#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 2.32 -0.46 1.61 0.01 -1.26 -5.01 113.70 110.92 2dir s SER 2 Ca 0.00 1.79 0.04 0.00 1.31 0.00 0.00 55.95 59.09 2dir s SER 2 Cb 0.00 -2.39 0.12 0.00 0.21 0.00 0.00 66.02 63.96 2dir s SER 2 CO 0.00 -3.41 0.19 -0.44 0.41 0.00 0.00 173.24 169.99 2dir s SER 3 N -2.78 4.45 0.80 2.44 0.01 -1.26 -5.10 113.70 112.27 2dir s SER 3 Ca 0.67 -2.72 -0.15 0.00 1.31 0.00 0.00 55.95 55.06 2dir s SER 3 Cb -0.23 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 2dir s SER 3 CO 0.60 -0.28 0.45 0.61 0.41 0.00 0.00 173.24 175.03 2dir n GLY 4 N 3.50 -1.79 3.63 3.44 0.00 -1.26 -4.94 105.19 107.77 2dir n GLY 4 Ca 0.05 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 2dir n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dir s SER 5 N -1.63 6.38 1.11 1.61 0.01 -1.26 -5.07 113.70 114.85 2dir s SER 5 Ca 0.62 0.45 -0.13 0.00 1.31 0.00 0.00 55.95 58.19 2dir s SER 5 Cb -0.30 -2.25 0.25 0.00 0.21 0.00 0.00 66.02 63.93 2dir s SER 5 CO 0.62 -0.20 1.06 -0.44 0.41 0.00 0.00 173.24 174.69 2dir s SER 6 N 1.44 1.59 -0.00 2.44 0.01 -1.26 -4.93 113.70 112.98 2dir s SER 6 Ca 0.19 1.24 -0.30 0.00 1.31 0.00 0.00 55.95 58.38 2dir s SER 6 Cb -0.15 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.10 2dir s SER 6 CO 0.09 -3.78 1.33 -0.83 0.41 0.00 0.00 173.24 170.46 2dir s GLY 7 N -3.09 1.96 -0.16 3.44 0.00 -1.26 -5.01 107.32 103.21 2dir s GLY 7 Ca 0.67 0.82 -0.04 0.00 0.00 0.00 0.00 44.72 46.18 2dir s GLY 7 CO 0.61 2.39 0.06 0.54 0.00 0.00 0.00 173.10 176.70 2dir s LYS 8 N 2.19 0.28 0.24 2.90 1.02 -1.26 -5.03 119.74 120.08 2dir s LYS 8 Ca 0.61 -0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.34 2dir s LYS 8 Cb -0.30 -1.76 0.33 0.00 -0.52 0.00 0.00 37.83 35.58 2dir s LYS 8 CO 0.26 -0.61 1.58 0.00 -0.92 0.00 0.00 175.35 175.66 2dir h ALA 9 N 8.36 0.46 -0.96 5.17 0.00 -1.97 0.53 119.26 130.84 2dir h ALA 9 Ca -0.15 0.31 0.30 0.00 0.00 0.00 0.00 54.91 55.37 2dir h ALA 9 Cb 1.14 0.72 -0.16 0.00 0.00 0.00 0.00 17.79 19.49 2dir h ALA 9 CO 0.29 -0.45 0.38 0.35 0.00 0.00 0.00 179.25 179.82 2dir h PHE 10 N -0.02 0.59 0.00 0.00 3.57 -1.99 -0.38 116.94 118.71 2dir h PHE 10 Ca 0.39 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2dir h PHE 10 Cb 0.62 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2dir h PHE 10 CO -0.70 -0.27 -0.24 -0.07 -2.23 0.00 0.00 178.31 174.80 2dir h LEU 11 N 0.19 0.00 -0.72 0.59 3.38 -0.55 -3.06 115.31 115.15 2dir h LEU 11 Ca 0.67 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.72 2dir h LEU 11 Cb 1.52 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.17 2dir h LEU 11 CO -0.69 0.56 -0.39 -0.62 0.09 0.00 0.00 178.44 177.40 2dir n GLU 12 N -4.38 -0.28 -0.23 1.13 -0.58 0.77 0.14 120.64 117.21 2dir n GLU 12 Ca -0.03 1.09 -0.07 0.00 -0.42 0.00 0.00 57.16 57.72 2dir n GLU 12 Cb 0.13 -1.60 0.03 0.00 -0.57 0.00 0.00 31.44 29.43 2dir n GLU 12 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2dir h ASP 13 N 0.00 0.89 0.15 1.62 1.82 -1.27 -3.13 116.42 116.49 2dir h ASP 13 Ca 0.15 -0.19 0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2dir h ASP 13 Cb 0.33 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.07 