#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 4.12 -0.01 1.61 0.01 -1.26 -5.05 113.70 113.12 2dir s SER 2 Ca 0.00 0.90 -0.14 0.00 1.31 0.00 0.00 55.95 58.02 2dir s SER 2 Cb 0.00 -1.46 -0.06 0.00 0.21 0.00 0.00 66.02 64.72 2dir s SER 2 CO 0.00 -2.16 0.39 -0.55 0.41 0.00 0.00 173.24 171.33 2dir s SER 3 N -4.30 6.78 0.00 2.44 0.15 -1.26 -5.01 113.70 112.51 2dir s SER 3 Ca 0.63 0.93 0.00 0.00 0.70 0.00 0.00 55.95 58.21 2dir s SER 3 Cb -0.13 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2dir s SER 3 CO 0.51 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.88 2dir n GLY 4 N 1.88 2.29 3.84 9.45 0.00 -1.26 -5.15 105.19 116.24 2dir n GLY 4 Ca -0.14 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 1.23 4.56 -0.24 1.61 1.04 -1.26 -5.06 113.70 115.58 2dir s SER 5 Ca 0.00 1.09 0.02 0.00 0.48 0.00 0.00 55.95 57.55 2dir s SER 5 Cb 0.00 -1.77 0.05 0.00 0.10 0.00 0.00 66.02 64.41 2dir s SER 5 CO 0.00 -1.90 -0.11 -0.94 0.98 0.00 0.00 173.24 171.27 2dir s SER 6 N -4.18 4.11 0.48 7.02 1.04 -1.26 -5.03 113.70 115.88 2dir s SER 6 Ca 0.61 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2dir s SER 6 Cb -0.13 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.55 2dir s SER 6 CO 0.52 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2dir n GLY 7 N 4.52 -4.31 2.94 7.32 0.00 -1.26 -5.02 105.19 109.38 2dir n GLY 7 Ca -0.14 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.34 0.20 0.48 1.61 2.20 -1.26 -5.01 119.74 113.62 2dir s LYS 8 Ca 0.00 0.58 0.43 0.00 -0.36 0.00 0.00 55.97 56.62 2dir s LYS 8 Cb 0.00 -0.40 1.50 0.00 -1.51 0.00 0.00 37.83 37.42 2dir s LYS 8 CO 0.00 -0.44 1.36 0.00 -0.36 0.00 0.00 175.35 175.92 2dir n ALA 9 N 5.35 1.63 -0.04 3.13 0.00 -1.26 0.15 120.51 129.47 2dir n ALA 9 Ca -0.06 0.59 -0.14 0.00 0.00 0.00 0.00 53.44 53.84 2dir n ALA 9 Cb 0.50 -0.99 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 0.03 0.12 0.00 3.04 -2.00 -3.19 116.94 114.95 2dir h PHE 10 Ca 0.82 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.75 2dir h PHE 10 Cb 3.24 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 41.75 2dir h PHE 10 CO -0.00 0.71 -0.06 -0.07 -2.02 0.00 0.00 178.31 176.87 2dir h LEU 11 N -0.65 -0.14 -1.31 0.59 3.38 0.10 -2.64 115.31 114.64 2dir h LEU 11 Ca -0.00 -0.42 0.45 0.00 0.09 0.00 0.00 57.88 58.00 2dir h LEU 11 Cb 0.71 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.35 2dir h LEU 11 CO 0.01 0.42 0.80 1.05 0.09 0.00 0.00 178.44 180.81 2dir h GLU 12 N -0.80 0.04 0.08 1.13 4.11 -0.53 0.19 114.58 118.80 2dir h GLU 12 Ca -0.02 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 2dir h GLU 12 Cb 0.55 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dir h GLU 12 CO 0.03 0.03 -0.04 0.22 0.07 0.00 0.00 179.01 179.32 2dir h ASP 13 N 0.04 -0.09 -0.41 3.06 3.58 -1.56 -3.30 116.42 117.75 2dir h ASP 13 Ca 0.85 -0.42 0.08 0.00 0.42 0.00 0.00 57.03 57.96 2dir h ASP 13 Cb 2.61 0.02 -0.09 0.00 1.72 0.00 0.00 39.33 43.59 2dir h ASP 13 CO -0.52 0.58 -0.31 -0.03 -2.88 0.00 0.00 179.24 176.08 2dir h MET 14 N -0.95 -0.23 -0.39 0.28 4.05 -0.37 -2.35 114.93 114.96 2dir h MET 14 Ca -0.01 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 2dir h MET 14 Cb 0.51 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.31 2dir h MET 14 CO 0.02 -0.15 -0.26 0.87 0.23 0.00 0.00 176.91 177.62 2dir h LYS 15 N -0.24 -0.03 -0.03 0.39 1.57 -1.03 0.21 116.57 117.41 2dir h LYS 15 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2dir h LYS 15 Cb 0.53 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2dir h LYS 15 CO -0.54 -0.02 -0.05 -0.22 -0.57 0.00 0.00 179.45 178.04 2dir h LYS 16 N -0.03 -0.04 -0.20 3.15 3.64 -1.53 0.01 116.57 121.56 2dir h LYS 16 Ca 0.06 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2dir h LYS 16 Cb 0.20 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2dir h LYS 16 CO -0.39 -0.03 -0.13 -0.92 -2.27 0.00 0.00 179.45 175.71 2dir h TYR 17 N -0.04 -0.42 -0.99 1.91 3.20 -1.02 0.21 116.97 119.82 2dir h TYR 17 Ca 0.01 0.03 0.27 0.00 3.14 0.00 0.00 58.73 62.17 2dir h TYR 17 Cb 0.06 0.21 -0.18 0.00 1.54 0.00 0.00 36.73 38.35 2dir h TYR 17 CO -0.56 -0.09 0.02 0.00 -1.64 0.00 0.00 178.16 175.89 2dir h ALA 18 N -0.73 1.15 -0.35 1.82 0.00 -0.43 0.53 119.26 121.25 2dir h ALA 18 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dir h ALA 18 Cb 0.10 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dir h ALA 18 CO -0.20 -0.56 0.00 -1.91 0.00 0.00 0.00 179.25 176.58 2dir n GLU 19 N -5.49 0.00 0.26 0.00 2.13 0.47 0.59 120.64 118.60 2dir n GLU 19 Ca 0.23 0.44 0.09 0.00 0.66 0.00 0.00 57.16 58.58 2dir n GLU 19 Cb 0.75 -1.37 0.47 0.00 0.27 0.00 0.00 31.44 31.56 2dir n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dir h THR 20 N 0.00 0.00 0.00 6.31 1.03 -0.18 1.00 112.91 121.07 2dir h THR 20 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.09 2dir h THR 20 Cb 0.00 0.38 -0.06 0.00 -1.07 0.00 0.00 68.15 67.41 2dir h THR 20 CO 0.00 0.00 -1.91 0.33 -0.01 0.00 0.00 175.52 173.93 2dir n PHE 21 N -2.44 0.71 0.48 0.00 7.35 0.18 -4.10 117.46 119.64 2dir n PHE 21 Ca -0.01 0.26 0.12 0.00 -0.76 0.00 0.00 57.45 57.05 2dir n PHE 21 Cb 0.48 -1.13 0.18 0.00 0.35 0.00 0.00 39.48 39.35 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 -2.96 3.33 0.00 -2.13 4.77 0.28 -4.54 117.00 115.75 2dir n LEU 22 Ca -0.22 -1.37 -0.12 0.00 -0.03 0.00 0.00 56.01 54.28 2dir n LEU 22 Cb 1.08 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.93 2dir n LEU 22 CO 0.44 0.68 0.59 -0.33 -1.33 0.00 0.00 177.39 177.44 2dir h GLU 23 N 4.50 -0.48 0.00 3.23 5.08 0.15 1.35 114.58 128.40 2dir h GLU 23 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2dir h GLU 23 Cb 0.98 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2dir h GLU 23 CO 0.00 -0.32 0.00 -0.35 -1.00 0.00 0.00 179.01 177.34 2dir n PRO 24 N -5.44 0.16 -0.02 2.33 -0.04 -1.26 0.33 135.00 131.07 2dir n PRO 24 Ca -0.04 0.17 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 2dir n PRO 24 Cb 0.36 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.40 -4.61 117.44 120.45 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 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 29.00 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 -2.15 0.00 -2.56 -5.99 3.72 0.43 -4.42 117.46 106.50 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 0.53 0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.64 4.60 0.90 -1.08 2.20 1.01 -3.99 119.74 121.75 2dir s LYS 27 Ca 0.00 1.65 -0.17 0.00 -0.36 0.00 0.00 55.97 57.10 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 0.07 -0.52 0.00 -0.36 0.00 0.00 175.35 174.54 2dir n ALA 28 N 2.68 -4.65 0.87 3.13 0.00 -1.26 -2.30 120.51 118.97 2dir n ALA 28 Ca 0.03 -0.56 0.08 0.00 0.00 0.00 0.00 53.44 52.99 2dir n ALA 28 Cb 0.47 -1.28 0.43 0.00 0.00 0.00 0.00 19.45 19.07 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 1.76 0.38 -2.79 0.00 -0.04 -1.26 -4.82 135.00 128.23 2dir n PRO 29 Ca 0.01 0.06 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2dir n PRO 29 Cb 0.54 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 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 6.91 -0.05 3.54 0.01 -0.98 -5.06 114.94 117.10 2dir s ASN 30 Ca 0.20 1.67 -0.31 0.00 -0.71 0.00 0.00 52.86 53.71 2dir s ASN 30 Cb 0.10 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.35 2dir s ASN 30 CO 0.20 -0.38 1.19 -1.59 -1.51 0.00 0.00 177.10 175.01 2dir s LYS 31 N -3.25 0.51 0.00 -0.60 -2.85 -1.26 -3.85 119.74 108.45 2dir s LYS 31 Ca 0.62 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 55.33 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 0.14 -0.23 0.00 0.41 0.10 0.00 0.00 175.35 175.77 2dir n GLY 32 N -0.34 0.45 3.92 0.59 0.00 -1.26 -4.99 105.19 103.55 2dir n GLY 32 Ca -0.05 -1.52 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.37 2.66 0.13 2.61 -4.23 -1.26 -1.33 115.64 110.85 2dir s THR 33 Ca 0.00 -1.25 -0.25 0.00 -1.18 0.00 0.00 61.69 59.00 2dir s THR 33 Cb 0.00 -2.92 0.07 0.00 1.34 0.00 0.00 72.50 70.99 2dir s THR 33 CO 0.00 0.00 0.91 0.72 -0.54 0.00 0.00 174.62 175.71 2dir s PHE 34 N -2.47 -0.19 -0.14 3.99 -0.71 -1.24 -2.03 117.98 115.19 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 0.62 0.05 0.00 -1.21 0.00 0.00 43.02 42.43 2dir s PHE 34 CO 0.29 -0.81 0.04 1.14 -1.34 0.00 0.00 175.22 174.55 2dir s GLN 35 N -3.32 0.43 0.23 1.99 -2.07 0.12 -0.05 119.66 116.98 2dir s GLN 35 Ca 0.10 -0.13 -0.22 0.00 -1.82 0.00 0.00 55.36 53.30 2dir s GLN 35 Cb -0.02 -1.60 -0.08 0.00 -1.09 0.00 0.00 33.01 30.21 2dir s GLN 35 CO -0.00 -0.53 0.77 0.42 -1.32 0.00 0.00 175.29 174.63 2dir s ILE 36 N 1.99 4.47 -0.07 3.63 1.01 -1.26 -1.89 121.20 129.07 2dir s ILE 36 Ca 0.02 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.11 2dir s ILE 36 Cb -0.15 -3.94 0.04 0.00 0.01 0.00 0.00 42.46 38.42 2dir s ILE 36 CO -0.07 0.26 0.05 -0.69 0.00 0.00 0.00 174.94 174.48 2dir s VAL 37 N -1.47 0.04 -0.62 2.92 1.01 -0.95 -4.97 120.40 116.36 2dir s VAL 37 Ca 0.43 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.39 2dir s VAL 37 Cb -0.18 -0.35 0.05 0.00 0.00 0.00 0.00 36.38 35.90 2dir s VAL 37 CO 0.22 0.11 0.99 -0.47 0.00 0.00 0.00 175.10 175.96 2dir s TYR 38 N 2.10 2.68 -0.23 5.22 5.04 -1.26 -1.37 117.35 129.54 2dir s TYR 38 Ca 0.04 -0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.37 2dir s TYR 38 Cb -0.13 -4.23 -0.04 