#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsc n LEU 11 N 0.00 0.00 0.03 0.00 7.94 -1.26 -0.43 117.00 123.28 2jsc n LEU 11 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 2jsc n LEU 11 Cb 0.00 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 2jsc n LEU 11 CO 0.00 0.00 0.29 0.00 -1.11 0.00 0.00 177.39 176.57 2jsc h ALA 12 N 0.00 0.45 -0.26 1.96 0.00 -2.03 -1.82 119.26 117.56 2jsc h ALA 12 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 54.30 2jsc h ALA 12 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2jsc h ALA 12 CO 0.00 0.74 0.11 -0.09 0.00 0.00 0.00 179.25 180.02 2jsc h ARG 13 N 0.36 0.24 0.08 0.00 2.43 -1.73 -2.13 114.38 113.62 2jsc h ARG 13 Ca -0.05 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 2jsc h ARG 13 Cb 1.40 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2jsc h ARG 13 CO 0.15 0.16 -0.09 1.25 -1.51 0.00 0.00 179.97 179.93 2jsc h LEU 14 N 0.25 -0.24 -1.12 3.80 7.12 -0.47 0.12 115.31 124.77 2jsc h LEU 14 Ca 0.11 0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.19 2jsc h LEU 14 Cb 0.05 0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.21 2jsc h LEU 14 CO -0.09 -0.14 0.60 1.23 -0.13 0.00 0.00 178.44 179.92 2jsc h GLY 15 N -0.19 1.33 -0.99 3.75 0.00 -1.33 -0.50 103.07 105.14 2jsc h GLY 15 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2jsc h GLY 15 CO -0.04 0.36 0.00 -2.13 0.00 0.00 0.00 176.54 174.73 2jsc n ARG 16 N -4.46 1.63 0.00 4.80 0.63 -0.80 -1.59 116.66 116.86 2jsc n ARG 16 Ca 0.13 -0.96 0.01 0.00 -0.92 0.00 0.00 57.85 56.11 2jsc n ARG 16 Cb 0.14 -1.21 0.00 0.00 0.45 0.00 0.00 32.46 31.84 2jsc n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jsc n ALA 17 N 0.28 2.44 -0.09 5.13 0.00 0.38 -4.65 120.51 124.00 2jsc n ALA 17 Ca 0.09 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 2jsc n ALA 17 Cb 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 2jsc n ALA 17 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jsc n LEU 18 N -0.16 1.87 -4.57 0.00 4.32 -0.43 -4.77 117.00 113.26 2jsc n LEU 18 Ca 0.01 -0.07 -0.35 0.00 -0.02 0.00 0.00 56.01 55.58 2jsc n LEU 18 Cb 0.06 -0.28 -0.03 0.00 -1.62 0.00 0.00 43.42 41.54 2jsc n LEU 18 CO 0.02 0.66 1.55 0.00 -1.22 0.00 0.00 177.39 178.40 2jsc s ALA 19 N -2.38 2.40 0.13 -1.18 0.00 -0.62 -4.81 121.76 115.29 2jsc s ALA 19 Ca -0.19 -2.18 0.05 0.00 0.00 0.00 0.00 51.96 49.64 2jsc s ALA 19 Cb 0.06 -4.59 -0.04 0.00 0.00 0.00 0.00 23.12 18.55 2jsc s ALA 19 CO 0.51 -4.16 -0.12 -0.51 0.00 0.00 0.00 175.76 171.48 2jsc s ASP 20 N 5.91 1.84 0.00 0.00 1.11 -1.26 -4.78 116.67 119.48 2jsc s ASP 20 Ca 0.58 -0.87 0.00 0.00 0.18 0.00 0.00 52.55 52.44 2jsc s ASP 20 Cb -0.01 -0.04 0.00 0.00 1.07 0.00 0.00 42.92 43.94 2jsc s ASP 20 CO 0.00 -0.22 0.00 -0.81 1.18 0.00 0.00 175.17 175.33 2jsc n PRO 21 N 0.33 0.00 0.25 8.23 -0.04 -1.26 -3.72 135.00 138.79 2jsc n PRO 21 Ca -0.14 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.47 2jsc n PRO 21 Cb 0.58 0.00 0.80 0.00 -0.04 0.00 0.00 33.50 34.84 2jsc n PRO 21 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jsc h THR 22 N 0.00 0.00 0.00 0.52 2.02 -2.02 