#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jpl n SER 205 N 0.00 5.47 0.00 1.61 7.64 -1.26 -4.03 113.62 123.06 1jpl n SER 205 Ca 0.00 -2.50 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1jpl n SER 205 Cb 0.00 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1jpl n SER 205 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jpl n ALA 2 N 4.74 0.00 -2.03 -0.43 0.00 -1.26 -1.65 120.51 119.87 1jpl n ALA 2 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1jpl n ALA 2 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1jpl n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jpl n GLU 3 N 0.00 1.89 -0.20 0.00 -0.58 -1.26 -4.91 120.64 115.59 1jpl n GLU 3 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 1jpl n GLU 3 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 1jpl n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jpl h ALA 4 N -0.83 0.76 -0.01 0.62 0.00 -1.97 -2.36 119.26 115.47 1jpl h ALA 4 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.64 1jpl h ALA 4 Cb 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 1jpl h ALA 4 CO 0.00 0.57 -0.53 0.93 0.00 0.00 0.00 179.25 180.22 1jpl h GLU 5 N 0.87 -0.64 -0.71 0.00 3.07 -1.96 0.17 114.58 115.39 1jpl h GLU 5 Ca 0.16 0.04 0.04 0.00 -0.50 0.00 0.00 59.36 59.11 1jpl h GLU 5 Cb 0.51 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.52 1jpl h GLU 5 CO 0.02 -0.42 0.43 0.78 -1.40 0.00 0.00 179.01 178.42 1jpl h GLY 6 N -0.66 1.03 0.89 -3.84 0.00 -1.28 -0.75 103.07 98.45 1jpl h GLY 6 Ca 0.02 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.05 1jpl h GLY 6 CO -0.37 0.24 0.14 0.83 0.00 0.00 0.00 176.54 177.39 1jpl h GLU 7 N 0.82 0.29 0.11 4.80 5.08 -0.92 -1.91 114.58 122.85 1jpl h GLU 7 Ca 0.30 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1jpl h GLU 7 Cb 0.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1jpl h GLU 7 CO -0.14 0.19 -0.05 1.03 -1.00 0.00 0.00 179.01 179.04 1jpl h SER 8 N 0.30 -0.13 -0.94 1.42 0.87 -0.24 -1.81 113.55 113.03 1jpl h SER 8 Ca 0.11 -0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1jpl h SER 8 Cb 0.03 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 1jpl h SER 8 CO -0.07 0.00 0.61 -0.07 -0.53 0.00 0.00 176.83 176.77 1jpl h LEU 9 N -0.25 0.94 -0.70 2.23 3.38 -1.05 -1.48 115.31 118.37 1jpl h LEU 9 Ca -0.02 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1jpl h LEU 9 Cb 0.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jpl h LEU 9 CO 0.02 0.59 -0.62 -0.08 0.09 0.00 0.00 178.44 178.45 1jpl h GLU 10 N 1.06 0.11 0.04 1.13 4.57 -1.25 -0.67 114.58 119.57 1jpl h GLU 10 Ca 0.41 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1jpl h GLU 10 Cb 0.22 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1jpl h GLU 10 CO -0.16 0.69 -0.02 0.77 -1.18 0.00 0.00 179.01 179.11 1jpl h SER 11 N 0.08 -0.05 -0.36 1.04 0.02 -0.40 0.27 113.55 114.15 1jpl h SER 11 Ca -0.01 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1jpl h SER 11 Cb 1.11 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1jpl h SER 11 CO 0.09 0.06 0.17 -0.50 -1.14 0.00 0.00 176.83 175.52 1jpl h TRP 12 N -0.15 0.32 -0.28 3.45 4.06 -1.26 -1.81 115.95 120.27 1jpl h TRP 12 Ca -0.01 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 1jpl h TRP 12 Cb 0.14 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 1jpl h TRP 12 CO -0.04 0.17 0.16 1.25 -3.56 0.00 0.00 178.44 176.42 1jpl h LEU 13 N 0.36 0.34 -0.31 -4.49 5.85 -0.75 0.38 115.31 116.69 1jpl h LEU 13 Ca 0.16 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1jpl h LEU 13 Cb 0.07 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1jpl h LEU 13 CO -0.11 0.27 0.06 0.78 -0.34 0.00 0.00 178.44 179.10 1jpl h ASN 14 N 0.39 0.48 -0.00 1.25 4.21 0.33 -0.81 115.58 121.42 1jpl h ASN 14 Ca 0.10 -0.24 -0.12 0.00 1.21 0.00 0.00 56.30 57.25 1jpl h ASN 14 Cb 0.00 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.07 1jpl h ASN 14 CO -0.02 0.60 -0.38 0.11 -1.29 0.00 0.00 177.43 176.45 1jpl h LYS 15 N 0.34 0.50 0.00 0.81 1.57 -0.58 0.51 116.57 119.72 1jpl h LYS 15 Ca 0.10 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1jpl h LYS 15 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1jpl h LYS 15 CO 0.00 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.69 1jpl n ALA 16 N -2.50 2.00 -1.74 3.86 0.00 0.12 -3.62 120.51 118.65 1jpl n ALA 16 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.47 1jpl n ALA 16 Cb 0.49 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.58 1jpl n ALA 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jpl n THR 17 N -2.13 0.67 -1.65 0.00 -2.24 -0.33 -4.77 114.28 103.83 1jpl n THR 17 Ca 0.04 -0.90 -0.47 0.00 -2.27 0.00 0.00 64.05 60.45 1jpl n THR 17 Cb 0.33 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 1jpl n THR 17 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jpl n ASN 18 N -0.45 3.47 0.12 3.42 4.05 0.15 -4.52 115.26 121.50 1jpl n ASN 18 Ca 0.06 0.83 0.08 0.00 0.45 0.00 0.00 54.58 56.00 1jpl n ASN 18 Cb 0.72 -1.41 0.42 0.00 1.23 0.00 0.00 39.78 40.73 1jpl n ASN 18 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1jpl n PRO 19 N 7.20 0.10 0.00 1.20 -0.02 -1.26 -1.08 135.00 141.13 1jpl n PRO 19 Ca 0.24 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 62.46 1jpl n PRO 19 