2dir h ASP 13 CO -0.68 0.83 -0.37 -0.03 -1.61 0.00 0.00 179.24 177.38 2dir h MET 14 N 0.89 -0.60 -0.71 0.28 4.05 0.13 -2.59 114.93 116.38 2dir h MET 14 Ca 0.21 0.04 0.11 0.00 -0.28 0.00 0.00 59.70 59.78 2dir h MET 14 Cb 0.24 0.14 -0.12 0.00 -0.80 0.00 0.00 31.60 31.06 2dir h MET 14 CO -0.01 -0.40 -0.27 1.63 0.23 0.00 0.00 176.91 178.09 2dir n LYS 15 N -5.45 -0.16 0.04 0.39 5.02 0.72 0.21 118.16 118.93 2dir n LYS 15 Ca -0.07 1.10 -0.04 0.00 -2.02 0.00 0.00 58.31 57.28 2dir n LYS 15 Cb 0.36 -1.63 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 2dir n LYS 15 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2dir h LYS 16 N 0.00 -0.19 0.19 1.97 6.56 -1.55 0.30 116.57 123.85 2dir h LYS 16 Ca 0.25 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 2dir h LYS 16 Cb 0.43 0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.10 2dir h LYS 16 CO -0.71 -0.13 -0.43 -0.92 -2.06 0.00 0.00 179.45 175.20 2dir h TYR 17 N -0.20 -1.24 -0.98 -1.35 5.03 -0.88 -0.48 116.97 116.87 2dir h TYR 17 Ca -0.00 0.03 0.31 0.00 2.58 0.00 0.00 58.73 61.64 2dir h TYR 17 Cb 0.19 0.52 -0.15 0.00 1.55 0.00 0.00 36.73 38.84 2dir h TYR 17 CO -0.28 -0.51 0.50 0.00 -1.32 0.00 0.00 178.16 176.55 2dir h ALA 18 N -0.81 1.83 -0.30 1.82 0.00 -0.22 0.94 119.26 122.52 2dir h ALA 18 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dir h ALA 18 Cb 0.65 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2dir h ALA 18 CO -0.19 -0.57 0.00 0.39 0.00 0.00 0.00 179.25 178.88 2dir n GLU 19 N -5.10 0.00 0.03 0.00 1.02 0.11 -0.27 120.64 116.43 2dir n GLU 19 Ca 0.30 0.45 0.02 0.00 -0.02 0.00 0.00 57.16 57.91 2dir n GLU 19 Cb 0.94 -1.31 0.10 0.00 -0.02 0.00 0.00 31.44 31.16 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 -1.85 1.66 -0.03 2.62 5.66 -0.28 0.73 114.28 122.78 2dir n THR 20 Ca 0.00 0.55 -0.14 0.00 -3.05 0.00 0.00 64.05 61.41 2dir n THR 20 Cb 0.00 -1.55 -0.14 0.00 -1.55 0.00 0.00 70.33 67.09 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 -1.60 0.90 0.36 1.09 7.35 0.32 -4.19 117.46 121.70 2dir n PHE 21 Ca -0.00 0.26 0.09 0.00 -0.76 0.00 0.00 57.45 57.04 2dir n PHE 21 Cb 0.05 -1.14 0.15 0.00 0.35 0.00 0.00 39.48 38.89 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 -3.18 2.94 0.16 -2.13 4.77 0.63 -4.59 117.00 115.59 2dir n LEU 22 Ca -0.26 -1.39 -0.15 0.00 -0.03 0.00 0.00 56.01 54.18 2dir n LEU 22 Cb 1.06 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.92 2dir n LEU 22 CO 0.43 0.62 0.59 -0.33 -1.33 0.00 0.00 177.39 177.36 2dir h GLU 23 N 3.54 -0.69 0.00 3.23 5.08 0.14 1.39 114.58 127.27 2dir h GLU 23 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2dir h GLU 23 Cb 0.82 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2dir h GLU 23 CO 0.00 -0.46 0.00 -0.35 -1.00 0.00 0.00 179.01 177.20 2dir n PRO 24 N -5.48 0.17 -0.02 2.33 -0.04 -1.26 0.33 135.00 131.03 2dir n PRO 24 Ca -0.08 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2dir n PRO 24 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.33 -4.62 117.44 119.72 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 -0.40 0.00 0.00 -2.01 0.00 0.00 31.31 29.03 