0.82 112.91 114.25 2jsc h THR 22 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jsc h THR 22 Cb 0.00 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2jsc h THR 22 CO 0.00 0.00 0.00 -0.09 0.37 0.00 0.00 175.52 175.80 2jsc h ARG 23 N 0.00 0.00 0.00 6.66 2.43 -1.98 -1.88 114.38 119.61 2jsc h ARG 23 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 2jsc h ARG 23 Cb 0.20 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 2jsc h ARG 23 CO 0.00 0.00 -1.33 0.00 -1.51 0.00 0.00 179.97 177.13 2jsc h ARG 25 N 0.00 0.68 -0.31 0.00 -0.00 -1.23 -0.62 114.38 112.90 2jsc h ARG 25 Ca -0.15 -0.04 0.07 0.00 -0.50 0.00 0.00 59.98 59.36 2jsc h ARG 25 Cb 1.85 -0.15 -0.07 0.00 0.00 0.00 0.00 29.97 31.59 2jsc h ARG 25 CO 0.10 0.45 -0.15 0.82 0.00 0.00 0.00 179.97 181.18 2jsc h ILE 26 N 0.70 0.53 -0.69 2.04 1.08 -1.44 -0.21 117.51 119.52 2jsc h ILE 26 Ca 0.36 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.80 2jsc h ILE 26 Cb 0.34 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2jsc h ILE 26 CO -0.25 0.00 0.28 -0.07 -0.69 0.00 0.00 178.15 177.42 2jsc h LEU 27 N -0.11 0.94 -0.09 1.44 3.38 -1.26 -1.59 115.31 118.02 2jsc h LEU 27 Ca 0.16 -0.13 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2jsc h LEU 27 Cb 0.35 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2jsc h LEU 27 CO -0.38 0.83 -0.85 1.62 0.09 0.00 0.00 178.44 179.75 2jsc h VAL 28 N 1.00 1.49 0.00 1.22 3.04 -1.00 -3.02 116.25 118.98 2jsc h VAL 28 Ca 0.23 -3.02 0.00 0.00 -1.01 0.00 0.00 66.70 62.91 2jsc h VAL 28 Cb 0.19 2.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 2jsc h VAL 28 CO -0.02 0.83 0.00 0.00 -1.01 0.00 0.00 177.57 177.37 2jsc n ALA 29 N -2.33 2.48 -0.08 3.17 0.00 -0.11 -2.78 120.51 120.87 2jsc n ALA 29 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 2jsc n ALA 29 Cb 0.86 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 2jsc n ALA 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jsc h LEU 30 N 0.00 0.00 -0.40 0.00 7.12 -1.16 -3.32 115.31 117.56 2jsc h LEU 30 Ca 0.00 -0.62 0.08 0.00 0.13 0.00 0.00 57.88 57.47 2jsc h LEU 30 Cb 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.04 2jsc h LEU 30 CO 0.00 1.04 -0.24 0.25 -0.13 0.00 0.00 178.44 179.36 2jsc h LEU 31 N -1.00 -0.82 -3.40 2.25 6.46 -1.55 0.15 115.31 117.40 2jsc h LEU 31 Ca -0.10 0.17 -0.34 0.00 -0.12 0.00 0.00 57.88 57.49 2jsc h LEU 31 Cb 0.89 0.41 -0.16 0.00 -0.73 0.00 0.00 40.66 41.07 2jsc h LEU 31 CO -0.06 -0.27 0.44 -0.67 -0.62 0.00 0.00 178.44 177.27 2jsc n ASP 32 N -5.40 5.66 0.00 1.25 2.03 -1.13 -4.64 116.55 114.32 2jsc n ASP 32 Ca 0.02 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.26 2jsc n ASP 32 Cb 0.31 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2jsc n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jsc n GLY 33 N 0.01 0.32 2.30 0.27 0.00 -0.26 -4.94 105.19 102.89 2jsc n GLY 33 Ca 0.34 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2jsc n GLY 33 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jsc n VAL 34 N 0.00 0.00 0.00 1.61 0.24 0.38 -4.90 118.33 115.66 2jsc n VAL 34 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsc