#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jp3 n PRO 14 N 0.00 0.39 -0.35 1.96 -0.04 -1.26 -4.80 135.00 130.90 1jp3 n PRO 14 Ca 0.00 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1jp3 n PRO 14 Cb 0.00 -1.74 0.33 0.00 -0.04 0.00 0.00 33.50 32.04 1jp3 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jp3 h ALA 15 N -0.09 1.66 0.00 0.55 0.00 -1.96 0.12 119.26 119.54 1jp3 h ALA 15 Ca -0.45 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jp3 h ALA 15 Cb 1.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jp3 h ALA 15 CO 0.44 -0.10 0.00 1.12 0.00 0.00 0.00 179.25 180.71 1jp3 h HIS 16 N 0.71 0.00 0.00 0.00 -0.00 -1.90 -3.47 115.15 110.49 1jp3 h HIS 16 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.96 1jp3 h HIS 16 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1jp3 h HIS 16 CO -0.01 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.33 1jp3 n GLY 17 N 0.05 0.80 3.53 6.13 0.00 0.42 -3.75 105.19 112.36 1jp3 n GLY 17 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1jp3 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jp3 n ARG 19 N 1.29 0.60 -3.58 0.00 1.74 -1.26 -4.74 116.66 110.71 1jp3 n ARG 19 Ca -0.15 -0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 56.65 1jp3 n ARG 19 Cb 0.52 -1.41 -0.12 0.00 -1.02 0.00 0.00 32.46 30.43 1jp3 n ARG 19 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1jp3 s HIS 20 N -3.13 -0.51 -0.08 -1.55 5.04 -1.26 -0.98 115.29 112.82 1jp3 s HIS 20 Ca -0.06 0.88 0.00 0.00 -1.54 0.00 0.00 55.06 54.34 1jp3 s HIS 20 Cb 0.11 -0.04 -0.03 0.00 0.04 0.00 0.00 32.58 32.65 1jp3 s HIS 20 CO 0.72 -0.47 -0.08 0.08 -2.34 0.00 0.00 174.74 172.65 1jp3 s VAL 21 N 2.45 3.62 -0.03 0.89 1.01 -0.76 -0.84 120.40 126.74 1jp3 s VAL 21 Ca 0.04 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1jp3 s VAL 21 Cb -0.13 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1jp3 s VAL 21 CO -0.11 0.58 -0.24 0.00 0.00 0.00 0.00 175.10 175.33 1jp3 s ALA 22 N -0.57 2.23 -0.05 5.51 0.00 0.59 -0.94 121.76 128.53 1jp3 s ALA 22 Ca 0.08 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1jp3 s ALA 22 Cb -0.12 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1jp3 s ALA 22 CO 0.02 0.53 -0.12 0.42 0.00 0.00 0.00 175.76 176.61 1jp3 s ILE 23 N -0.62 1.09 0.10 0.00 1.01 0.11 -0.31 121.20 122.58 1jp3 s ILE 23 Ca 0.10 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1jp3 s ILE 23 Cb -0.10 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1jp3 s ILE 23 CO -0.01 0.33 0.13 -0.38 0.00 0.00 0.00 174.94 175.02 1jp3 n ILE 24 N 3.51 0.00 0.00 2.92 5.41 0.60 -0.81 119.36 130.99 1jp3 n ILE 24 Ca -0.21 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1jp3 n ILE 24 Cb 0.53 -1.05 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 1jp3 n ILE 24 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1jp3 n ASP 26 N -2.93 0.00 0.00 4.38 2.03 -1.25 -2.03 116.55 116.75 1jp3 n ASP 26 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1jp3 n ASP 26 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1jp3 n ASP 26 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jp3 n GLY 27 N -1.44 1.06 0.08 0.27 0.00 -1.26 -1.62 105.19 102.28 1jp3 n GLY 27 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jp3 n GLY 27 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jp3 