0.00 0.35 0.00 0.00 41.96 37.91 2dir s TYR 38 CO -0.05 -1.56 0.09 0.15 -1.34 0.00 0.00 175.55 172.84 2dir s LYS 39 N 4.21 3.84 0.02 4.97 1.02 -0.71 -4.99 119.74 128.09 2dir s LYS 39 Ca 0.28 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 2dir s LYS 39 Cb -0.14 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2dir s LYS 39 CO 0.15 0.00 -0.02 -1.54 -0.92 0.00 0.00 175.35 173.03 2dir s SER 40 N 1.12 0.24 0.00 2.83 1.04 -1.26 -3.21 113.70 114.46 2dir s SER 40 Ca 0.05 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2dir s SER 40 Cb -0.14 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2dir s SER 40 CO 0.04 -0.32 0.00 0.54 0.98 0.00 0.00 173.24 174.47 2dir n ARG 41 N 1.51 0.00 -3.40 4.02 3.00 -1.26 -5.07 116.66 115.46 2dir n ARG 41 Ca -0.23 0.00 -0.33 0.00 -0.01 0.00 0.00 57.85 57.27 2dir n ARG 41 Cb 0.55 -0.77 -0.06 0.00 0.00 0.00 0.00 32.46 32.19 2dir n ARG 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2dir s ASN 42 N -3.73 6.71 -0.16 0.55 4.22 -1.26 -4.99 114.94 116.28 2dir s ASN 42 Ca 0.00 0.98 -0.41 0.00 -2.14 0.00 0.00 52.86 51.29 2dir s ASN 42 Cb 0.00 -2.25 -0.18 0.00 1.28 0.00 0.00 41.25 40.10 2dir s ASN 42 CO 0.00 0.01 1.42 -0.46 -2.04 0.00 0.00 177.10 176.03 2dir n ASN 43 N 0.31 1.24 -4.50 3.54 0.23 -1.26 -4.95 115.26 109.88 2dir n ASN 43 Ca -0.02 1.14 -0.29 0.00 -0.53 0.00 0.00 54.58 54.87 2dir n ASN 43 Cb 0.52 -1.03 -0.11 0.00 -2.08 0.00 0.00 39.78 37.08 2dir n ASN 43 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2dir s SER 44 N 1.66 3.96 -0.15 0.53 1.04 -1.26 -5.06 113.70 114.42 2dir s SER 44 Ca 0.94 -0.56 -0.10 0.00 0.48 0.00 0.00 55.95 56.71 2dir s SER 44 Cb -1.20 -0.58 -0.07 0.00 0.10 0.00 0.00 66.02 64.27 2dir s SER 44 CO 0.63 0.17 -0.24 0.00 0.98 0.00 0.00 173.24 174.77 2dir n HIS 45 N 0.68 0.00 -1.68 5.02 1.44 -1.26 -4.98 115.22 114.44 2dir n HIS 45 Ca -0.15 0.00 -0.45 0.00 -2.01 0.00 0.00 57.72 55.11 2dir n HIS 45 Cb 0.53 -0.55 -0.04 0.00 0.12 0.00 0.00 29.99 30.05 2dir n HIS 45 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 2dir n VAL 46 N -3.94 0.07 -1.55 0.61 3.14 -1.26 -4.82 118.33 110.58 2dir n VAL 46 Ca -0.27 -0.01 -0.40 0.00 -2.96 0.00 0.00 64.34 60.69 2dir n VAL 46 Cb 0.62 -1.66 -0.04 0.00 -1.06 0.00 0.00 33.84 31.70 2dir n VAL 46 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2dir n ASN 47 N 3.89 2.45 -0.38 6.55 3.02 -1.26 -4.79 115.26 124.73 2dir n ASN 47 Ca 0.17 -0.14 0.31 0.00 -0.03 0.00 0.00 54.58 54.89 2dir n ASN 47 Cb 0.30 -1.50 0.58 0.00 -0.61 0.00 0.00 39.78 38.55 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 16.91 0.16 -0.52 3.52 -0.00 -1.98 0.38 114.38 132.86 2dir h ARG 48 Ca -0.28 -0.01 0.10 0.00 -0.00 0.00 0.00 59.98 59.79 2dir h ARG 48 Cb 1.27 -0.04 -0.09 0.00 -0.00 0.00 0.00 29.97 31.12 2dir h ARG 48 CO 1.10 0.10 -0.00 1.05 -0.00 0.00 0.00 179.97 182.22 2dir h GLU 49 N 0.16 0.11 -0.72 0.08 4.11 -1.99 0.10 114.58 116.44 2dir h GLU 49 Ca 0.78 -0.01 0.09 0.00 0.07 0.00 0.00 59.36 60.30 2dir h GLU 49 Cb 2.18 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 31.36 2dir h GLU 49 CO -0.52 0.07 0.47 0.93 0.07 0.00 0.00 