n VAL 34 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2jsc n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc s TYR 36 N -0.03 -0.00 0.27 0.00 2.02 -1.26 -3.98 117.35 114.37 2jsc s TYR 36 Ca 0.00 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 2jsc s TYR 36 Cb 0.00 -0.03 -0.11 0.00 -0.40 0.00 0.00 41.96 41.43 2jsc s TYR 36 CO 0.00 -0.15 1.50 -1.25 -1.57 0.00 0.00 175.55 174.09 2jsc s PRO 37 N -0.63 4.20 0.00 -1.71 0.04 -1.26 -1.57 135.00 134.09 2jsc s PRO 37 Ca -0.07 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2jsc s PRO 37 Cb -0.04 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2jsc s PRO 37 CO 0.00 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2jsc n GLY 38 N 2.11 1.35 0.22 0.56 0.00 -1.26 -4.89 105.19 103.28 2jsc n GLY 38 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.24 2jsc n GLY 38 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2jsc h GLN 39 N 2.23 0.00 -0.19 1.61 -0.00 -1.73 -2.76 115.11 114.28 2jsc h GLN 39 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 2jsc h GLN 39 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 2jsc h GLN 39 CO 0.00 0.00 0.51 -0.07 -0.00 0.00 0.00 178.83 179.27 2jsc h LEU 40 N 0.00 0.00 -1.28 0.06 3.38 -1.90 -0.79 115.31 114.78 2jsc h LEU 40 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jsc h LEU 40 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2jsc h LEU 40 CO 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.34 2jsc h ALA 41 N 1.16 1.40 0.07 1.53 0.00 -1.66 0.12 119.26 121.88 2jsc h ALA 41 Ca 0.09 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2jsc h ALA 41 Cb 1.10 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jsc h ALA 41 CO -0.00 0.42 -0.70 0.00 0.00 0.00 0.00 179.25 178.97 2jsc h ALA 42 N 1.57 -0.01 -0.06 0.00 0.00 -1.39 -2.60 119.26 116.78 2jsc h ALA 42 Ca 0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2jsc h ALA 42 Cb 0.48 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jsc h ALA 42 CO 0.03 0.36 -0.15 1.25 0.00 0.00 0.00 179.25 180.74 2jsc h HIS 43 N -0.24 0.10 0.00 0.00 6.17 -1.32 -2.75 115.15 117.11 2jsc h HIS 43 Ca -0.11 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.97 2jsc h HIS 43 Cb 1.47 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.37 2jsc h HIS 43 CO 0.17 0.24 -1.34 1.28 0.71 0.00 0.00 177.93 178.99 2jsc n LEU 44 N -4.32 0.55 0.00 0.26 4.77 0.40 -5.00 117.00 113.67 2jsc n LEU 44 Ca -0.02 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 2jsc n LEU 44 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2jsc n LEU 44 CO 0.37 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2jsc n GLY 45 N 1.42 0.52 3.78 -0.72 0.00 -1.00 -5.00 105.19 104.19 2jsc n GLY 45 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2jsc n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jsc s LEU 46 N 0.00 4.45 0.90 0.99 1.43 -1.12 -4.96 118.68 120.37 2jsc s LEU 46 Ca 0.00 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 2jsc s LEU 46 Cb 0.00 -2.87 0.12 0.00 0.03 0.00 0.00 46.19 43.48 2jsc s LEU 46 CO 0.00 0.17 1.07 0.35 0.23 0.00 0.00 