Cb 0.33 -1.84 0.52 0.00 -0.02 0.00 0.00 33.50 32.49 1jpl n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jpl n SER 20 N -2.04 0.55 -4.77 2.55 3.41 -1.26 -4.88 113.62 107.17 1jpl n SER 20 Ca -0.01 -0.51 -0.40 0.00 -0.26 0.00 0.00 58.87 57.69 1jpl n SER 20 Cb 0.03 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1jpl n SER 20 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1jpl s ASN 21 N -2.58 6.23 0.01 4.04 0.02 -0.24 -4.91 114.94 117.49 1jpl s ASN 21 Ca 0.25 2.94 -0.13 0.00 -1.02 0.00 0.00 52.86 54.90 1jpl s ASN 21 Cb 0.19 -2.66 -0.33 0.00 0.02 0.00 0.00 41.25 38.47 1jpl s ASN 21 CO 0.51 -0.94 0.89 0.03 0.02 0.00 0.00 177.10 177.62 1jpl h ARG 22 N 2.79 0.46 -4.57 -0.60 3.08 -1.89 -3.48 114.38 110.16 1jpl h ARG 22 Ca -0.51 -0.78 -0.38 0.00 0.07 0.00 0.00 59.98 58.38 1jpl h ARG 22 Cb 1.25 0.29 -0.11 0.00 0.08 0.00 0.00 29.97 31.48 1jpl h ARG 22 CO 0.63 1.37 -0.37 1.14 -1.07 0.00 0.00 179.97 181.67 1jpl s GLN 23 N -2.60 1.80 0.41 0.04 -2.07 -1.26 -5.13 119.66 110.85 1jpl s GLN 23 Ca -0.11 -1.89 -0.27 0.00 -1.82 0.00 0.00 55.36 51.27 1jpl s GLN 23 Cb 0.05 0.37 -0.10 0.00 -1.09 0.00 0.00 33.01 32.25 1jpl s GLN 23 CO 0.91 -0.70 1.45 -1.21 -1.32 0.00 0.00 175.29 174.42 1jpl s GLU 24 N -3.31 3.91 -0.65 9.60 8.01 -1.26 -4.95 118.70 130.05 1jpl s GLU 24 Ca 0.36 2.48 -0.00 0.00 0.01 0.00 0.00 54.97 57.82 1jpl s GLU 24 Cb 0.01 -2.82 0.16 0.00 -4.31 0.00 0.00 34.13 27.18 1jpl s GLU 24 CO 0.24 -0.66 0.45 0.34 0.01 0.00 0.00 175.26 175.64 1jpl s ASP 25 N -0.34 5.07 0.64 -0.19 -1.08 -1.26 -4.94 116.67 114.57 1jpl s ASP 25 Ca 0.57 -3.13 0.42 0.00 -0.52 0.00 0.00 52.55 49.88 1jpl s ASP 25 Cb -0.45 -1.79 2.30 0.00 -1.46 0.00 0.00 42.92 41.53 1jpl s ASP 25 CO 0.59 -0.28 2.30 -0.50 0.52 0.00 0.00 175.17 177.80 1jpl h TRP 26 N 6.57 0.00 0.12 -5.34 4.06 -1.97 -1.42 115.95 117.96 1jpl h TRP 26 Ca 0.01 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1jpl h TRP 26 Cb 0.90 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1jpl h TRP 26 CO 0.67 0.00 -0.10 1.49 -3.56 0.00 0.00 178.44 176.94 1jpl h GLU 27 N 0.00 -0.21 0.09 0.49 4.81 -1.99 -1.17 114.58 116.59 1jpl h GLU 27 Ca 0.00 0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 1jpl h GLU 27 Cb 0.03 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1jpl h GLU 27 CO 0.00 -0.14 -1.16 1.88 -0.73 0.00 0.00 179.01 178.86 1jpl h TYR 28 N -0.22 0.62 0.04 0.92 0.05 -1.69 -2.52 116.97 114.16 1jpl h TYR 28 Ca -0.00 -0.41 0.01 0.00 0.05 0.00 0.00 58.73 58.38 1jpl h TYR 28 Cb 0.20 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1jpl h TYR 28 CO -0.10 1.28 -0.07 0.82 -1.05 0.00 0.00 178.16 179.04 1jpl h ILE 29 N 0.15 0.84 -0.42 -2.88 2.04 -1.23 -0.84 117.51 115.17 1jpl h ILE 29 Ca -0.13 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1jpl h ILE 29 Cb 1.85 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1jpl h ILE 29 CO 0.20 0.00 -0.16 0.40 0.00 0.00 0.00 178.15 178.59 1jpl h ILE 30 N -0.13 1.26 -0.39 -0.67 1.08 -1.32 -2.71 117.51 114.63 1jpl h ILE 30 Ca 0.01 -1.25 0.07 0.00 -0.39 0.00 0.00 64.86 63.31 1jpl h ILE 30 Cb 0.15 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 1jpl h ILE 30 CO -0.04 0.42 -0.02 1.23 -0.69 0.00 0.00 178.15 179.05 1jpl h GLY 31 N 0.97 0.36 0.56 5.37 0.00 -0.97 0.17 103.07 109.53 1jpl h GLY 31 Ca 0.11 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.55 1jpl h GLY 31 CO 0.05 -0.11 -0.05 -2.75 0.00 0.00 0.00 176.54 173.68 1jpl h PHE 32 N 0.08 -0.11 -0.52 5.60 3.57 -0.97 0.15 116.94 124.75 1jpl h PHE 32 Ca 0.19 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1jpl h PHE 32 Cb 0.28 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1jpl h PHE 32 CO -0.29 -0.09 0.21 0.00 -2.23 0.00 0.00 178.31 175.91 1jpl h ASP 34 N 0.40 0.99 -0.15 0.00 3.32 0.24 -1.08 116.42 120.14 1jpl h ASP 34 Ca 0.24 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1jpl h ASP 34 Cb 0.24 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1jpl h ASP 34 CO -0.23 0.87 -0.05 1.56 -1.72 0.00 0.00 179.24 179.67 1jpl h GLN 35 N 1.04 -0.02 -1.00 3.56 1.08 0.00 -1.82 115.11 117.95 1jpl h GLN 35 Ca 0.25 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.58 1jpl h GLN 35 Cb 0.17 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.52 1jpl h GLN 35 CO -0.02 -0.01 0.62 0.82 -0.95 0.00 0.00 178.83 179.29 1jpl h ILE 36 N -0.02 0.89 0.00 2.54 2.04 -0.55 0.41 117.51 122.82 1jpl h ILE 36 Ca 0.08 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1jpl h ILE 36 Cb 0.13 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 1jpl h ILE 36 CO -0.17 0.17 -0.31 0.78 0.00 0.00 0.00 178.15 178.62 1jpl h ASN 37 N 0.96 0.00 0.62 1.72 -0.26 -0.44 -3.12 115.58 115.05 1jpl h ASN 37 Ca 0.51 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 56.03 1jpl h ASN 37 Cb 0.55 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.77 1jpl h ASN 37 CO -0.28 0.31 -1.53 0.29 -1.06 0.00 0.00 177.43 175.16 1jpl n LYS 38 N -3.74 0.62 -2.95 0.81 4.01 -0.32 -4.94 118.16 111.66 1jpl n LYS 38 Ca -0.01 0.26 -0.40 0.00 -0.51 0.00 0.00 58.31 57.65 1jpl n LYS 38 Cb 0.41 -1.80 -0.05 0.00 -0.51 0.00 0.00 35.03 33.07 1jpl n LYS 38 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1jpl s GLU 39 N -2.79 4.57 0.17 1.97 0.41 -0.02 -4.99 118.70 118.02 1jpl s GLU 39 Ca -0.04 1.17 -0.13 0.00 -0.41 0.00 0.00 54.97 55.56 1jpl s GLU 39 Cb 0.08 -3.31 0.06 0.00 -1.78 0.00 0.00 34.13 29.19 1jpl s GLU 39 CO 0.82 0.43 1.77 1.25 -0.49 0.00 0.00 175.26 179.04 1jpl h LEU 40 N 4.92 0.70 -3.41 1.80 5.85 -1.91 -2.48 115.31 120.78 1jpl h LEU 40 Ca -0.45 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1jpl h LEU 40 Cb 1.