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 -2.11 0.00 -2.53 -5.99 3.72 0.46 -4.36 117.46 106.66 2dir n PHE 26 Ca -0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.92 2dir n PHE 26 Cb 0.49 0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 39.04 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 -1.67 4.57 0.84 -1.08 2.20 0.99 -3.89 119.74 121.71 2dir s LYS 27 Ca 0.00 1.69 -0.17 0.00 -0.36 0.00 0.00 55.97 57.13 2dir s LYS 27 Cb 0.00 -3.31 -0.13 0.00 -1.51 0.00 0.00 37.83 32.88 2dir s LYS 27 CO 0.00 0.02 -0.47 0.00 -0.36 0.00 0.00 175.35 174.54 2dir n ALA 28 N 2.75 -4.43 0.86 3.13 0.00 -1.26 -2.16 120.51 119.40 2dir n ALA 28 Ca 0.04 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.08 2dir n ALA 28 Cb 0.47 -1.29 0.43 0.00 0.00 0.00 0.00 19.45 19.05 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 1.79 0.37 -2.78 0.00 -0.04 -1.26 -4.84 135.00 128.25 2dir n PRO 29 Ca 0.02 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 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 -2.24 6.86 -0.16 3.54 0.01 -0.92 -5.06 114.94 116.98 2dir s ASN 30 Ca 0.20 1.72 -0.34 0.00 -0.71 0.00 0.00 52.86 53.72 2dir s ASN 30 Cb 0.10 -2.54 0.14 0.00 0.41 0.00 0.00 41.25 39.36 2dir s ASN 30 CO 0.20 -0.42 1.22 -1.59 -1.51 0.00 0.00 177.10 175.01 2dir s LYS 31 N -3.19 0.32 0.00 -0.60 -2.85 -1.25 -3.80 119.74 108.37 2dir s LYS 31 Ca 0.63 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.46 2dir s LYS 31 Cb -0.10 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.81 2dir s LYS 31 CO 0.14 -0.14 0.00 0.41 0.10 0.00 0.00 175.35 175.86 2dir n GLY 32 N -0.17 0.16 3.96 0.59 0.00 -1.26 -4.99 105.19 103.48 2dir n GLY 32 Ca -0.01 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.26 2.73 0.19 2.61 -4.23 -1.26 -1.45 115.64 110.97 2dir s THR 33 Ca 0.00 -1.15 -0.23 0.00 -1.18 0.00 0.00 61.69 59.13 2dir s THR 33 Cb 0.00 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 71.03 2dir s THR 33 CO 0.00 0.00 0.99 0.72 -0.54 0.00 0.00 174.62 175.79 2dir s PHE 34 N -2.45 0.00 -0.19 3.99 -0.71 -1.23 -2.28 117.98 115.11 2dir s PHE 34 Ca 0.52 -0.39 -0.04 0.00 -1.04 0.00 0.00 56.93 55.98 2dir s PHE 34 Cb -0.07 0.69 0.08 0.00 -1.21 0.00 0.00 43.02 42.51 2dir s PHE 34 CO 0.31 -0.94 0.18 1.14 -1.34 0.00 0.00 175.22 174.58 2dir s GLN 35 N -2.59 0.15 0.21 1.99 -2.07 -0.50 0.79 119.66 117.64 2dir s GLN 35 Ca 0.18 0.16 -0.23 0.00 -1.82 0.00 0.00 55.36 53.64 2dir s GLN 35 Cb -0.02 -1.30 -0.08 0.00 -1.09 0.00 0.00 33.01 30.51 2dir s GLN 35 CO 0.05 -0.64 0.78 0.42 -1.32 0.00 0.00 175.29 174.58 2dir s ILE 36 N 2.28 4.42 -0.06 3.63 1.01 -1.26 -2.21 121.20 129.01 2dir s ILE 36 Ca 0.05 1.56 -0.02 0.00 0.00 0.00 0.00 60.65 62.24 2dir s ILE 36 Cb -0.16 -4.01 0.04 0.00 0.01 0.00 0.00 42.46 38.34 2dir s ILE 36 CO -0.11 0.35 0.12 -0.69 0.00 0.00 0.00 174.94 174.61 2dir s VAL 37 N -1.36 -0.12 -0.54 2.92 1.01 -1.02 -4.99 120.40 116.31 2dir s VAL 37 Ca 0.41 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.43 2dir s VAL 37 Cb -0.20 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.01 2dir s VAL 37 CO 0.24 0.11 0.82 -0.47 0.00 0.00 0.00 175.10 175.80 2dir s TYR 38 N 1.57 2.88 -0.35 5.22 5.04 -1.26 -1.53 117.35 128.91 2dir s TYR 38 Ca -0.04 -0.24 -0.08 0.00 -2.44 0.00 0.00 57.07 54.26 2dir s TYR 38 Cb -0.12 -3.88 0.04 0.00 0.35 0.00 0.00 41.96 38.34 2dir s TYR 38 CO -0.05 -1.25 0.14 0.15 -1.34 0.00 0.00 175.55 173.21 2dir s LYS 39 N 3.45 2.68 0.11 4.97 1.02 -0.75 -4.99 119.74 126.23 2dir s LYS 39 Ca 0.24 -1.16 -0.03 0.00 0.02 0.00 0.00 55.97 55.04 2dir s LYS 39 Cb -0.15 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 2dir s LYS 39 CO 0.16 -0.69 0.08 -1.54 -0.92 0.00 0.00 175.35 172.44 2dir s SER 40 N 1.48 0.30 -0.03 2.83 1.04 -1.26 -1.94 113.70 116.11 2dir s SER 40 Ca -0.00 -1.05 -0.21 0.00 0.48 0.00 0.00 55.95 55.17 2dir s SER 40 Cb -0.20 0.30 -0.29 0.00 0.10 0.00 0.00 66.02 65.93 2dir s SER 40 CO 0.04 -0.72 0.96 0.03 0.98 0.00 0.00 173.24 174.53 2dir h ARG 41 N 2.88 0.33 -4.01 4.02 -0.00 -1.98 -3.44 114.38 112.18 2dir h ARG 41 Ca -0.34 -0.49 -0.56 0.00 -0.50 0.00 0.00 59.98 58.09 2dir h ARG 41 Cb 1.19 0.17 -0.39 0.00 0.00 0.00 0.00 29.97 30.94 2dir h ARG 41 CO 0.59 1.20 -0.78 -0.80 0.00 0.00 0.00 179.97 180.18 2dir s ASN 42 N -6.90 3.12 0.17 7.04 -0.87 -1.26 -5.01 114.94 111.23 2dir s ASN 42 Ca -0.13 -0.85 -0.14 0.00 -1.57 0.00 0.00 52.86 50.17 2dir s ASN 42 Cb 0.02 -0.88 0.10 0.00 -0.02 0.00 0.00 41.25 40.46 2dir s ASN 42 CO 0.83 -0.24 1.80 -0.55 -2.57 0.00 0.00 177.10 176.37 2dir h ASN 43 N 8.11 0.41 -0.95 -1.22 -1.07 -1.89 -2.41 115.58 116.57 2dir h ASN 43 Ca -0.20 0.01 0.35 0.00 0.07 0.00 0.00 56.30 56.54 2dir h ASN 43 Cb 1.10 -0.07 -0.17 0.00 -2.07 0.00 0.00 38.32 37.11 2dir h ASN 43 CO 0.38 0.29 0.35 -0.24 0.07 0.00 0.00 177.43 178.28 2dir n SER 44 N -4.85 0.18 -0.27 6.14 2.88 -1.26 -0.22 113.62 116.23 2dir n SER 44 Ca 0.03 1.59 0.07 0.00 -1.33 0.00 0.00 58.87 59.23 2dir n SER 44 Cb 0.09 -0.71 0.14 0.00 -0.75 0.00 0.00 64.21 62.99 2dir n SER 44 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2dir n HIS 45 N -5.24 0.33 -3.60 0.66 -0.00 -0.91 -4.59 115.22 101.87 2dir n HIS 45 Ca 0.31 0.92 -0.10 0.00 -0.00 0.00 0.00 57.72 58.85 2dir n HIS 45 Cb 1.06 -0.98 -0.06 0.00 -0.00 0.00 0.00 29.99 30.01 2dir n HIS 45 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2dir s VAL 46 N -5.88 0.00 0.13 3.57 0.11 0.70 -5.13 120.40 113.90 2dir s VAL 46 Ca -0.11 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.62 2dir s VAL 46 Cb 0.21 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.95 2dir s VAL 46 CO 0.59 0.00 1.81 0.59 -3.33 0.00 0.00 175.10 174.76 2dir n ASN 47 N 1.33 3.97 -0.04 3.54 3.02 -1.26 -4.85 115.26 120.96 2dir n ASN 47 Ca -0.11 1.00 -0.13 0.00 -0.03 0.00 0.00 54.58 55.31 2dir n ASN 47 Cb 0.57 -1.54 -0.08 0.00 -0.61 0.00 0.00 39.78 38.12 2dir n ASN 47 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2dir h ARG 48 N 8.15 0.21 -0.99 3.52 0.11 -1.99 -3.23 114.38 120.16 2dir h ARG 48 Ca -0.46 -0.11 0.20 0.00 0.10 0.00 0.00 59.98 59.72 2dir h ARG 48 Cb 1.22 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 32.12 2dir h ARG 48 CO 0.95 0.62 -0.24 0.93 0.10 0.00 0.00 179.97 182.32 2dir h GLU 49 N -0.19 0.00 -0.71 0.08 5.08 -1.98 0.82 114.58 117.68 2dir h GLU 49 Ca 0.02 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2dir