176.35 178.18 2jsc n THR 47 N 2.39 0.41 -0.03 5.49 -2.24 -1.26 -4.24 114.28 114.80 2jsc n THR 47 Ca -0.09 -0.06 0.20 0.00 -2.27 0.00 0.00 64.05 61.83 2jsc n THR 47 Cb 0.51 -0.99 0.68 0.00 -2.10 0.00 0.00 70.33 68.42 2jsc n THR 47 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2jsc h ARG 48 N -1.66 0.04 0.42 -0.78 3.08 -1.90 0.11 114.38 113.69 2jsc h ARG 48 Ca -0.44 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 2jsc h ARG 48 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2jsc h ARG 48 CO 0.41 0.03 -0.20 0.77 -1.07 0.00 0.00 179.97 179.90 2jsc h SER 49 N 0.04 -0.48 -0.90 7.04 0.02 -1.99 -2.56 113.55 114.71 2jsc h SER 49 Ca 0.28 -0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.24 2jsc h SER 49 Cb 1.05 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.64 2jsc h SER 49 CO -0.01 -0.06 0.54 0.78 -1.14 0.00 0.00 176.83 176.93 2jsc h ASN 50 N -1.02 0.78 0.37 3.07 4.21 -1.50 -0.87 115.58 120.62 2jsc h ASN 50 Ca -0.06 0.05 -0.14 0.00 1.21 0.00 0.00 56.30 57.36 2jsc h ASN 50 Cb 0.54 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 2jsc h ASN 50 CO 0.10 0.43 -0.60 0.58 -1.29 0.00 0.00 177.43 176.64 2jsc h VAL 51 N 0.88 1.39 -0.15 2.81 2.07 -0.97 -3.19 116.25 119.08 2jsc h VAL 51 Ca 0.44 -1.98 -0.12 0.00 0.82 0.00 0.00 66.70 65.86 2jsc h VAL 51 Cb 0.42 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2jsc h VAL 51 CO -0.26 0.59 -0.43 0.28 0.02 0.00 0.00 177.57 177.76 2jsc h SER 52 N 0.17 0.38 -0.34 0.57 0.02 -0.75 -1.98 113.55 111.62 2jsc h SER 52 Ca -0.01 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2jsc h SER 52 Cb 1.10 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 2jsc h SER 52 CO 0.09 0.77 0.02 0.78 -1.14 0.00 0.00 176.83 177.35 2jsc h ASN 53 N 0.30 -0.10 -0.82 3.07 2.35 -1.35 0.13 115.58 119.16 2jsc h ASN 53 Ca 0.02 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2jsc h ASN 53 Cb 0.89 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.34 2jsc h ASN 53 CO 0.07 -0.01 0.38 0.45 -1.65 0.00 0.00 177.43 176.67 2jsc h HIS 54 N 0.12 1.20 0.00 1.19 3.86 -1.49 -2.95 115.15 117.09 2jsc h HIS 54 Ca 0.17 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2jsc h HIS 54 Cb 0.22 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2jsc h HIS 54 CO -0.23 0.88 0.00 -0.07 0.86 0.00 0.00 177.93 179.37 2jsc h LEU 55 N 1.17 0.00 -0.50 2.43 3.38 -0.96 -3.17 115.31 117.67 2jsc h LEU 55 Ca 0.28 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2jsc h LEU 55 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2jsc h LEU 55 CO -0.03 0.00 -0.01 -1.28 0.09 0.00 0.00 178.44 177.21 2jsc h SER 56 N 0.00 0.87 -0.09 -0.43 0.87 -0.79 -0.77 113.55 113.21 2jsc h SER 56 Ca 0.00 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 2jsc h SER 56 Cb 0.71 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2jsc h SER 56 CO 0.00 0.97 -0.03 0.00 -0.53 0.00 0.00 176.83 177.24 2jsc h LEU 58 N -0.16 0.87 -1.29 0.00 5.85 -1.48 0.39 115.31 119.49 2jsc h LEU 58 Ca 0.02 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2jsc h LEU 58 Cb 0.44 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2jsc