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1jpl h LEU 40 CO 0.68 0.61 0.00 -0.62 -0.34 0.00 0.00 178.44 178.77 1jpl n GLU 41 N -4.59 3.94 -0.03 1.25 1.02 -1.26 -4.72 120.64 116.24 1jpl n GLU 41 Ca 0.03 -3.01 -0.11 0.00 -0.02 0.00 0.00 57.16 54.05 1jpl n GLU 41 Cb 0.10 -2.06 -0.05 0.00 -0.02 0.00 0.00 31.44 29.41 1jpl n GLU 41 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1jpl h GLY 42 N 2.94 -0.53 0.92 0.62 0.00 -1.67 -1.54 103.07 103.81 1jpl h GLY 42 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.81 1jpl h GLY 42 CO 0.36 -0.22 0.04 -2.55 0.00 0.00 0.00 176.54 174.17 1jpl h PRO 43 N -0.41 0.10 -0.75 4.80 0.11 -1.81 0.17 132.00 134.20 1jpl h PRO 43 Ca 0.10 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.23 1jpl h PRO 43 Cb 0.58 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.63 1jpl h PRO 43 CO -0.42 0.06 0.50 1.96 -0.21 0.00 0.00 178.00 179.89 1jpl h GLN 44 N 0.10 0.95 0.01 1.05 7.50 -1.88 -1.97 115.11 120.86 1jpl h GLN 44 Ca 0.05 -0.06 -0.17 0.00 0.50 0.00 0.00 58.65 58.97 1jpl h GLN 44 Cb 0.02 -0.21 0.01 0.00 0.05 0.00 0.00 27.48 27.35 1jpl h GLN 44 CO -0.05 0.63 -0.68 0.82 -1.50 0.00 0.00 178.83 178.04 1jpl h ILE 45 N 0.97 1.41 -0.62 2.54 2.04 -0.97 -3.28 117.51 119.60 1jpl h ILE 45 Ca 0.29 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 64.01 1jpl h ILE 45 Cb -0.04 2.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 1jpl h ILE 45 CO -0.07 0.63 0.41 0.00 0.00 0.00 0.00 178.15 179.11 1jpl h ALA 46 N 0.31 0.79 -0.34 1.87 0.00 -0.43 -2.26 119.26 119.20 1jpl h ALA 46 Ca -0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1jpl h ALA 46 Cb 1.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1jpl h ALA 46 CO 0.13 0.22 0.02 -0.39 0.00 0.00 0.00 179.25 179.24 1jpl h VAL 47 N 0.84 1.19 -0.24 0.00 -1.51 -1.48 0.13 116.25 115.18 1jpl h VAL 47 Ca 0.23 -0.72 -0.20 0.00 -1.23 0.00 0.00 66.70 64.77 1jpl h VAL 47 Cb -0.09 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 29.98 1jpl h VAL 47 CO -0.05 0.25 -0.62 0.03 -1.23 0.00 0.00 177.57 175.95 1jpl h ARG 48 N 0.51 0.85 -0.42 5.19 3.08 -1.57 -1.18 114.38 120.83 1jpl h ARG 48 Ca 0.11 -0.59 -0.07 0.00 0.07 0.00 0.00 59.98 59.51 1jpl h ARG 48 Cb 0.29 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1jpl h ARG 48 CO 0.01 1.21 0.00 -0.07 -1.07 0.00 0.00 179.97 180.05 1jpl h LEU 49 N 0.61 0.72 -0.52 3.04 3.38 -0.96 -2.20 115.31 119.38 1jpl h LEU 49 Ca -0.01 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.56 1jpl h LEU 49 Cb 1.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1jpl h LEU 49 CO 0.13 0.85 -0.06 -0.07 0.09 0.00 0.00 178.44 179.38 1jpl h LEU 50 N 0.57 0.96 -0.61 1.67 3.38 -0.77 -0.97 115.31 119.54 1jpl h LEU 50 Ca 0.12 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jpl h LEU 50 Cb 0.48 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1jpl h LEU 50 CO 0.02 1.07 0.26 0.00 0.09 0.00 0.00 178.44 179.89 1jpl h ALA 51 N 0.93 0.80 -0.36 1.53 0.00 -1.09 0.14 119.26 121.20 1jpl h ALA 51 Ca 0.14 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 1jpl h ALA 51 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jpl h ALA 51 CO 0.04 -0.13 -0.06 1.25 0.00 0.00 0.00 179.25 180.35 1jpl h HIS 52 N 0.48 0.76 -0.54 0.00 -0.00 -1.05 -2.50 115.15 112.29 1jpl h HIS 52 Ca 0.30 -0.15 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1jpl h HIS 52 Cb 0.32 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 1jpl h HIS 52 CO -0.14 0.82 0.16 0.87 -0.00 0.00 0.00 177.93 179.64 1jpl h LYS 53 N 0.48 0.81 0.00 5.26 1.79 -0.47 -2.09 116.57 122.35 1jpl h LYS 53 Ca 0.09 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1jpl h LYS 53 Cb 0.55 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1jpl h LYS 53 CO 0.03 0.71 -0.19 0.82 -1.08 0.00 0.00 179.45 179.74 1jpl h ILE 54 N 0.79 0.62 -0.46 1.86 2.04 -0.61 -1.66 117.51 120.08 1jpl h ILE 54 Ca 0.18 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1jpl h ILE 54 Cb 0.24 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1jpl h ILE 54 CO -0.01 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.33 1jpl n GLN 55 N -3.57 2.68 -2.13 2.37 6.02 -0.80 -4.84 117.38 117.11 1jpl n GLN 55 Ca -0.01 -1.92 -0.38 0.00 -0.01 0.00 0.00 57.00 54.68 1jpl n GLN 55 Cb 0.33 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1jpl n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jpl s SER 56 N -0.84 6.01 0.29 1.08 0.15 -0.62 -4.91 113.70 114.86 1jpl s SER 56 Ca 0.35 2.45 0.26 0.00 0.70 0.00 0.00 55.95 59.70 1jpl s SER 56 Cb 0.21 -2.61 0.91 0.00 -1.71 0.00 0.00 66.02 62.81 1jpl s SER 56 CO 0.19 -1.04 1.76 -0.65 1.20 0.00 0.00 173.24 174.70 1jpl h PRO 57 N 2.02 0.00 -5.64 5.44 0.11 -1.92 -3.42 132.00 128.59 1jpl h PRO 57 Ca -0.50 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.98 1jpl h PRO 57 Cb 1.26 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.23 1jpl h PRO 57 CO 0.60 0.00 0.29 -1.14 -0.21 