h ASN 28 N 0.00 -0.08 -0.36 1.61 -0.26 -1.94 0.03 115.58 114.58 1jp3 h ASN 28 Ca 0.00 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 1jp3 h ASN 28 Cb 0.00 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.31 1jp3 h ASN 28 CO 0.00 -0.02 0.12 1.23 -1.06 0.00 0.00 177.43 177.70 1jp3 h GLY 29 N 0.03 0.59 1.44 2.83 0.00 -1.89 -2.07 103.07 104.00 1jp3 h GLY 29 Ca 0.07 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1jp3 h GLY 29 CO -0.12 0.32 0.03 3.21 0.00 0.00 0.00 176.54 179.98 1jp3 h ARG 30 N 0.43 0.70 -0.58 4.80 3.08 -1.95 -0.69 114.38 120.16 1jp3 h ARG 30 Ca 0.12 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1jp3 h ARG 30 Cb 0.24 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1jp3 h ARG 30 CO -0.01 0.69 0.32 2.35 -1.07 0.00 0.00 179.97 182.26 1jp3 h TRP 31 N 0.66 0.78 -0.35 3.04 7.01 -0.74 -1.46 115.95 124.89 1jp3 h TRP 31 Ca 0.14 -0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.95 1jp3 h TRP 31 Cb 0.37 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1jp3 h TRP 31 CO 0.02 0.56 -0.44 0.00 -2.79 0.00 0.00 178.44 175.79 1jp3 h ALA 32 N 1.15 0.54 -0.71 2.65 0.00 -0.84 -2.94 119.26 119.11 1jp3 h ALA 32 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jp3 h ALA 32 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1jp3 h ALA 32 CO -0.03 0.68 0.45 -0.22 0.00 0.00 0.00 179.25 180.13 1jp3 h LYS 33 N 0.73 0.95 -0.21 0.00 3.64 -0.97 0.19 116.57 120.90 1jp3 h LYS 33 Ca 0.05 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1jp3 h LYS 33 Cb 1.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1jp3 h LYS 33 CO 0.10 0.65 -0.07 0.87 -2.27 0.00 0.00 179.45 178.74 1jp3 h LYS 34 N 0.97 0.32 -0.00 1.90 1.57 -1.10 -1.51 116.57 118.72 1jp3 h LYS 34 Ca 0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1jp3 h LYS 34 Cb -0.07 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1jp3 h LYS 34 CO -0.05 0.40 -0.15 1.04 -0.57 0.00 0.00 179.45 180.12 1jp3 n GLN 35 N -4.30 0.08 -1.77 3.15 1.13 -0.35 -4.91 117.38 110.41 1jp3 n GLN 35 Ca -0.00 -0.02 -0.02 0.00 -1.94 0.00 0.00 57.00 55.02 1jp3 n GLN 35 Cb 0.24 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.09 1jp3 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jp3 n GLY 36 N 1.47 0.36 3.51 1.08 0.00 -0.45 -5.04 105.19 106.12 1jp3 n GLY 36 Ca 0.08 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 1jp3 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jp3 s LYS 37 N -3.56 1.83 0.80 1.61 1.02 0.51 -5.00 119.74 116.95 1jp3 s LYS 37 Ca 0.00 -1.61 -0.11 0.00 0.02 0.00 0.00 55.97 54.27 1jp3 s LYS 37 Cb 0.00 -1.90 0.07 0.00 -0.52 0.00 0.00 37.83 35.48 1jp3 s LYS 37 CO 0.00 0.36 1.09 0.96 -0.92 0.00 0.00 175.35 176.83 1jp3 s ILE 38 N -2.29 3.20 0.42 2.17 -4.36 -1.26 -3.58 121.20 115.50 1jp3 s ILE 38 Ca 0.29 0.39 0.12 0.00 -0.26 0.00 0.00 60.65 61.19 1jp3 s ILE 38 Cb -0.06 -2.92 0.32 0.00 1.25 0.00 0.00 42.46 41.05 1jp3 s ILE 38 CO 0.15 -0.51 1.97 0.03 0.24 0.00 0.00 174.94 176.82 1jp3 h ARG 39 N -1.20 0.47 -0.24 0.37 3.08 -1.93 -1.72 114.38 113.21 1jp3 h ARG 39 Ca -0.45 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.59 1jp3 h ARG 39 Cb 1.25 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 1jp3 h ARG 39 CO 0.53 0.31 0.17 0.00 -1.07 0.00 0.00 179.97 179.91 