h GLU 49 Cb 0.58 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2dir h GLU 49 CO 0.02 0.00 0.29 0.93 -1.00 0.00 0.00 179.01 179.25 2dir h GLU 50 N 0.00 0.44 0.06 2.33 3.07 -1.96 0.17 114.58 118.69 2dir h GLU 50 Ca 0.48 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2dir h GLU 50 Cb 0.73 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2dir h GLU 50 CO -1.02 0.29 -0.03 0.28 -1.40 0.00 0.00 179.01 177.13 2dir h VAL 51 N 0.45 0.00 -0.35 3.13 2.07 0.46 -2.94 116.25 119.06 2dir h VAL 51 Ca 0.38 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.85 2dir h VAL 51 Cb 0.53 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.24 2dir h VAL 51 CO -0.36 0.00 -0.34 0.40 0.02 0.00 0.00 177.57 177.28 2dir h ILE 52 N -0.17 0.00 -0.55 4.57 2.04 -0.85 0.22 117.51 122.78 2dir h ILE 52 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.90 2dir h ILE 52 Cb 0.06 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.07 2dir h ILE 52 CO 0.01 0.00 -0.36 0.03 0.00 0.00 0.00 178.15 177.83 2dir h ARG 53 N -0.17 -0.05 0.08 2.37 2.47 -0.82 -1.47 114.38 116.78 2dir h ARG 53 Ca 0.06 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 2dir h ARG 53 Cb 0.33 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 2dir h ARG 53 CO -0.42 -0.03 -0.36 1.49 0.56 0.00 0.00 179.97 181.21 2dir h GLU 54 N -0.05 -0.48 -0.76 0.04 4.57 -1.23 -1.01 114.58 115.65 2dir h GLU 54 Ca 0.09 0.03 0.31 0.00 -1.18 0.00 0.00 59.36 58.62 2dir h GLU 54 Cb 0.28 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 28.85 2dir h GLU 54 CO -0.54 -0.32 0.42 1.28 -1.18 0.00 0.00 179.01 178.67 2dir n LEU 55 N -4.47 0.25 -0.03 1.64 4.77 0.71 0.16 117.00 120.02 2dir n LEU 55 Ca -0.06 1.21 -0.14 0.00 -0.03 0.00 0.00 56.01 57.00 2dir n LEU 55 Cb 0.28 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2dir n LEU 55 CO 0.10 -1.35 0.52 0.00 -1.33 0.00 0.00 177.39 175.33 2dir h ALA 56 N 1.45 0.02 -0.35 -1.18 0.00 -0.21 -3.10 119.26 115.89 2dir h ALA 56 Ca 0.63 -0.36 0.10 0.00 0.00 0.00 0.00 54.91 55.28 2dir h ALA 56 Cb 1.70 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 2dir h ALA 56 CO -0.55 -0.10 0.33 0.78 0.00 0.00 0.00 179.25 179.71 2dir h GLY 57 N -0.61 0.00 0.61 0.00 0.00 0.26 -1.57 103.07 101.76 2dir h GLY 57 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2dir h GLY 57 CO 0.01 0.00 -0.28 -2.22 0.00 0.00 0.00 176.54 174.05 2dir h ILE 58 N 0.00 1.46 -0.61 2.60 2.04 -1.11 -3.18 117.51 118.70 2dir h ILE 58 Ca 0.17 -1.75 0.11 0.00 1.00 0.00 0.00 64.86 64.39 2dir h ILE 58 Cb 0.82 2.44 -0.12 0.00 -0.74 0.00 0.00 36.82 39.23 2dir h ILE 58 CO -0.00 0.49 -0.28 0.58 0.00 0.00 0.00 178.15 178.94 2dir h VAL 59 N -0.28 0.22 -0.99 1.67 2.07 -1.21 0.19 116.25 117.92 2dir h VAL 59 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2dir h VAL 59 Cb 0.95 0.22 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 2dir h VAL 59 CO 0.06 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.28 2dir h THR 61 N 1.10 0.60 0.04 0.00 2.02 -0.60 -2.89 112.91 113.18 2dir h THR 61 Ca 0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.63 2dir h THR 61 Cb 0.28 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 