0.00 0.00 178.00 177.54 1jpl s GLN 58 N -3.27 3.35 0.20 1.05 -0.44 -1.26 -4.98 119.66 114.31 1jpl s GLN 58 Ca 0.06 -0.23 -0.15 0.00 -2.50 0.00 0.00 55.36 52.54 1jpl s GLN 58 Cb 0.10 -3.96 0.20 0.00 -1.64 0.00 0.00 33.01 27.72 1jpl s GLN 58 CO 0.51 -1.12 1.62 1.49 0.50 0.00 0.00 175.29 178.30 1jpl h GLU 59 N 8.97 -0.04 0.00 1.67 4.81 -1.99 -1.63 114.58 126.37 1jpl h GLU 59 Ca -0.25 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1jpl h GLU 59 Cb 1.09 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1jpl h GLU 59 CO 0.95 -0.03 -0.13 2.35 -0.73 0.00 0.00 179.01 181.42 1jpl h TRP 60 N -0.04 0.00 0.03 0.92 -0.00 -1.96 0.16 115.95 115.06 1jpl h TRP 60 Ca 0.28 0.00 -0.21 0.00 -0.00 0.00 0.00 58.89 58.96 1jpl h TRP 60 Cb 0.47 0.00 0.02 0.00 -0.00 0.00 0.00 29.16 29.65 1jpl h TRP 60 CO -0.52 0.13 -0.84 1.49 -0.00 0.00 0.00 178.44 178.70 1jpl h GLU 61 N 0.00 0.52 -0.16 2.65 4.81 -1.56 -2.71 114.58 118.13 1jpl h GLU 61 Ca -0.00 -0.60 -0.04 0.00 -0.13 0.00 0.00 59.36 58.59 1jpl h GLU 61 Cb 0.48 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 1jpl h GLU 61 CO 0.02 1.22 -0.06 0.00 -0.73 0.00 0.00 179.01 179.46 1jpl h ALA 62 N 0.32 0.22 -0.87 2.92 0.00 -1.02 -0.51 119.26 120.33 1jpl h ALA 62 Ca -0.11 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1jpl h ALA 62 Cb 1.54 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1jpl h ALA 62 CO 0.16 0.00 0.56 -0.07 0.00 0.00 0.00 179.25 179.91 1jpl h LEU 63 N 0.01 0.93 -0.66 0.00 3.38 -0.78 0.66 115.31 118.84 1jpl h LEU 63 Ca 0.04 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1jpl h LEU 63 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jpl h LEU 63 CO 0.02 0.64 0.11 1.56 0.09 0.00 0.00 178.44 180.86 1jpl h GLN 64 N 1.09 1.09 -0.84 1.13 4.20 -1.39 -1.69 115.11 118.69 1jpl h GLN 64 Ca 0.35 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.80 1jpl h GLN 64 Cb 0.01 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 1jpl h GLN 64 CO -0.12 1.00 0.55 0.00 -0.67 0.00 0.00 178.83 179.59 1jpl h ALA 65 N 1.04 1.49 -0.21 3.87 0.00 0.46 0.10 119.26 126.02 1jpl h ALA 65 Ca 0.20 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1jpl h ALA 65 Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jpl h ALA 65 CO 0.01 0.42 -0.35 -0.07 0.00 0.00 0.00 179.25 179.26 1jpl h LEU 66 N 1.03 0.47 -0.79 0.00 3.38 -0.37 0.49 115.31 119.51 1jpl h LEU 66 Ca 0.34 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1jpl h LEU 66 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jpl h LEU 66 CO -0.10 0.79 -0.39 0.74 0.09 0.00 0.00 178.44 179.56 1jpl h THR 67 N 0.39 1.30 -0.24 0.22 2.02 -0.33 -2.15 112.91 114.12 1jpl h THR 67 Ca 0.04 -1.53 -0.10 0.00 0.77 0.00 0.00 66.41 65.59 1jpl h THR 67 Cb 0.79 1.58 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1jpl h THR 67 CO 0.06 0.47 -0.25 0.58 0.37 0.00 0.00 175.52 176.76 1jpl h VAL 68 N 0.37 1.32 -0.53 3.16 2.07 -0.58 -2.39 116.25 119.67 1jpl h VAL 68 Ca 0.04 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.20 1jpl h VAL 68 Cb 0.85 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 1jpl h VAL 68 CO 0.07 0.44 0.22 0.25 0.02 0.00 0.00 177.57 178.58 1jpl h LEU 69 N 0.30 0.27 -0.71 2.57 5.85 -0.74 -0.98 115.31 121.86 1jpl h LEU 69 Ca 0.04 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1jpl h LEU 69 Cb 0.81 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1jpl h LEU 69 CO 0.06 0.18 0.00 1.05 -0.34 0.00 0.00 178.44 179.39 1jpl h GLU 70 N 0.43 0.00 -0.06 1.25 4.11 -1.31 -2.39 114.58 116.61 1jpl h GLU 70 Ca 0.25 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.47 1jpl h GLU 70 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1jpl h GLU 70 CO -0.22 0.00 -0.82 0.00 0.07 0.00 0.00 179.01 178.03 1jpl h ALA 71 N 2.08 0.46 0.00 1.06 0.00 -0.82 -2.37 119.26 119.67 1jpl h ALA 71 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1jpl h ALA 71 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1jpl h ALA 71 CO 0.00 0.77 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1jpl n LYS 74 N 1.21 0.00 0.00 0.00 5.02 -0.90 -0.72 118.16 122.78 1jpl n LYS 74 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1jpl n LYS 74 Cb 0.06 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.06 1jpl n LYS 74 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1jpl n ASN 75 N 0.00 0.27 -0.69 4.39 5.03 0.67 -4.73 115.26 120.20 1jpl n ASN 75 Ca 0.00 -0.63 0.07 0.00 0.87 0.00 0.00 54.58 54.88 1jpl n ASN 75 Cb 0.00 0.87 0.14 0.00 -1.02 0.00 0.00 39.78 39.77 1jpl n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jpl n GLY 77 N 0.72 0.78 0.40 0.00 0.00 -1.26 -3.37 105.19 102.46 1jpl n GLY 77 Ca 0.12 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1jpl n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1jpl h ARG 78 N 0.00 -0.15 -0.98 1.61 9.65 -1.98 0.04 114.38 122.57 1jpl h ARG 78 Ca 0.00 0.01 0.19 0.00 -1.10 0.00 0.00 59.98 59.08 1jpl h ARG 78 Cb 0.00 0.04 -0.18 0.00 -1.39 0.00 0.00 29.97 28.43 1jpl h ARG 78 CO 0.00 -0.10 -0.27 0.54 2.80 0.00 0.00 179.97 182.94 1jpl n ARG 79 N -5.39 -0.11 0.00 0.20 1.74 -1.26 -0.74 116.66 111.11 1jpl n ARG 79 Ca 0.03 1.53 -0.18 0.00 -0.77 0.00 0.00 57.85 58.46 1jpl n ARG 79 Cb 0.34 -2.28 -0.09 0.00 -1.02 0.00 0.00 32.46 29.41 1jpl n ARG 79 