h LEU 58 CO 0.01 0.76 0.00 0.54 -0.34 0.00 0.00 178.44 179.41 2jsc n ARG 59 N -4.32 1.82 -0.05 1.25 1.74 -0.31 -1.18 116.66 115.61 2jsc n ARG 59 Ca 0.06 -1.26 -0.10 0.00 -0.77 0.00 0.00 57.85 55.77 2jsc n ARG 59 Cb 0.16 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 2jsc n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jsc n GLY 60 N 1.09 -0.30 0.27 -0.13 0.00 -0.45 -4.67 105.19 101.00 2jsc n GLY 60 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jsc n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jsc n GLY 62 N 0.18 1.49 0.26 0.00 0.00 -1.24 -4.88 105.19 101.00 2jsc n GLY 62 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2jsc n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jsc h LEU 63 N 0.00 0.05 -8.06 0.99 3.38 -1.67 -3.35 115.31 106.64 2jsc h LEU 63 Ca 0.00 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2jsc h LEU 63 Cb 0.00 -0.01 -0.20 0.00 0.09 0.00 0.00 40.66 40.53 2jsc h LEU 63 CO 0.00 0.08 -0.71 0.68 0.09 0.00 0.00 178.44 178.58 2jsc s VAL 64 N -5.00 0.25 -0.08 1.22 -7.23 -0.32 -0.89 120.40 108.34 2jsc s VAL 64 Ca -0.05 -1.06 -0.14 0.00 -1.81 0.00 0.00 61.98 58.92 2jsc s VAL 64 Cb 0.17 -0.50 0.03 0.00 0.56 0.00 0.00 36.38 36.63 2jsc s VAL 64 CO 0.68 -0.53 0.34 -0.69 -0.31 0.00 0.00 175.10 174.59 2jsc s VAL 65 N -1.73 0.03 0.26 1.32 1.01 0.71 -3.74 120.40 118.26 2jsc s VAL 65 Ca -0.12 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2jsc s VAL 65 Cb -0.08 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 2jsc s VAL 65 CO -0.02 -0.12 0.97 0.00 0.00 0.00 0.00 175.10 175.94 2jsc s ALA 66 N -0.52 3.34 -0.05 5.51 0.00 -1.26 -0.30 121.76 128.48 2jsc s ALA 66 Ca -0.06 0.66 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 2jsc s ALA 66 Cb -0.04 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.88 2jsc s ALA 66 CO 0.02 0.13 0.12 0.99 0.00 0.00 0.00 175.76 177.03 2jsc s THR 67 N -1.22 -0.03 0.14 0.00 2.01 -1.08 -4.92 115.64 110.53 2jsc s THR 67 Ca 0.43 0.11 -0.31 0.00 0.31 0.00 0.00 61.69 62.22 2jsc s THR 67 Cb -0.26 -0.20 -0.10 0.00 0.01 0.00 0.00 72.50 71.95 2jsc s THR 67 CO 0.33 0.05 1.73 -0.31 -0.69 0.00 0.00 174.62 175.73 2jsc s TYR 68 N 0.71 2.52 0.00 4.92 2.02 -1.26 -0.15 117.35 126.11 2jsc s TYR 68 Ca -0.05 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 2jsc s TYR 68 Cb -0.07 -4.09 0.00 0.00 -0.40 0.00 0.00 41.96 37.40 2jsc s TYR 68 CO -0.03 -4.33 0.00 -0.85 -1.57 0.00 0.00 175.55 168.77 2jsc n GLU 69 N 5.01 1.55 -0.00 -0.62 -0.00 0.19 -4.83 120.64 121.93 2jsc n GLU 69 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.19 2jsc n GLU 69 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 31.81 2jsc n GLU 69 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2jsc h GLY 70 N 0.00 0.71 0.00 -1.84 0.00 -1.99 -3.44 103.07 96.52 2jsc h GLY 70 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.38 2jsc h GLY 70 CO 0.00 0.85 0.00 -2.13 0.00 0.00 0.00 176.54 175.26 2jsc n ARG 71 N -3.92 0.00 -2.35 4.80 0.63 -1.26 -5.12 116.66 109.43 2jsc n ARG 71 Ca -0.05 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.79 2jsc n ARG 71 Cb 0.69 -0.01 -0.00 0.00 0.45 0.00 0.00 32.46 33.59 2jsc n ARG 71 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2jsc n GLN 72 N 0.00 1.31 -4.10 -0.14 3.00 -1.26 -5.15 117.38 111.03 2jsc n GLN 72 Ca 0.00 -1.11 -0.32 0.00 -0.01 0.00 0.00 57.00 55.56 2jsc n GLN 72 Cb 0.02 0.16 -0.07 0.00 0.00 0.00 0.00 30.24 30.34 2jsc n GLN 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2jsc s VAL 73 N -1.00 4.65 0.00 5.09 -7.23 -1.26 -0.64 120.40 120.02 2jsc s VAL 73 Ca 0.08 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 2jsc s VAL 73 Cb -0.01 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2jsc s VAL 73 CO 0.05 0.30 0.00 -2.11 -0.31 0.00 0.00 175.10 173.03 2jsc n ARG 74 N 1.03 3.03 -3.18 4.82 1.85 0.79 -3.98 116.66 121.02 2jsc n ARG 74 Ca -0.12 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.75 2jsc n ARG 74 Cb 0.52 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.93 2jsc n ARG 74 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2jsc s TYR 75 N 1.02 -1.74 0.28 2.89 1.13 -1.26 -2.65 117.35 117.02 2jsc s TYR 75 Ca 0.00 0.76 -0.02 0.00 -1.41 0.00 0.00 57.07 56.40 2jsc s TYR 75 Cb 0.00 0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2jsc s TYR 75 CO 0.00 -1.11 0.50 0.00 -2.51 0.00 0.00 175.55 172.44 2jsc s ALA 76 N 2.50 3.71 0.88 9.51 0.00 0.60 -4.37 121.76 134.58 2jsc s ALA 76 Ca 0.12 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 2jsc s ALA 76 Cb -0.09 -2.15 0.13 0.00 0.00 0.00 0.00 23.12 21.01 2jsc s ALA 76 CO -0.20 0.22 1.13 -0.51 0.00 0.00 0.00 175.76 176.40 2jsc s LEU 77 N -3.70 2.87 0.29 0.00 1.43 -1.26 -0.21 118.68 118.09 2jsc s LEU 77 Ca 0.41 2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 55.59 2jsc s LEU 77 Cb -0.10 -4.54 0.63 0.00 0.03 0.00 0.00 46.19 42.21 2jsc s LEU 77 CO 0.31 -2.87 1.59 0.00 0.23 0.00 0.00 176.35 175.62 2jsc h ALA 78 N -1.71 1.02 -2.21 4.21 0.00 -1.16 -3.43 119.26 115.99 2jsc h ALA 78 Ca -0.43 0.31 0.21 0.00 0.00 0.00 0.00 54.91 54.99 2jsc h ALA 78 Cb 1.26 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 19.51 2jsc h ALA 78 CO 0.44 -0.50 0.59 0.34 0.00 0.00 0.00 179.25 180.11 2jsc s ASP 79 N -5.09 -0.10 0.31 0.00 2.15 -1.26 -4.98 116.67 107.69 2jsc s ASP 79 Ca -0.13 -0.41 0.22 0.00 0.43 0.00 0.00 52.55 52.66 2jsc s ASP 79 Cb 0.27 0.42 1.06 0.00 -0.30 0.00 0.00 42.92 44.37 2jsc s ASP 79 CO 0.77 -0.79 1.13 -1.20 -0.17 0.00 0.00 175.17 174.91 2jsc n SER 80 N -0.67 0.17 -0.09 -0.34 7.64 -1.26 -1.21 113.62 117.85 2jsc n SER 80 Ca -0.06 1.03 -0.02 0.00 1.01 0.00 0.00 58.87 60.83 2jsc n SER 80 Cb 0.61 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 2jsc n SER 80 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2jsc n HIS 81 N -4.21 -0.09 0.10 1.43 8.25 -1.26 -0.26 115.22 119.18 2jsc n HIS 81 Ca 0.29 0.26 -0.17 0.00 -0.26 0.00 0.00 57.72 57.84 2jsc n HIS 81 Cb 1.10 -0.50 -0.12 0.00 1.12 0.00 0.00 29.99 31.59 2jsc n HIS 81 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2jsc h LEU 82 N 0.00 0.53 -1.58 2.41 3.38 -1.56 -1.18 115.31 117.30 2jsc h LEU 82 Ca 0.03 -0.53 0.14 0.00 0.09 0.00 0.00 57.88 57.61 2jsc h LEU 82 Cb 0.