179.01 180.03 2dir h GLU 50 N 0.12 0.60 0.14 1.06 3.07 -0.61 0.26 114.58 119.20 2dir h GLU 50 Ca 0.26 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 2dir h GLU 50 Cb 0.40 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 2dir h GLU 50 CO -0.43 0.39 -0.07 0.28 -1.40 0.00 0.00 179.01 177.79 2dir h VAL 51 N 0.61 1.02 0.53 3.13 2.07 -0.83 -2.42 116.25 120.37 2dir h VAL 51 Ca 0.33 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2dir h VAL 51 Cb 0.47 1.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2dir h VAL 51 CO -0.11 0.23 -0.26 0.40 0.02 0.00 0.00 177.57 177.85 2dir h ILE 52 N -0.71 0.00 -0.89 4.57 2.04 -0.71 0.09 117.51 121.91 2dir h ILE 52 Ca -0.02 -0.13 0.24 0.00 1.00 0.00 0.00 64.86 65.95 2dir h ILE 52 Cb 0.52 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.45 2dir h ILE 52 CO 0.03 0.00 0.16 0.03 0.00 0.00 0.00 178.15 178.38 2dir h ARG 53 N -0.84 0.14 0.62 2.37 2.47 -0.66 -1.63 114.38 116.85 2dir h ARG 53 Ca -0.07 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.61 2dir h ARG 53 Cb 0.55 -0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2dir h ARG 53 CO 0.12 0.09 -0.30 1.49 0.56 0.00 0.00 179.97 181.93 2dir h GLU 54 N 0.14 -0.81 -0.85 0.04 4.57 -1.40 -2.34 114.58 113.94 2dir h GLU 54 Ca 0.55 0.06 0.25 0.00 -1.18 0.00 0.00 59.36 59.04 2dir h GLU 54 Cb 1.12 0.18 -0.16 0.00 -0.16 0.00 0.00 28.75 29.74 2dir h GLU 54 CO -0.72 -0.54 0.08 1.28 -1.18 0.00 0.00 179.01 177.93 2dir n LEU 55 N -4.77 -0.05 -0.10 1.64 4.77 0.01 0.15 117.00 118.66 2dir n LEU 55 Ca -0.10 1.43 -0.11 0.00 -0.03 0.00 0.00 56.01 57.20 2dir n LEU 55 Cb 0.33 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2dir n LEU 55 CO 0.25 -1.47 0.81 0.00 -1.33 0.00 0.00 177.39 175.64 2dir h ALA 56 N 1.69 0.41 -0.34 -1.18 0.00 -1.29 -2.67 119.26 115.88 2dir h ALA 56 Ca 0.54 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2dir h ALA 56 Cb 1.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dir h ALA 56 CO -0.78 0.11 0.31 0.78 0.00 0.00 0.00 179.25 179.68 2dir h GLY 57 N 0.34 0.00 0.57 0.00 0.00 0.20 -1.75 103.07 102.42 2dir h GLY 57 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 2dir h GLY 57 CO 0.01 0.00 -0.56 -2.22 0.00 0.00 0.00 176.54 173.77 2dir h ILE 58 N 0.00 1.54 -0.66 2.60 2.04 -1.01 -3.22 117.51 118.80 2dir h ILE 58 Ca 0.16 -2.32 0.13 0.00 1.00 0.00 0.00 64.86 63.84 2dir h ILE 58 Cb 0.79 3.04 -0.12 0.00 -0.74 0.00 0.00 36.82 39.78 2dir h ILE 58 CO -0.00 0.65 -0.14 0.58 0.00 0.00 0.00 178.15 179.23 2dir h VAL 59 N -0.43 0.35 -0.95 1.67 2.07 -1.03 0.17 116.25 118.10 2dir h VAL 59 Ca -0.09 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2dir h VAL 59 Cb 1.38 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 2dir h VAL 59 CO 0.11 0.00 0.62 0.00 0.02 0.00 0.00 177.57 178.32 2dir h THR 61 N 1.30 0.80 0.15 0.00 2.02 -0.68 -3.00 112.91 113.50 2dir h THR 61 Ca 0.35 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2dir h THR 61 Cb -0.13 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.26 2dir h THR 61 CO -0.07 0.14 -0.07 -0.07 0.37 0.00 0.00 175.52 175.81 2dir h LEU 62 N 0.75 -0.17 -7.83 2.58 3.38 -1.01 -3.43 115.31 109.58 2dir h LEU 62 Ca 0.47 0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.87 2dir h LEU 62 Cb 0.59 0.04 -0.36 0.00 0.09 0.00 0.00 40.66 41.03 2dir h LEU 62 CO -0.32 -0.12 -0.82 0.21 0.09 0.00 0.00 178.44 177.48 2dir s ASN 63 N -2.33 2.50 0.57 -0.43 3.84 -1.14 -4.69 114.94 113.26 2dir s ASN 63 Ca -0.03 -0.42 0.27 0.00 0.21 0.00 0.00 52.86 52.89 2dir s ASN 63 Cb 0.00 -1.06 1.50 0.00 -0.55 0.00 0.00 41.25 41.15 2dir s ASN 63 CO 0.09 -0.08 2.00 0.28 -2.79 0.00 0.00 177.10 176.60 2dir h SER 64 N 8.08 0.00 0.59 -4.21 0.02 -1.83 0.35 113.55 116.54 2dir h SER 64 Ca -0.35 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2dir h SER 64 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dir h SER 64 CO 0.49 0.00 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.75 2dir h GLU 65 N 0.00 0.00 -6.66 3.45 4.39 -1.94 -3.43 114.58 110.39 2dir h GLU 65 Ca 0.19 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.36 2dir h GLU 65 Cb 0.91 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.60 2dir h GLU 65 CO -0.00 0.09 0.78 -0.80 -1.16 0.00 0.00 179.01 177.92 2dir s ASN 66 N -5.91 6.70 -0.23 1.42 0.01 0.12 -4.31 114.94 112.74 2dir s ASN 66 Ca -0.01 2.55 -0.03 0.00 -0.71 0.00 0.00 52.86 54.66 2dir s ASN 66 Cb 0.11 -2.61 0.11 0.00 0.41 0.00 0.00 41.25 39.28 2dir s ASN 66 CO 0.56 -0.71 0.25 -0.54 -1.51 0.00 0.00 177.10 175.16 2dir s LYS 67 N 0.41 0.24 -0.01 -0.60 1.02 -0.44 -4.69 119.74 115.66 2dir s LYS 67 Ca 0.63 0.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.46 2dir s LYS 67 Cb -0.41 -1.00 -0.07 0.00 -0.52 0.00 0.00 37.83 35.84 2dir s LYS 67 CO 0.36 -0.75 1.75 0.54 -0.92 0.00 0.00 175.35 176.33 2dir s VAL 68 N 2.35 3.32 0.09 3.17 0.11 -1.26 -3.59 120.40 124.58 2dir s VAL 68 Ca 0.08 0.46 0.07 0.00 -2.93 0.00 0.00 61.98 59.66 2dir s VAL 68 Cb -0.15 -3.29 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 2dir s VAL 68 CO -0.18 -0.03 -0.19 -0.62 -3.33 0.00 0.00 175.10 170.74 2dir s ASP 69 N 3.54 2.30 0.00 3.54 2.15 0.92 -4.84 116.67 124.29 2dir s ASP 69 Ca 0.78 -0.65 0.08 0.00 0.43 0.00 0.00 52.55 53.20 2dir s ASP 69 Cb -0.37 -0.12 0.11 0.00 -0.30 0.00 0.00 42.92 42.24 2dir s ASP 69 CO 0.34 0.04 0.89 0.18 -0.17 0.00 0.00 175.17 176.44 2dir n LEU 70 N 1.23 1.98 -0.11 -1.34 4.77 -1.26 -3.81 117.00 118.46 2dir n LEU 70 Ca -0.20 -1.29 -0.24 0.00 -0.03 0.00 0.00 56.01 54.26 2dir n LEU 70 Cb 0.54 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2dir n LEU 70 CO 0.22 0.43 -1.25 0.41 -1.33 0.00 0.00 177.39 175.87 2dir n THR 71 N 0.40 1.25 -2.92 -5.08 -1.04 -1.26 -4.80 114.28 100.84 2dir n THR 71 Ca 0.06 -0.30 -0.20 0.00 -2.04 0.00 0.00 64.05 61.57 2dir n THR 71 Cb 0.26 -1.82 -0.02 0.00 -1.82 0.00 0.00 70.33 66.93 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 -4.03 2.48 -4.77 8.00 3.02 -1.26 -5.10 115.26 113.60 2dir n ASN 72 Ca -0.44 -3.23 -0.39 0.00 -0.03 0.00 0.00 54.58 50.50 2dir n ASN 72 Cb 0.80 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 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 -3.01 4.08 -0.20 3.52 0.04 -1.26 -4.86 135.00 133.32 2dir