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1jpl h PHE 80 N 0.00 0.92 -0.82 -1.55 3.57 -1.25 -3.26 116.94 114.56 1jpl h PHE 80 Ca 0.45 -0.46 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1jpl h PHE 80 Cb 0.70 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1jpl h PHE 80 CO -0.77 1.28 0.54 0.45 -2.23 0.00 0.00 178.31 177.57 1jpl h HIS 81 N 0.29 0.95 -0.17 0.41 3.86 0.94 -2.11 115.15 119.32 1jpl h HIS 81 Ca -0.08 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1jpl h HIS 81 Cb 1.45 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1jpl h HIS 81 CO 0.11 0.53 -0.18 -0.91 0.86 0.00 0.00 177.93 178.34 1jpl h ASN 82 N 0.96 0.28 0.19 2.45 2.35 -1.01 -0.58 115.58 120.22 1jpl h ASN 82 Ca 0.34 -0.07 -0.25 0.00 -0.55 0.00 0.00 56.30 55.77 1jpl h ASN 82 Cb 0.12 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1jpl h ASN 82 CO -0.11 0.48 -1.03 -0.33 -1.65 0.00 0.00 177.43 174.79 1jpl h GLU 83 N 0.27 0.55 -0.10 0.81 4.39 -1.43 -3.17 114.58 115.89 1jpl h GLU 83 Ca 0.05 -0.61 -0.13 0.00 0.34 0.00 0.00 59.36 59.01 1jpl h GLU 83 Cb 0.47 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1jpl h GLU 83 CO 0.03 1.23 -0.50 0.28 -1.16 0.00 0.00 179.01 178.89 1jpl h VAL 84 N 0.30 1.34 0.00 3.13 2.07 -1.34 -3.12 116.25 118.63 1jpl h VAL 84 Ca -0.11 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.67 1jpl h VAL 84 Cb 1.68 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1jpl h VAL 84 CO 0.19 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.91 1jpl n GLY 85 N 0.04 1.76 3.38 2.17 0.00 -0.24 -4.16 105.19 108.15 1jpl n GLY 85 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1jpl n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jpl s LYS 86 N -0.10 1.41 0.47 1.61 1.02 -1.18 -4.54 119.74 118.44 1jpl s LYS 86 Ca 0.00 -1.32 0.21 0.00 0.02 0.00 0.00 55.97 54.88 1jpl s LYS 86 Cb 0.00 -1.87 1.19 0.00 -0.52 0.00 0.00 37.83 36.63 1jpl s LYS 86 CO 0.00 0.45 2.01 0.74 -0.92 0.00 0.00 175.35 177.63 1jpl h PHE 87 N 3.96 0.00 -0.99 3.18 0.04 -1.90 -1.04 116.94 120.19 1jpl h PHE 87 Ca -0.50 0.00 0.16 0.00 2.80 0.00 0.00 57.97 60.43 1jpl h PHE 87 Cb 1.17 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.23 1jpl h PHE 87 CO 0.59 0.18 0.62 -0.09 -0.60 0.00 0.00 178.31 179.01 1jpl h ARG 88 N 0.00 0.80 0.00 1.51 2.43 -1.94 0.31 114.38 117.50 1jpl h ARG 88 Ca -0.00 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 58.96 1jpl h ARG 88 Cb 0.37 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1jpl h ARG 88 CO 0.02 0.53 -1.07 0.34 -1.51 0.00 0.00 179.97 178.28 1jpl n PHE 89 N -4.68 0.91 -0.22 2.20 7.35 -0.91 -4.33 117.46 117.79 1jpl n PHE 89 Ca 0.21 0.39 0.28 0.00 -0.76 0.00 0.00 57.45 57.57 1jpl n PHE 89 Cb 0.49 -0.97 0.69 0.00 0.35 0.00 0.00 39.48 40.04 1jpl n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jpl h LEU 90 N -1.00 0.08 -0.94 -2.13 4.07 -1.06 -0.08 115.31 114.24 1jpl h LEU 90 Ca -0.24 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.62 1jpl h LEU 90 Cb 1.04 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 1jpl h LEU 90 CO -0.15 0.02 -0.52 0.78 -1.08 0.00 0.00 178.44 177.50 1jpl h ASN 91 N 0.07 0.03 0.67 -0.43 2.35 -0.57 -2.10 115.58 115.61 1jpl h ASN 91 Ca 0.46 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 56.15 1jpl h ASN 91 Cb 1.71 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 40.07 1jpl h ASN 91 CO -0.05 0.54 -0.25 -0.33 -1.65 0.00 0.00 177.43 175.69 1jpl h GLU 92 N 0.02 0.00 0.15 0.81 4.39 -1.20 -2.06 114.58 116.69 1jpl h GLU 92 Ca -0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 1jpl h GLU 92 Cb 0.92 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1jpl h GLU 92 CO 0.07 0.25 -1.27 -0.07 -1.16 0.00 0.00 179.01 176.83 1jpl h LEU 93 N 0.00 0.67 -1.16 1.33 3.38 -1.37 -3.22 115.31 114.94 1jpl h LEU 93 Ca -0.00 -0.67 -0.09 0.00 0.09 0.00 0.00 57.88 57.21 1jpl h LEU 93 Cb 0.66 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jpl h LEU 93 CO 0.03 1.50 -0.42 0.16 0.09 0.00 0.00 178.44 179.81 1jpl h ILE 94 N 0.17 1.28 -0.10 1.22 -0.00 -1.11 -2.72 117.51 116.25 1jpl h ILE 94 Ca -0.17 -1.43 -0.05 0.00 -0.00 0.00 0.00 64.86 63.20 1jpl h ILE 94 Cb 1.96 1.78 -0.01 0.00 -0.00 0.00 0.00 36.82 40.55 1jpl h ILE 94 CO 0.23 0.41 -0.17 0.11 -0.00 0.00 0.00 178.15 178.73 1jpl h LYS 95 N 0.00 0.17 0.00 0.16 1.57 -1.40 -1.43 116.57 115.64 1jpl h LYS 95 Ca -0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1jpl h LYS 95 Cb 0.74 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1jpl h LYS 95 CO 0.05 0.34 -0.31 -0.39 -0.57 0.00 0.00 179.45 178.57 1jpl h VAL 96 N 0.16 0.57 -0.02 0.50 -1.51 -1.49 -0.86 116.25 113.59 1jpl h VAL 96 Ca 0.03 -1.65 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 1jpl h VAL 96 Cb 0.40 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.72 1jpl h VAL 96 CO 0.03 0.31 -0.10 1.33 -1.23 0.00 0.00 177.57 177.90 1jpl n VAL 97 N -3.23 0.00 -4.03 7.19 0.24 -1.01 -3.44 118.33 114.06 1jpl n VAL 97 Ca 0.02 -0.45 -0.35 0.00 -2.04 0.00 0.00 64.34 61.52 1jpl n VAL 97 Cb 0.61 1.39 -0.11 0.00 -1.47 0.00 0.00 33.84 34.26 1jpl n VAL 97 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jpl s SER 98 N -1.85 5.29 0.52 -1.34 0.15 -0.57 -4.79 113.70 111.11 1jpl s SER 98 Ca 0.22 -0.05 0.21 0.00 0.70 0.00 0.00 55.95 