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2jsc h LEU 82 CO -0.19 1.39 0.49 0.00 0.09 0.00 0.00 178.44 180.21 2jsc h ALA 83 N 0.54 2.08 0.00 1.53 0.00 -1.44 -0.66 119.26 121.32 2jsc h ALA 83 Ca -0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2jsc h ALA 83 Cb 1.92 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.64 2jsc h ALA 83 CO 0.21 -0.27 -0.16 -0.09 0.00 0.00 0.00 179.25 178.93 2jsc h ARG 84 N 0.42 0.00 -0.19 0.00 9.65 -0.49 -2.83 114.38 120.94 2jsc h ARG 84 Ca 0.35 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.19 2jsc h ARG 84 Cb 0.78 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 2jsc h ARG 84 CO -0.11 0.03 -0.06 0.00 2.80 0.00 0.00 179.97 182.63 2jsc h ALA 85 N -0.98 1.56 -0.01 2.80 0.00 -1.20 0.17 119.26 121.61 2jsc h ALA 85 Ca -0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2jsc h ALA 85 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2jsc h ALA 85 CO -0.00 0.32 -0.93 1.25 0.00 0.00 0.00 179.25 179.88 2jsc h LEU 86 N 0.27 0.55 -0.24 0.00 6.46 -1.32 -2.97 115.31 118.06 2jsc h LEU 86 Ca 0.06 -0.44 -0.12 0.00 -0.12 0.00 0.00 57.88 57.26 2jsc h LEU 86 Cb 0.28 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2jsc h LEU 86 CO 0.01 1.23 -0.34 1.23 -0.62 0.00 0.00 178.44 179.96 2jsc h GLY 87 N 1.20 0.71 2.00 3.75 0.00 -0.78 -2.74 103.07 107.21 2jsc h GLY 87 Ca -0.08 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.40 2jsc h GLY 87 CO 0.16 0.71 -0.32 1.05 0.00 0.00 0.00 176.54 178.14 2jsc h GLU 88 N 0.36 0.00 0.00 4.80 4.11 -1.29 -3.50 114.58 119.06 2jsc h GLU 88 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 2jsc h GLU 88 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2jsc h GLU 88 CO 0.08 0.32 0.00 -0.11 0.07 0.00 0.00 179.01 179.37 2jsc n LEU 89 N -3.24 -0.35 0.00 3.06 7.94 -1.03 -4.73 117.00 118.65 2jsc n LEU 89 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2jsc n LEU 89 Cb 0.61 0.96 0.00 0.00 0.53 0.00 0.00 43.42 45.53 2jsc n LEU 89 CO 0.37 0.00 0.40 1.33 -1.11 0.00 0.00 177.39 178.38 2jsc n VAL 90 N -1.20 0.66 0.00 1.96 0.24 -1.25 -4.81 118.33 113.93 2jsc n VAL 90 Ca 0.00 0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.67 2jsc n VAL 90 Cb 0.00 -1.37 0.00 0.00 -1.47 0.00 0.00 33.84 31.00 2jsc n VAL 90 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jsc n GLN 91 N -1.09 0.00 0.00 7.34 1.13 -1.26 -4.84 117.38 118.66 2jsc n GLN 91 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jsc n GLN 91 Cb 0.21 -0.08 0.00 0.00 0.11 0.00 0.00 30.24 30.48 2jsc n GLN 91 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 2jsc n VAL 92 N 0.00 0.00 -0.98 5.09 3.14 -1.26 -4.05 118.33 120.27 2jsc n VAL 92 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2jsc n VAL 92 Cb 0.00 -0.67 -0.00 0.00 -1.06 0.00 0.00 33.84 32.10 2jsc n VAL 92 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2jsc n VAL 93 N 1.91 0.00 -1.15 1.55 0.31 -1.26 -3.68 118.33 116.01 2jsc n VAL 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2jsc n VAL 93 Cb 0.00 -1.