2dir h THR 61 CO -0.21 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.59 2dir h LEU 62 N 0.00 -0.05 -7.69 2.58 3.38 -0.87 -3.46 115.31 109.21 2dir h LEU 62 Ca 0.33 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.74 2dir h LEU 62 Cb 1.35 0.01 -0.37 0.00 0.09 0.00 0.00 40.66 41.74 2dir h LEU 62 CO -0.00 0.11 -0.80 0.21 0.09 0.00 0.00 178.44 178.04 2dir s ASN 63 N -3.66 2.65 0.55 -0.43 3.84 -1.09 -4.67 114.94 112.13 2dir s ASN 63 Ca -0.01 -0.54 0.28 0.00 0.21 0.00 0.00 52.86 52.80 2dir s ASN 63 Cb 0.00 -0.95 1.46 0.00 -0.55 0.00 0.00 41.25 41.21 2dir s ASN 63 CO 0.02 -0.14 1.95 -1.28 -2.79 0.00 0.00 177.10 174.86 2dir h SER 64 N 8.12 0.00 0.30 -4.21 0.87 -1.87 0.37 113.55 117.13 2dir h SER 64 Ca -0.28 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.26 2dir h SER 64 Cb 1.12 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 2dir h SER 64 CO 0.43 0.00 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.30 2dir h GLU 65 N 0.00 0.00 -6.75 2.24 4.39 -1.94 -3.43 114.58 109.09 2dir h GLU 65 Ca 0.27 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.44 2dir h GLU 65 Cb 1.17 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.88 2dir h GLU 65 CO -0.00 0.10 0.78 -0.80 -1.16 0.00 0.00 179.01 177.93 2dir s ASN 66 N -6.16 6.61 -0.23 1.42 0.01 0.13 -4.38 114.94 112.33 2dir s ASN 66 Ca -0.03 2.70 -0.03 0.00 -0.71 0.00 0.00 52.86 54.79 2dir s ASN 66 Cb 0.13 -2.62 0.12 0.00 0.41 0.00 0.00 41.25 39.29 2dir s ASN 66 CO 0.58 -0.74 0.30 -0.54 -1.51 0.00 0.00 177.10 175.19 2dir s LYS 67 N -0.30 0.28 0.07 -0.60 1.02 -0.53 -4.74 119.74 114.94 2dir s LYS 67 Ca 0.60 0.27 -0.31 0.00 0.02 0.00 0.00 55.97 56.56 2dir s LYS 67 Cb -0.43 -0.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.97 2dir s LYS 67 CO 0.43 -0.72 1.71 0.54 -0.92 0.00 0.00 175.35 176.40 2dir s VAL 68 N 2.42 2.96 0.05 3.17 0.11 -1.26 -3.53 120.40 124.31 2dir s VAL 68 Ca 0.10 0.37 0.04 0.00 -2.93 0.00 0.00 61.98 59.56 2dir s VAL 68 Cb -0.15 -3.24 -0.03 0.00 -1.53 0.00 0.00 36.38 31.43 2dir s VAL 68 CO -0.17 -0.00 -0.11 -0.62 -3.33 0.00 0.00 175.10 170.86 2dir s ASP 69 N 2.65 1.33 0.00 3.54 -1.08 0.24 -4.83 116.67 118.52 2dir s ASP 69 Ca 0.76 -0.55 0.08 0.00 -0.52 0.00 0.00 52.55 52.33 2dir s ASP 69 Cb -0.41 -0.03 0.14 0.00 -1.46 0.00 0.00 42.92 41.16 2dir s ASP 69 CO 0.34 -0.10 0.96 0.18 0.52 0.00 0.00 175.17 177.06 2dir n LEU 70 N 1.50 2.14 -0.09 -1.34 4.77 -1.26 -3.80 117.00 118.92 2dir n LEU 70 Ca -0.21 -1.46 -0.16 0.00 -0.03 0.00 0.00 56.01 54.16 2dir n LEU 70 Cb 0.55 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 2dir n LEU 70 CO 0.21 0.49 -0.92 0.41 -1.33 0.00 0.00 177.39 176.25 2dir n THR 71 N 0.37 1.31 -2.77 -5.08 -1.04 -1.26 -4.80 114.28 101.01 2dir n THR 71 Ca 0.07 -0.08 -0.22 0.00 -2.04 0.00 0.00 64.05 61.78 2dir n THR 71 Cb 0.29 -1.97 -0.01 0.00 -1.82 0.00 0.00 70.33 66.81 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 -4.10 3.46 -4.77 8.00 4.13 -1.26 -5.09 115.26 115.63 2dir n ASN 72 Ca -0.28 -3.42 -0.38 0.00 1.68 0.00 0.00 54.58 52.17 2dir n ASN 72 Cb 0.62 -0.53 -0.02 0.00 -1.54 0.00 0.00 39.78 38.32 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 -3.27 3.97 -0.24 3.52 0.04 -1.26 -4.87 135.00 132.89 2dir s PRO 73 Ca 0.43 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.40 2dir s PRO 73 Cb 0.37 -2.62 -0.20 0.00 0.04 0.00 0.00 34.50 32.09 2dir s PRO 73 CO -0.12 -0.40 -0.12 1.04 0.04 0.00 0.00 177.00 177.45 2dir n GLN 74 N -0.06 0.66 -4.43 4.56 6.02 -1.16 -4.82 117.38 118.15 2dir n GLN 74 Ca 0.05 0.10 -0.28 0.00 -0.01 0.00 0.00 57.00 56.86 2dir n GLN 74 Cb 0.47 -1.53 -0.17 0.00 1.02 0.00 0.00 30.24 30.03 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 1.95 -0.42 1.08 2.02 -0.97 -2.04 117.35 116.46 2dir s TYR 75 Ca -0.26 -0.92 -0.16 0.00 -0.37 0.00 0.00 57.07 55.35 2dir s TYR 75 Cb 0.08 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.25 2dir s TYR 75 CO 0.68 -0.48 0.38 0.99 -1.57 0.00 0.00 175.55 175.55 2dir s THR 76 N 1.01 5.17 -0.53 -0.71 2.01 -0.44 -1.40 115.64 120.74 2dir s THR 76 Ca -0.06 -0.57 -0.15 0.00 0.31 0.00 0.00 61.69 61.22 2dir s THR 76 Cb -0.15 -4.01 0.12 0.00 0.01 0.00 0.00 72.50 68.48 2dir s THR 76 CO -0.02 -0.41 0.47 0.68 -0.69 0.00 0.00 174.62 174.66 2dir s VAL 77 N 1.90 5.08 -0.09 3.82 -7.23 -0.94 -1.57 120.40 121.37 2dir s VAL 77 Ca 0.08 -1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 2dir s VAL 77 Cb -0.19 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.47 2dir s VAL 77 CO 0.11 -0.83 0.14 0.68 -0.31 0.00 0.00 175.10 174.89 2dir s VAL 78 N 1.57 5.41 -0.37 1.32 -7.23 -0.57 -2.44 120.40 118.10 2dir s VAL 78 Ca 0.03 0.10 -0.01 0.00 -1.81 0.00 0.00 61.98 60.30 2dir s VAL 78 Cb -0.29 -3.39 0.10 0.00 0.56 0.00 0.00 36.38 33.36 2dir s VAL 78 CO 0.03 0.56 0.12 0.68 -0.31 0.00 0.00 175.10 176.18 2dir s VAL 79 N -1.08 2.93 0.10 1.32 -7.23 -0.58 -0.97 120.40 114.89 2dir s VAL 79 Ca 0.17 -2.02 -0.16 0.00 -1.81 0.00 0.00 61.98 58.16 2dir s VAL 79 Cb -0.12 -2.99 -0.07 0.00 0.56 0.00 0.00 36.38 33.76 2dir s VAL 79 CO 0.07 -0.56 0.54 -0.70 -0.31 0.00 0.00 175.10 174.14 2dir s GLU 80 N 1.09 4.06 -0.42 4.82 2.12 0.81 -1.82 118.70 129.37 2dir s GLU 80 Ca 0.07 0.59 -0.09 0.00 0.36 0.00 0.00 54.97 55.89 2dir s GLU 80 Cb -0.21 -3.09 0.07 0.00 0.26 0.00 0.00 34.13 31.16 2dir s GLU 80 CO -0.05 0.57 0.26 0.42 -0.54 0.00 0.00 175.26 175.92 2dir s ILE 81 N -1.27 4.25 -0.17 -3.70 -1.09 -0.82 -0.90 121.20 117.49 2dir s ILE 81 Ca 0.32 -1.37 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 2dir s ILE 81 Cb -0.17 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2dir s ILE 81 CO 0.18 -0.49 -0.14 -0.63 -1.23 0.00 0.00 174.94 172.63 2dir s ILE 82 N 1.43 1.68 -1.46 2.92 1.01 -1.08 -4.62 121.20 121.09 2dir s ILE 82 Ca 0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.76 2dir s ILE 82 Cb -0.23 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.68 2dir s ILE 82 CO 0.02 0.39 1.07 0.29 0.00 0.00 0.00 174.94 176.71 2dir n LYS 83 N 4.72 -6.62 -1.83 2.79 4.01 -1.26 -0.75 118.16 119.23 2dir n LYS 83 Ca -0.17 0.71 -0.14 0.00 -0.51 0.00 0.00 58.31 58.20 2dir n LYS 83 Cb 0.49 -5.67 -0.03 0.00 -0.51 0.00 0.00 35.03 29.30 2dir n LYS 83 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dir n ALA 84 N -4.81 -0.30 -2.70 7.82 0.00 -1.26 -5.00 120.51 114.26 2dir n