s PRO 73 Ca 0.41 1.90 0.11 0.00 0.04 0.00 0.00 61.00 63.46 2dir s PRO 73 Cb 0.36 -2.73 -0.22 0.00 0.04 0.00 0.00 34.50 31.95 2dir s PRO 73 CO -0.09 -0.31 0.06 1.04 0.04 0.00 0.00 177.00 177.74 2dir n GLN 74 N 0.17 0.68 -4.17 4.56 1.13 -1.13 -4.80 117.38 113.81 2dir n GLN 74 Ca 0.04 0.09 -0.28 0.00 -1.94 0.00 0.00 57.00 54.90 2dir n GLN 74 Cb 0.46 -1.56 -0.17 0.00 0.11 0.00 0.00 30.24 29.08 2dir n GLN 74 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2dir s TYR 75 N -2.51 1.87 -0.45 1.08 2.02 -0.86 -2.36 117.35 116.14 2dir s TYR 75 Ca -0.18 -0.95 -0.17 0.00 -0.37 0.00 0.00 57.07 55.40 2dir s TYR 75 Cb 0.07 -1.41 0.04 0.00 -0.40 0.00 0.00 41.96 40.27 2dir s TYR 75 CO 0.76 -0.54 0.45 0.99 -1.57 0.00 0.00 175.55 175.64 2dir s THR 76 N 1.32 5.09 -0.51 -0.71 2.01 -0.32 -0.71 115.64 121.81 2dir s THR 76 Ca -0.00 -0.57 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 2dir s THR 76 Cb -0.14 -4.10 0.12 0.00 0.01 0.00 0.00 72.50 68.39 2dir s THR 76 CO -0.06 -0.53 0.45 0.68 -0.69 0.00 0.00 174.62 174.47 2dir s VAL 77 N 2.08 4.99 -0.10 3.82 -7.23 -0.79 -1.17 120.40 122.00 2dir s VAL 77 Ca 0.10 -1.50 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 2dir s VAL 77 Cb -0.19 -4.18 -0.04 0.00 0.56 0.00 0.00 36.38 32.52 2dir s VAL 77 CO 0.11 -0.80 0.20 0.68 -0.31 0.00 0.00 175.10 174.98 2dir s VAL 78 N 1.55 5.40 -0.33 1.32 -7.23 -0.41 -2.25 120.40 118.45 2dir s VAL 78 Ca 0.04 0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 60.54 2dir s VAL 78 Cb -0.28 -3.48 0.06 0.00 0.56 0.00 0.00 36.38 33.25 2dir s VAL 78 CO 0.03 0.59 0.05 0.68 -0.31 0.00 0.00 175.10 176.14 2dir s VAL 79 N -0.91 3.05 -0.19 1.32 -7.23 -0.47 -0.56 120.40 115.40 2dir s VAL 79 Ca 0.16 -1.57 -0.06 0.00 -1.81 0.00 0.00 61.98 58.71 2dir s VAL 79 Cb -0.13 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 2dir s VAL 79 CO 0.06 -0.26 0.02 -0.70 -0.31 0.00 0.00 175.10 173.90 2dir s GLU 80 N 1.22 3.72 -0.51 4.82 2.12 0.00 -1.75 118.70 128.32 2dir s GLU 80 Ca -0.01 -0.47 -0.28 0.00 0.36 0.00 0.00 54.97 54.56 2dir s GLU 80 Cb -0.20 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.10 2dir s GLU 80 CO -0.02 0.10 1.39 0.42 -0.54 0.00 0.00 175.26 176.61 2dir s ILE 81 N 0.78 3.86 -0.56 -3.70 -1.09 -1.20 -0.41 121.20 118.88 2dir s ILE 81 Ca 0.01 0.79 -0.01 0.00 -2.23 0.00 0.00 60.65 59.21 2dir s ILE 81 Cb -0.14 -4.39 0.15 0.00 -1.58 0.00 0.00 42.46 36.50 2dir s ILE 81 CO 0.02 -1.04 0.36 -0.63 -1.23 0.00 0.00 174.94 172.42 2dir s ILE 82 N 5.73 3.35 -0.79 2.92 -1.09 -0.37 -4.70 121.20 126.26 2dir s ILE 82 Ca 0.54 -2.90 -0.02 0.00 -2.23 0.00 0.00 60.65 56.04 2dir s ILE 82 Cb -0.11 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 2dir s ILE 82 CO 0.28 -0.83 0.67 0.29 -1.23 0.00 0.00 174.94 174.13 2dir n LYS 83 N 3.57 -4.50 -2.79 2.79 5.02 -1.26 -3.18 118.16 117.81 2dir n LYS 83 Ca 0.06 0.53 -0.12 0.00 -2.02 0.00 0.00 58.31 56.75 2dir n LYS 83 Cb 0.37 -4.61 0.03 0.00 -0.02 0.00 0.00 35.03 30.80 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 -3.42 -0.57 -3.66 7.82 0.00 -1.26 -5.03 120.51 114.39 2dir n ALA 84 Ca -0.10 