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 2jsc n VAL 93 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jsc n LEU 94 N -0.08 -3.08 -4.37 7.52 0.00 -1.26 -4.83 117.00 110.90 2jsc n LEU 94 Ca -0.01 0.73 -0.28 0.00 0.00 0.00 0.00 56.01 56.46 2jsc n LEU 94 Cb 0.49 -1.54 -0.08 0.00 0.00 0.00 0.00 43.42 42.29 2jsc n LEU 94 CO 0.01 -0.60 1.47 0.00 0.00 0.00 0.00 177.39 178.27 2jsc n ALA 95 N 0.45 1.50 -1.74 1.96 0.00 -1.24 -4.93 120.51 116.52 2jsc n ALA 95 Ca 0.00 -2.82 -0.41 0.00 0.00 0.00 0.00 53.44 50.20 2jsc n ALA 95 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 15.97 2jsc n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jsc n VAL 96 N 7.86 2.20 -1.49 0.00 0.24 -1.26 -4.90 118.33 120.98 2jsc n VAL 96 Ca 0.45 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.81 2jsc n VAL 96 Cb 0.46 -1.76 -0.08 0.00 -1.47 0.00 0.00 33.84 30.98 2jsc n VAL 96 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2jsc n ASP 97 N 0.42 1.67 0.00 -1.34 9.92 -1.26 -4.53 116.55 121.43 2jsc n ASP 97 Ca 0.04 0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 2jsc n ASP 97 Cb 0.38 -1.27 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 2jsc n ASP 97 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2jsc n THR 98 N 7.54 0.00 -3.29 -3.53 -2.24 -1.26 -5.08 114.28 106.42 2jsc n THR 98 Ca 0.47 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.08 2jsc n THR 98 Cb 0.28 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.57 2jsc n THR 98 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jsc n ASP 99 N -2.16 -4.28 -4.74 3.42 8.00 -1.26 -5.03 116.55 110.51 2jsc n ASP 99 Ca 0.00 -0.45 -0.32 0.00 0.71 0.00 0.00 54.79 54.73 2jsc n ASP 99 Cb 0.00 -4.11 0.10 0.00 -0.02 0.00 0.00 41.12 37.09 2jsc n ASP 99 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2jsc s GLN 100 N -5.70 2.04 0.97 -1.24 1.11 -1.26 -5.04 119.66 110.54 2jsc s GLN 100 Ca 0.30 1.40 -0.11 0.00 0.01 0.00 0.00 55.36 56.96 2jsc s GLN 100 Cb -0.13 -1.86 0.18 0.00 -1.01 0.00 0.00 33.01 30.19 2jsc s GLN 100 CO 0.58 -1.84 1.10 -0.35 0.01 0.00 0.00 175.29 174.79 2jsc n PRO 101 N -3.36 -0.87 -1.77 2.91 -0.04 -1.26 -4.96 135.00 125.66 2jsc n PRO 101 Ca 0.11 -0.19 -0.39 0.00 -0.04 0.00 0.00 63.50 62.99 2jsc n PRO 101 Cb 0.52 -2.33 0.04 0.00 -0.04 0.00 0.00 33.50 31.70 2jsc n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jsc h VAL 103 N 1.55 0.58 0.00 0.00 2.07 -2.06 -0.78 116.25 117.61 2jsc h VAL 103 Ca -0.51 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2jsc h VAL 103 Cb 1.30 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2jsc h VAL 103 CO 0.58 0.00 -1.23 0.00 0.02 0.00 0.00 177.57 176.93 2jsc n ALA 104 N -2.62 3.00 -2.30 1.67 0.00 -1.26 -4.97 120.51 114.03 2jsc n ALA 104 Ca 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2jsc n ALA 104 Cb 0.78 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2jsc n ALA 104 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jsc n GLU 105 N -2.25 3.27 0.00 0.00 -0.00 -0.30 -5.26 120.64 116.10 2jsc n GLU 105 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2jsc n GLU 105 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 2jsc n GLU 105 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02