57.03 1jpl s SER 98 Cb 0.17 -1.91 1.31 0.00 -1.71 0.00 0.00 66.02 63.88 1jpl s SER 98 CO 0.32 0.11 2.05 -0.65 1.20 0.00 0.00 173.24 176.26 1jpl h PRO 99 N 7.15 0.05 0.00 5.44 0.11 -1.88 0.11 132.00 142.99 1jpl h PRO 99 Ca -0.36 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1jpl h PRO 99 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jpl h PRO 99 CO 0.65 0.03 0.00 1.63 -0.21 0.00 0.00 178.00 180.10 1jpl n LYS 100 N -4.44 0.50 0.00 1.05 5.02 -1.26 -4.31 118.16 114.72 1jpl n LYS 100 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1jpl n LYS 100 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1jpl n LYS 100 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jpl n TYR 101 N -1.00 0.00 1.00 2.13 4.02 0.02 -5.00 117.16 118.33 1jpl n TYR 101 Ca 0.12 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.12 1jpl n TYR 101 Cb 0.05 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.32 1jpl n TYR 101 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1jpl n LEU 102 N 0.00 1.50 -0.28 7.72 4.77 -0.33 -4.61 117.00 125.76 1jpl n LEU 102 Ca 0.00 -0.62 0.08 0.00 -0.03 0.00 0.00 56.01 55.45 1jpl n LEU 102 Cb 0.00 -0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.30 1jpl n LEU 102 CO 0.00 0.31 0.85 1.23 -1.33 0.00 0.00 177.39 178.45 1jpl h GLY 103 N 4.93 1.04 2.00 -0.72 0.00 -0.89 -0.40 103.07 109.02 1jpl h GLY 103 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1jpl h GLY 103 CO 0.00 -0.34 -0.06 -0.55 0.00 0.00 0.00 176.54 175.59 1jpl h ASP 104 N 0.12 0.00 -0.31 0.19 3.32 -1.78 -3.04 116.42 114.92 1jpl h ASP 104 Ca 0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.53 1jpl h ASP 104 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1jpl h ASP 104 CO -0.70 0.06 0.00 0.54 -1.72 0.00 0.00 179.24 177.42 1jpl n ARG 105 N -4.00 3.04 -4.92 3.56 1.74 -0.19 -4.97 116.66 110.93 1jpl n ARG 105 Ca -0.03 -2.68 -0.31 0.00 -0.77 0.00 0.00 57.85 54.07 1jpl n ARG 105 Cb 0.15 -1.73 -0.14 0.00 -1.02 0.00 0.00 32.46 29.72 1jpl n ARG 105 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jpl s VAL 106 N -2.36 2.46 0.82 1.55 -7.23 -1.04 -4.96 120.40 109.63 1jpl s VAL 106 Ca 0.39 -1.17 -0.10 0.00 -1.81 0.00 0.00 61.98 59.28 1jpl s VAL 106 Cb 0.29 -1.96 0.09 0.00 0.56 0.00 0.00 36.38 35.36 1jpl s VAL 106 CO 0.11 0.44 1.11 -0.94 -0.31 0.00 0.00 175.10 175.51 1jpl s SER 107 N -1.09 3.95 0.29 4.85 1.04 -1.26 -4.86 113.70 116.62 1jpl s SER 107 Ca 0.12 1.96 0.04 0.00 0.48 0.00 0.00 55.95 58.55 1jpl s SER 107 Cb -0.10 -2.54 0.45 0.00 0.10 0.00 0.00 66.02 63.93 1jpl s SER 107 CO 0.02 -2.41 1.73 -0.08 0.98 0.00 0.00 173.24 173.48 1jpl h GLU 108 N -1.36 0.41 -0.54 4.02 4.57 -1.99 -2.00 114.58 117.69 1jpl h GLU 108 Ca -0.43 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 57.56 1jpl h GLU 108 Cb 1.24 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 1jpl h GLU 108 CO 0.48 0.66 0.23 -0.22 -1.18 0.00 0.00 179.01 178.97 1jpl h LYS 109 N 0.36 0.79 -0.07 1.92 3.64 -1.99 -1.51 116.57 119.71 1jpl h LYS 109 Ca 0.05 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1jpl h LYS 109 Cb 0.68 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1jpl h LYS 109 CO 0.05 0.68 -0.02 0.28 -2.27 0.00 0.00 179.45 178.17 1jpl h VAL 110 N 0.72 1.30 -0.47 2.00 2.07 -1.88 -2.58 116.25 117.40 1jpl h VAL 110 Ca 0.18 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1jpl h VAL 110 Cb 0.17 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1jpl h VAL 110 CO -0.02 0.26 0.28 0.11 0.02 0.00 0.00 177.57 178.22 1jpl h LYS 111 N -0.20 0.54 -0.17 1.57 1.57 -1.29 -1.60 116.57 116.99 1jpl h LYS 111 Ca 0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1jpl h LYS 111 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1jpl h LYS 111 CO 0.01 0.36 -0.09 1.79 -0.57 0.00 0.00 179.45 180.95 1jpl h THR 112 N 0.56 1.16 -0.18 -0.16 1.35 -1.30 -1.88 112.91 112.46 1jpl h THR 112 Ca 0.19 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.33 1jpl h THR 112 Cb 0.01 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 1jpl h THR 112 CO -0.08 0.22 -0.01 0.50 -0.25 0.00 0.00 175.52 175.90 1jpl h LYS 113 N 0.24 0.32 -0.13 4.72 1.63 -0.98 0.91 116.57 123.28 1jpl h LYS 113 Ca 0.05 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.79 1jpl h LYS 113 Cb 0.31 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.87 1jpl h LYS 113 CO 0.02 0.54 -0.16 0.28 -3.45 0.00 0.00 179.45 176.68 1jpl h VAL 114 N 0.06 0.58 -0.79 2.00 2.07 -0.79 0.16 116.25 119.55 1jpl h VAL 114 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1jpl h VAL 114 Cb 0.40 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1jpl h VAL 114 CO 0.01 0.00 0.44 0.40 0.02 0.00 0.00 177.57 178.44 1jpl h ILE 115 N -0.20 1.24 0.06 4.57 2.04 -1.30 0.00 117.51 123.92 1jpl h ILE 115 Ca 0.09 -0.58 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1jpl h ILE 115 Cb 0.33 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1jpl h ILE 115 CO -0.24 0.26 -0.04 -0.08 0.00 0.00 0.00 178.15 178.05 1jpl h GLU 116 N 1.10 -0.10 -0.45 2.37 4.81 -0.07 -0.38 114.58 121.86 1jpl h GLU 116 Ca 0.28 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1jpl h GLU 116 Cb 0.03 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1jpl h GLU 116 CO -0.05 -0.07 0.29 -0.07 -0.73 0.00 0.00 179.01 178.39 1jpl h LEU 117 N -0.10 0.51 -0.65 1.64 3.38 -0.31 -1.09 115.31 118.68 1jpl h LEU 117 Ca -0.00 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1jpl h LEU 117 Cb 0.09 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1jpl h LEU 117 CO 0.00 0.37 0.38 0.25 0.09 0.00 0.00 178.44 179.53 1jpl h LEU 118 N 0.60 0.59 -0.58 1.67 5.85 -0.74 -0.92 115.31 121.79 1jpl h LEU 118 Ca 0.17 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1jpl h LEU 118 Cb -0.