ALA 84 Ca 0.03 0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.38 2dir n ALA 84 Cb 0.54 -1.56 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.59 3.85 -0.44 0.00 0.11 0.07 -5.10 120.40 116.30 2dir s VAL 85 Ca 0.00 -1.49 -0.12 0.00 -2.93 0.00 0.00 61.98 57.44 2dir s VAL 85 Cb 0.00 -2.99 0.08 0.00 -1.53 0.00 0.00 36.38 31.94 2dir s VAL 85 CO 0.00 -0.20 0.32 0.00 -3.33 0.00 0.00 175.10 171.89 2dir s LEU 88 N 1.63 4.25 -0.20 0.00 1.02 -1.26 -0.13 118.68 123.99 2dir s LEU 88 Ca 0.04 -0.31 -0.00 0.00 0.02 0.00 0.00 54.13 53.88 2dir s LEU 88 Cb -0.18 -2.10 0.02 0.00 0.02 0.00 0.00 46.19 43.95 2dir s LEU 88 CO 0.08 -0.16 -0.14 -0.55 0.02 0.00 0.00 176.35 175.60 2dir s SER 89 N 1.71 3.64 -0.12 2.29 0.15 -0.14 -4.97 113.70 116.26 2dir s SER 89 Ca 0.06 -0.66 -0.06 0.00 0.70 0.00 0.00 55.95 55.99 2dir s SER 89 Cb -0.17 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 2dir s SER 89 CO 0.10 -0.03 0.11 -0.69 1.20 0.00 0.00 173.24 173.93 2dir s VAL 90 N 1.33 5.27 -0.10 4.45 1.01 -1.25 -1.51 120.40 129.59 2dir s VAL 90 Ca 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 2dir s VAL 90 Cb -0.14 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2dir s VAL 90 CO -0.09 0.61 -0.06 -0.69 0.00 0.00 0.00 175.10 174.86 2dir s VAL 91 N -0.90 0.92 -0.38 2.92 1.01 -0.61 -4.93 120.40 118.42 2dir s VAL 91 Ca 0.14 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 2dir s VAL 91 Cb -0.12 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.32 2dir s VAL 91 CO 0.03 0.35 0.66 -0.75 0.00 0.00 0.00 175.10 175.40 2dir s LYS 92 N 1.70 3.59 -0.34 2.72 2.20 -1.26 -1.33 119.74 127.02 2dir s LYS 92 Ca 0.04 -0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2dir s LYS 92 Cb -0.13 -3.85 0.10 0.00 -1.51 0.00 0.00 37.83 32.45 2dir s LYS 92 CO -0.07 -0.83 0.10 0.45 -0.36 0.00 0.00 175.35 174.64 2dir s SER 93 N 1.86 4.20 0.41 1.43 0.15 -0.87 -5.05 113.70 115.83 2dir s SER 93 Ca 0.25 -1.93 -0.27 0.00 0.70 0.00 0.00 55.95 54.70 2dir s SER 93 Cb -0.14 -1.12 -0.10 0.00 -1.71 0.00 0.00 66.02 62.95 2dir s SER 93 CO 0.16 -0.38 1.44 0.61 1.20 0.00 0.00 173.24 176.27 2dir n GLY 94 N 4.49 1.04 0.19 9.45 0.00 -1.26 -4.64 105.19 114.45 2dir n GLY 94 Ca 0.01 0.25 0.14 0.00 0.00 0.00 0.00 46.02 46.42 2dir n GLY 94 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dir h PRO 95 N 2.59 0.00 0.00 1.61 0.13 -1.94 -3.36 132.00 131.03 2dir h PRO 95 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2dir h PRO 95 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 2dir h PRO 95 CO 0.62 0.00 -0.58 -1.13 -0.23 0.00 0.00 178.00 176.68 2dir n SER 96 N -2.57 0.61 -4.61 1.44 3.41 -1.26 -5.04 113.62 105.59 2dir n SER 96 Ca 0.01 0.08 -0.47 0.00 -0.26 0.00 0.00 58.87 58.23 2dir n SER 96 Cb 0.25 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.97 2dir n SER 96 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dir n SER 97 N -3.29 1.90 0.00 4.04 2.88 -1.26 -5.27 113.62 112.61 2dir n SER 97 Ca -0.02 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2dir n SER 97 Cb 0.28 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2dir n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42