0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.33 2dir n ALA 84 Cb 0.58 -2.57 -0.16 0.00 0.00 0.00 0.00 19.45 17.29 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 -2.96 0.35 -0.71 0.00 0.11 -1.19 -5.09 120.40 110.90 2dir s VAL 85 Ca 0.21 -0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.97 2dir s VAL 85 Cb -0.09 -0.41 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 2dir s VAL 85 CO 0.26 0.18 1.62 0.00 -3.33 0.00 0.00 175.10 173.83 2dir s LEU 88 N 4.93 4.09 -0.18 0.00 1.02 -1.26 -0.82 118.68 126.47 2dir s LEU 88 Ca 0.33 0.71 0.01 0.00 0.02 0.00 0.00 54.13 55.20 2dir s LEU 88 Cb -0.09 -2.99 0.02 0.00 0.02 0.00 0.00 46.19 43.15 2dir s LEU 88 CO 0.08 -0.51 -0.18 -0.44 0.02 0.00 0.00 176.35 175.33 2dir s SER 89 N 1.53 3.12 -0.21 2.29 0.01 0.27 -4.95 113.70 115.76 2dir s SER 89 Ca 0.30 -0.67 -0.12 0.00 1.31 0.00 0.00 55.95 56.77 2dir s SER 89 Cb -0.15 -1.41 -0.05 0.00 0.21 0.00 0.00 66.02 64.62 2dir s SER 89 CO 0.10 -0.03 0.21 -0.69 0.41 0.00 0.00 173.24 173.24 2dir s VAL 90 N 1.32 5.34 -0.19 3.43 1.01 -1.26 -1.29 120.40 128.78 2dir s VAL 90 Ca 0.04 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 2dir s VAL 90 Cb -0.13 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.74 2dir s VAL 90 CO -0.12 0.37 -0.06 -0.69 0.00 0.00 0.00 175.10 174.60 2dir s VAL 91 N 0.74 1.26 -0.40 2.92 1.01 -0.32 -4.93 120.40 120.69 2dir s VAL 91 Ca 0.11 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 2dir s VAL 91 Cb -0.13 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.82 2dir s VAL 91 CO 0.03 0.08 1.02 -0.75 0.00 0.00 0.00 175.10 175.48 2dir s LYS 92 N 1.56 3.83 -0.15 2.72 2.20 -1.26 -1.18 119.74 127.45 2dir s LYS 92 Ca -0.01 0.65 -0.00 0.00 -0.36 0.00 0.00 55.97 56.24 2dir s LYS 92 Cb -0.16 -3.83 0.04 0.00 -1.51 0.00 0.00 37.83 32.37 2dir s LYS 92 CO -0.08 -1.08 -0.06 0.45 -0.36 0.00 0.00 175.35 174.23 2dir s SER 93 N 2.02 2.68 0.00 1.43 0.15 -0.99 -5.01 113.70 113.98 2dir s SER 93 Ca 0.42 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2dir s SER 93 Cb -0.11 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 2dir s SER 93 CO 0.22 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dir n GLY 94 N 4.89 2.51 0.19 9.45 0.00 -1.26 -4.56 105.19 116.40 2dir n GLY 94 Ca -0.12 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 0.00 -6.09 1.61 0.13 -1.98 -3.43 132.00 122.24 2dir h PRO 95 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2dir h PRO 95 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2dir h PRO 95 CO 0.00 0.00 0.21 0.45 -0.23 0.00 0.00 178.00 178.43 2dir s SER 96 N -4.78 7.06 0.19 1.44 0.15 -1.26 -5.05 113.70 111.45 2dir s SER 96 Ca 0.03 1.28 -0.05 0.00 0.70 0.00 0.00 55.95 57.91 2dir s SER 96 Cb 0.09 -2.45 -0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2dir s SER 96 CO 0.44 -0.21 0.44 -0.44 1.20 0.00 0.00 173.24 174.67 2dir s SER 97 N 0.93 6.49 0.00 5.45 0.01 -1.26 -5.05 113.70 120.27 2dir s SER 97 Ca 0.41 0.64 0.28 0.00 1.31 0.00 0.00 55.95 58.58 2dir s SER 97 Cb -0.18 -2.11 1.09 0.00 0.21 0.00 0.00 66.02 65.03 2dir s SER 97 CO 0.19 -0.03 1.77 0.61 0.41 0.00 0.00 173.24 176.19