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1jpl h LEU 118 CO -0.04 0.40 -0.09 0.22 -0.34 0.00 0.00 178.44 178.58 1jpl h TYR 119 N 0.73 1.16 -0.89 1.25 3.20 -0.78 -2.67 116.97 118.96 1jpl h TYR 119 Ca 0.28 -0.23 0.09 0.00 3.14 0.00 0.00 58.73 62.00 1jpl h TYR 119 Cb 0.11 -0.29 -0.07 0.00 1.54 0.00 0.00 36.73 38.02 1jpl h TYR 119 CO -0.07 1.06 0.54 0.77 -1.64 0.00 0.00 178.16 178.82 1jpl h SER 120 N 0.93 0.80 0.26 -2.11 0.02 -0.40 -1.96 113.55 111.09 1jpl h SER 120 Ca 0.15 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1jpl h SER 120 Cb 0.66 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1jpl h SER 120 CO 0.05 0.47 -0.35 -0.50 -1.14 0.00 0.00 176.83 175.36 1jpl h TRP 121 N 0.91 0.14 0.00 3.45 6.55 -0.93 0.44 115.95 126.52 1jpl h TRP 121 Ca 0.42 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.22 1jpl h TRP 121 Cb 0.32 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.59 1jpl h TRP 121 CO -0.04 0.46 0.00 0.25 -1.05 0.00 0.00 178.44 178.07 1jpl n THR 122 N -4.10 0.05 0.00 1.49 -2.24 -0.74 0.96 114.28 109.70 1jpl n THR 122 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1jpl n THR 122 Cb 0.41 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 1jpl n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jpl n ALA 124 N 0.29 0.00 -2.95 6.98 0.00 0.15 -3.87 120.51 121.11 1jpl n ALA 124 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 1jpl n ALA 124 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1jpl n ALA 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jpl n LEU 125 N -0.19 3.75 0.25 0.00 4.32 0.27 -4.90 117.00 120.51 1jpl n LEU 125 Ca 0.00 -5.49 0.18 0.00 -0.02 0.00 0.00 56.01 50.68 1jpl n LEU 125 Cb 0.00 -0.29 0.86 0.00 -1.62 0.00 0.00 43.42 42.37 1jpl n LEU 125 CO 0.00 2.32 1.15 -0.65 -1.22 0.00 0.00 177.39 178.99 1jpl h PRO 126 N 2.96 0.00 -0.30 3.23 0.11 -1.69 -1.18 132.00 135.12 1jpl h PRO 126 Ca 0.13 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 1jpl h PRO 126 Cb 0.63 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 1jpl h PRO 126 CO 0.75 0.00 -0.06 1.49 -0.21 0.00 0.00 178.00 179.97 1jpl h GLU 127 N 0.00 0.49 -5.73 1.05 4.81 -1.91 -3.37 114.58 109.92 1jpl h GLU 127 Ca 0.06 -0.12 -0.65 0.00 -0.13 0.00 0.00 59.36 58.53 1jpl h GLU 127 Cb 0.64 -0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.84 1jpl h GLU 127 CO -0.00 0.56 1.52 -1.21 -0.73 0.00 0.00 179.01 179.15 1jpl s GLU 128 N -4.85 3.73 0.19 1.92 0.41 -0.45 -4.86 118.70 114.79 1jpl s GLU 128 Ca -0.07 -1.57 -0.12 0.00 -0.41 0.00 0.00 54.97 52.80 1jpl s GLU 128 Cb 0.15 -5.29 0.17 0.00 -1.78 0.00 0.00 34.13 27.38 1jpl s GLU 128 CO 0.77 -2.10 1.80 0.00 -0.49 0.00 0.00 175.26 175.24 1jpl h ALA 129 N 8.88 0.75 -0.14 5.21 0.00 -1.84 -2.60 119.26 129.52 1jpl h ALA 129 Ca 0.26 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1jpl h ALA 129 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jpl h ALA 129 CO 1.36 -0.01 0.11 0.87 0.00 0.00 0.00 179.25 181.57 1jpl h LYS 130 N 0.60 0.00 -0.37 0.00 1.57 -1.89 0.68 116.57 117.16 1jpl h LYS 130 Ca 0.25 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 1jpl h LYS 130 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1jpl h LYS 130 CO -0.15 0.00 -0.31 0.82 -0.57 0.00 0.00 179.45 179.24 1jpl h ILE 131 N 0.00 1.28 -0.29 1.86 2.04 -1.74 -0.67 117.51 120.00 1jpl h ILE 131 Ca 0.06 -1.45 -0.06 0.00 1.00 0.00 0.00 64.86 64.41 1jpl h ILE 131 Cb 0.28 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1jpl h ILE 131 CO -0.00 0.48 -0.06 0.11 0.00 0.00 0.00 178.15 178.68 1jpl h LYS 132 N 0.68 0.55 -0.99 2.37 1.79 -1.04 -1.14 116.57 118.79 1jpl h LYS 132 Ca 0.08 -0.21 0.05 0.00 -2.18 0.00 0.00 60.65 58.38 1jpl h LYS 132 Cb 0.85 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.40 1jpl h LYS 132 CO 0.07 0.75 0.65 -0.44 -1.08 0.00 0.00 179.45 179.40 1jpl h ASP 133 N 0.32 1.06 -0.11 0.86 3.32 -0.72 0.11 116.42 121.26 1jpl h ASP 133 Ca 0.07 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1jpl h ASP 133 Cb 0.54 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1jpl h ASP 133 CO 0.03 0.71 -0.18 0.00 -1.72 0.00 0.00 179.24 178.08 1jpl h ALA 134 N 1.44 0.17 -0.64 3.45 0.00 -1.01 -3.25 119.26 119.42 1jpl h ALA 134 Ca 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jpl h ALA 134 Cb 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jpl h ALA 134 CO -0.14 0.08 0.31 -0.92 0.00 0.00 0.00 179.25 178.59 1jpl h TYR 135 N -0.12 0.91 0.00 0.00 3.20 -0.89 -2.56 116.97 117.51 1jpl h TYR 135 Ca 0.01 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1jpl h TYR 135 Cb 0.74 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1jpl h TYR 135 CO 0.10 0.68 0.00 0.72 -1.64 0.00 0.00 178.16 178.02 1jpl n HIS 136 N -4.50 0.00 0.00 -3.82 8.25 0.35 -2.10 115.22 113.41 