dir s TYR 75 Ca -0.04 -0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.28 2dir s TYR 75 Cb 0.08 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.93 2dir s TYR 75 CO 0.82 -0.25 0.37 0.99 -1.57 0.00 0.00 175.55 175.91 2dir s THR 76 N 1.26 5.17 -0.48 -0.71 2.01 0.32 -1.12 115.64 122.09 2dir s THR 76 Ca -0.06 -0.37 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 2dir s THR 76 Cb -0.14 -3.95 0.12 0.00 0.01 0.00 0.00 72.50 68.54 2dir s THR 76 CO -0.02 -0.31 0.37 0.68 -0.69 0.00 0.00 174.62 174.65 2dir s VAL 77 N 1.95 4.45 0.08 3.82 -7.23 -0.86 -2.30 120.40 120.30 2dir s VAL 77 Ca 0.09 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 2dir s VAL 77 Cb -0.18 -3.88 -0.04 0.00 0.56 0.00 0.00 36.38 32.84 2dir s VAL 77 CO 0.12 -0.76 0.19 0.68 -0.31 0.00 0.00 175.10 175.02 2dir s VAL 78 N 1.43 5.15 -0.31 1.32 -7.23 -0.90 -2.32 120.40 117.55 2dir s VAL 78 Ca 0.05 -0.54 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2dir s VAL 78 Cb -0.27 -3.53 0.09 0.00 0.56 0.00 0.00 36.38 33.24 2dir s VAL 78 CO 0.01 0.10 0.04 0.54 -0.31 0.00 0.00 175.10 175.48 2dir s VAL 79 N -1.52 1.64 0.28 1.32 0.11 -0.41 -1.25 120.40 120.56 2dir s VAL 79 Ca 0.33 -1.78 -0.06 0.00 -2.93 0.00 0.00 61.98 57.54 2dir s VAL 79 Cb -0.12 -2.15 -0.06 0.00 -1.53 0.00 0.00 36.38 32.52 2dir s VAL 79 CO 0.26 -0.52 0.57 -0.70 -3.33 0.00 0.00 175.10 171.38 2dir s GLU 80 N 1.25 3.68 -0.35 1.54 2.12 -0.42 -2.37 118.70 124.15 2dir s GLU 80 Ca 0.07 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.51 2dir s GLU 80 Cb -0.18 -2.63 0.09 0.00 0.26 0.00 0.00 34.13 31.67 2dir s GLU 80 CO -0.14 0.22 0.07 0.42 -0.54 0.00 0.00 175.26 175.30 2dir s ILE 81 N -2.03 2.72 -0.34 -3.70 -1.09 -1.15 -1.19 121.20 114.42 2dir s ILE 81 Ca 0.45 -2.00 0.04 0.00 -2.23 0.00 0.00 60.65 56.91 2dir s ILE 81 Cb -0.11 -2.83 0.10 0.00 -1.58 0.00 0.00 42.46 38.04 2dir s ILE 81 CO 0.28 -0.48 0.05 -0.63 -1.23 0.00 0.00 174.94 172.93 2dir s ILE 82 N 1.06 2.32 -0.81 2.92 1.01 -1.02 -4.65 121.20 122.03 2dir s ILE 82 Ca 0.05 -2.32 -0.01 0.00 0.00 0.00 0.00 60.65 58.37 2dir s ILE 82 Cb -0.20 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 2dir s ILE 82 CO -0.05 -0.59 0.68 0.29 0.00 0.00 0.00 174.94 175.27 2dir n LYS 83 N 4.27 -3.97 -3.71 2.79 5.02 -1.26 -3.14 118.16 118.16 2dir n LYS 83 Ca 0.03 0.59 -0.26 0.00 -2.02 0.00 0.00 58.31 56.66 2dir n LYS 83 Cb 0.42 -4.77 0.06 0.00 -0.02 0.00 0.00 35.03 30.72 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 -3.08 -1.37 -2.65 7.82 0.00 -1.26 -4.99 120.51 114.98 2dir n ALA 84 Ca -0.17 0.28 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 2dir n ALA 84 Cb 0.61 -4.84 -0.15 0.00 0.00 0.00 0.00 19.45 15.07 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 -3.33 0.83 -0.30 0.00 0.11 -1.19 -5.12 120.40 111.40 2dir s VAL 85 Ca 0.56 -0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 58.94 