1jpl n HIS 136 Ca 0.04 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1jpl n HIS 136 Cb 0.12 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1jpl n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jpl n LEU 138 N 0.73 0.00 0.08 2.41 4.77 -0.96 -0.01 117.00 124.01 1jpl n LEU 138 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1jpl n LEU 138 Cb 0.00 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1jpl n LEU 138 CO 0.00 0.00 -0.36 0.11 -1.33 0.00 0.00 177.39 175.81 1jpl h LYS 139 N 0.00 0.41 0.00 3.23 1.57 -1.64 -0.66 116.57 119.48 1jpl h LYS 139 Ca 0.00 -0.70 -0.04 0.00 -1.87 0.00 0.00 60.65 58.04 1jpl h LYS 139 Cb 0.00 0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1jpl h LYS 139 CO 0.00 1.33 -0.18 0.00 -0.57 0.00 0.00 179.45 180.03 1jpl h ARG 140 N -0.00 0.00 -0.16 3.15 3.08 -0.72 -2.04 114.38 117.69 1jpl h ARG 140 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1jpl h ARG 140 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.07 1jpl h ARG 140 CO 0.19 0.18 0.00 1.04 -1.07 0.00 0.00 179.97 180.31 1jpl n GLN 141 N -3.98 2.02 -0.94 0.04 1.13 -1.24 -4.96 117.38 109.46 1jpl n GLN 141 Ca -0.02 -1.52 0.00 0.00 -1.94 0.00 0.00 57.00 53.52 1jpl n GLN 141 Cb 0.27 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1jpl n GLN 141 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jpl n GLY 142 N 1.28 0.79 0.29 1.08 0.00 -0.77 -4.88 105.19 102.98 1jpl n GLY 142 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1jpl n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jpl h ILE 143 N 0.00 1.23 -3.71 -0.61 5.03 -1.41 -3.36 117.51 114.67 1jpl h ILE 143 Ca 0.00 -0.93 -0.69 0.00 -0.12 0.00 0.00 64.86 63.12 1jpl h ILE 143 Cb 0.02 0.86 -0.31 0.00 -3.03 0.00 0.00 36.82 34.37 1jpl h ILE 143 CO 0.00 0.33 -0.66 -0.69 -0.68 0.00 0.00 178.15 176.45 1jpl s VAL 144 N -5.01 3.39 -0.04 1.67 1.01 -0.65 -4.99 120.40 115.78 1jpl s VAL 144 Ca -0.09 -1.22 -0.25 0.00 0.00 0.00 0.00 61.98 60.42 1jpl s VAL 144 Cb 0.15 -2.92 -0.20 0.00 0.00 0.00 0.00 36.38 33.42 1jpl s VAL 144 CO 0.80 -0.12 1.09 1.56 0.00 0.00 0.00 175.10 178.43 1jpl h GLN 145 N 8.11 -0.08 -4.18 2.72 4.20 -1.88 -3.40 115.11 120.60 1jpl h GLN 145 Ca -0.23 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.34 1jpl h GLN 145 Cb 1.08 0.02 -0.17 0.00 0.30 0.00 0.00 27.48 28.70 1jpl h GLN 145 CO 0.57 0.45 -0.69 -1.54 -0.67 0.00 0.00 178.83 176.95 1jpl s SER 146 N -5.67 0.44 0.38 1.46 1.04 -1.26 -5.09 113.70 105.01 1jpl s SER 146 Ca -0.15 -0.84 -0.28 0.00 0.48 0.00 0.00 55.95 55.16 1jpl s SER 146 Cb 0.01 0.16 -0.11 0.00 0.10 0.00 0.00 66.02 66.18 1jpl s SER 146 CO 0.61 -0.50 1.47 -1.81 0.98 0.00 0.00 173.24 174.00 1jpl s ASP 147 N -2.45 6.32 0.43 7.02 1.01 -1.26 -5.00 116.67 122.73 1jpl s ASP 147 Ca -0.00 3.03 -0.00 0.00 0.71 0.00 0.00 52.55 56.28 1jpl s ASP 147 Cb 0.02 -2.67 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1jpl s ASP 147 CO -0.07 -0.89 0.65 -2.16 0.21 0.00 0.00 175.17 172.91 1jpl s PRO 148 N -2.12 3.20 0.48 8.23 0.04 -1.26 -5.08 135.00 138.49 1jpl s PRO 148 Ca 0.53 -0.40 -0.20 0.00 0.04 0.00 0.00 61.00 60.97 1jpl s PRO 148 Cb -0.46 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1jpl s PRO 148 CO 0.62 -0.16 1.00 -1.25 0.04 0.00 0.00 177.00 177.25 1jpl s PRO 149 N -4.51 3.96 0.13 0.56 0.04 -1.26 -5.01 135.00 128.91 1jpl s PRO 149 Ca 0.46 1.19 0.02 0.00 0.04 0.00 0.00 61.00 62.72 1jpl s PRO 149 Cb -0.10 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1jpl s PRO 149 CO 0.38 -0.28 -0.06 0.96 0.04 0.00 0.00 177.00 178.05 1jpl s ILE 150 N -2.19 0.82 0.54 0.56 -4.36 -1.26 -4.97 121.20 110.34 1jpl s ILE 150 Ca 0.64 -1.98 -0.22 0.00 -0.26 0.00 0.00 60.65 58.83 1jpl s ILE 150 Cb -0.12 -1.84 -0.05 0.00 1.25 0.00 0.00 42.46 41.70 1jpl s ILE 150 CO 0.20 -0.74 1.35 -2.84 0.24 0.00 0.00 174.94 173.15 1jpl s PRO 151 N -3.83 3.16 -0.00 0.37 0.02 -1.26 -5.01 135.00 128.44 1jpl s PRO 151 Ca 0.16 2.22 -0.10 0.00 0.02 0.00 0.00 61.00 63.30 1jpl s PRO 151 Cb 0.05 -2.26 0.01 0.00 0.02 0.00 0.00 34.50 32.32 1jpl s PRO 151 CO -0.01 -1.17 0.19 0.08 -0.33 0.00 0.00 177.00 175.76 1jpl s VAL 152 N -1.31 0.08 0.35 3.83 1.01 -1.26 -5.11 120.40 117.98 1jpl s VAL 152 Ca 0.71 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 1jpl s VAL 152 Cb -0.40 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.50 1jpl s VAL 152 CO 0.47 -0.34 0.55 1.51 0.00 0.00 0.00 175.10 177.29 1jpl s ASP 153 N -1.37 0.65 0.00 3.32 1.47 -1.26 -5.05 116.67 114.43 1jpl s ASP 153 Ca -0.14 -1.37 0.19 0.00 1.18 0.00 0.00 52.55 52.41 1jpl s ASP 153 Cb -0.07 0.70 0.99 0.00 -0.34 0.00 0.00 42.92 44.21 1jpl s ASP 153 CO 0.02 -1.38 1.59 0.54 0.68 0.00 0.00 175.17 176.63 1jpl n ARG 154 N -0.55 0.31 -0.19 2.11 1.74 -1.26 -2.37 116.66 116.46 1jpl n ARG 154 Ca -0.01 0.09 -0.02 0.00 -0.77 0.00 0.00 57.85 57.14 1jpl n ARG 154 Cb 0.61 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.60 1jpl n ARG 154 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1jpl n THR 155 N -1.25 1.01 -1.97 0.55 -2.24 -1.26 -5.33 114.28 103.79 1jpl n THR 155 Ca 0.10 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1jpl n THR 155 Cb 0.14 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 1jpl n THR 155 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68