2dir s VAL 85 Cb -0.26 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2dir s VAL 85 CO 0.77 0.21 0.59 0.00 -3.33 0.00 0.00 175.10 173.34 2dir s LEU 88 N 1.18 4.16 -0.20 0.00 1.02 -1.26 -1.30 118.68 122.28 2dir s LEU 88 Ca 0.06 0.95 -0.01 0.00 0.02 0.00 0.00 54.13 55.14 2dir s LEU 88 Cb -0.22 -3.00 0.00 0.00 0.02 0.00 0.00 46.19 42.99 2dir s LEU 88 CO -0.03 -0.31 -0.12 -0.55 0.02 0.00 0.00 176.35 175.36 2dir s SER 89 N 1.18 3.72 -0.17 2.29 0.15 -0.38 -4.96 113.70 115.52 2dir s SER 89 Ca 0.32 -0.51 -0.08 0.00 0.70 0.00 0.00 55.95 56.38 2dir s SER 89 Cb -0.16 -1.61 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 2dir s SER 89 CO 0.11 -0.00 0.08 -0.69 1.20 0.00 0.00 173.24 173.94 2dir s VAL 90 N 1.33 4.98 -0.03 4.45 1.01 -1.26 -2.12 120.40 128.77 2dir s VAL 90 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2dir s VAL 90 Cb -0.14 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2dir s VAL 90 CO -0.07 0.48 0.05 -0.69 0.00 0.00 0.00 175.10 174.86 2dir s VAL 91 N 0.15 -0.08 -0.31 2.92 1.01 -0.98 -4.95 120.40 118.17 2dir s VAL 91 Ca 0.06 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 2dir s VAL 91 Cb -0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 2dir s VAL 91 CO 0.00 0.13 0.65 -0.75 0.00 0.00 0.00 175.10 175.13 2dir s LYS 92 N 1.54 3.90 -0.06 2.72 2.20 -1.26 -0.52 119.74 128.27 2dir s LYS 92 Ca -0.03 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 2dir s LYS 92 Cb -0.13 -3.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.47 2dir s LYS 92 CO -0.03 -0.59 -0.15 0.45 -0.36 0.00 0.00 175.35 174.67 2dir s SER 93 N 1.64 1.95 0.00 1.43 0.15 -0.66 -5.02 113.70 113.19 2dir s SER 93 Ca 0.26 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dir s SER 93 Cb -0.15 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 2dir s SER 93 CO 0.12 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2dir n GLY 94 N 3.49 5.60 3.58 9.45 0.00 -1.26 -4.26 105.19 121.80 2dir n GLY 94 Ca -0.20 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 1.64 3.13 0.04 1.61 0.04 -1.26 -4.90 135.00 135.30 2dir s PRO 95 Ca 0.00 1.06 -0.33 0.00 0.04 0.00 0.00 61.00 61.78 2dir s PRO 95 Cb 0.00 -4.24 -0.18 0.00 0.04 0.00 0.00 34.50 30.12 2dir s PRO 95 CO 0.00 -2.11 1.38 0.77 0.04 0.00 0.00 177.00 177.07 2dir h SER 96 N 13.24 -0.99 -3.31 6.66 0.02 -2.04 -3.42 113.55 123.70 2dir h SER 96 Ca -0.30 0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.16 2dir h SER 96 Cb 1.16 0.26 0.05 0.00 0.14 0.00 0.00 62.40 64.00 2dir h SER 96 CO 1.11 -0.64 0.73 -0.44 -1.14 0.00 0.00 176.83 176.45 2dir s SER 97 N -4.21 6.73 0.00 3.07 0.01 -1.26 -5.33 113.70 112.71 2dir s SER 97 Ca -0.17 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.65 2dir s SER 97 Cb 0.02 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2dir s SER 97 CO 0.53 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 174.13