1jp3 h ALA 40 N 1.67 1.95 -0.31 0.04 0.00 -1.96 0.51 119.26 121.16 1jp3 h ALA 40 Ca 0.30 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1jp3 h ALA 40 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jp3 h ALA 40 CO -0.09 0.02 -0.23 0.35 0.00 0.00 0.00 179.25 179.29 1jp3 h PHE 41 N 0.23 0.66 -0.07 0.00 3.57 -1.67 -1.31 116.94 118.34 1jp3 h PHE 41 Ca 0.10 -0.14 -0.17 0.00 3.53 0.00 0.00 57.97 61.29 1jp3 h PHE 41 Cb 0.12 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1jp3 h PHE 41 CO -0.00 0.77 -0.67 0.78 -2.23 0.00 0.00 178.31 176.96 1jp3 h GLY 42 N 1.00 0.34 1.79 2.40 0.00 -1.00 -1.71 103.07 105.89 1jp3 h GLY 42 Ca 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1jp3 h GLY 42 CO 0.05 0.41 -0.33 0.45 0.00 0.00 0.00 176.54 177.12 1jp3 h HIS 43 N 0.22 0.27 -0.25 5.60 3.86 -0.84 0.27 115.15 124.28 1jp3 h HIS 43 Ca -0.02 -0.06 -0.17 0.00 -1.16 0.00 0.00 60.37 58.96 1jp3 h HIS 43 Cb 1.22 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1jp3 h HIS 43 CO 0.03 0.55 -0.52 0.87 0.86 0.00 0.00 177.93 179.72 1jp3 h LYS 44 N 0.21 0.80 -0.23 2.45 1.57 -1.09 -0.65 116.57 119.63 1jp3 h LYS 44 Ca 0.03 -0.52 -0.06 0.00 -1.87 0.00 0.00 60.65 58.23 1jp3 h LYS 44 Cb 0.70 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1jp3 h LYS 44 CO 0.05 1.15 -0.10 0.00 -0.57 0.00 0.00 179.45 179.98 1jp3 h ALA 45 N 0.64 1.40 -0.53 3.86 0.00 -0.97 -1.99 119.26 121.66 1jp3 h ALA 45 Ca 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1jp3 h ALA 45 Cb 1.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1jp3 h ALA 45 CO 0.12 0.42 0.16 0.78 0.00 0.00 0.00 179.25 180.72 1jp3 h GLY 46 N 0.83 0.89 1.24 0.00 0.00 -0.11 -1.39 103.07 104.53 1jp3 h GLY 46 Ca 0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1jp3 h GLY 46 CO 0.02 0.50 0.38 0.00 0.00 0.00 0.00 176.54 177.45 1jp3 h ALA 47 N 1.02 1.33 -0.51 3.60 0.00 -0.49 -0.94 119.26 123.27 1jp3 h ALA 47 Ca 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1jp3 h ALA 47 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jp3 h ALA 47 CO -0.00 0.55 0.00 0.87 0.00 0.00 0.00 179.25 180.66 1jp3 h LYS 48 N 1.00 0.86 -0.28 0.00 1.57 -0.97 -2.27 116.57 116.48 1jp3 h LYS 48 Ca 0.25 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1jp3 h LYS 48 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1jp3 h LYS 48 CO -0.04 0.86 -0.13 1.03 -0.57 0.00 0.00 179.45 180.60 1jp3 h SER 49 N 0.80 0.46 -0.28 0.86 0.87 -0.44 -2.10 113.55 113.72 1jp3 h SER 49 Ca 0.15 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 1jp3 h SER 49 Cb 0.47 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1jp3 h SER 49 CO 0.02 0.62 0.12 0.58 -0.53 0.00 0.00 176.83 177.64 1jp3 h VAL 50 N 0.44 1.17 -0.76 2.23 2.07 -0.74 -0.47 116.25 120.19 1jp3 h VAL 50 Ca 0.08 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1jp3 h VAL 50 Cb 0.49 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1jp3 h VAL 50 CO 0.03 0.18 0.44 0.03 0.02 0.00 0.00 177.57 178.27 1jp3 h ARG 51 N 0.31 1.03 -0.43 1.57 3.08 -1.04 -0.04 114.38 118.85 1jp3 h ARG 51 Ca 0.09 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1jp3 h ARG 51 Cb 0.17 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1jp3 h ARG 51 CO -0.01 0.73 -0.20 -0.09 -1.07 0.00 0.00 179.97 179.33 1jp3 h ARG 52 N 1.04 0.85 -0.42 0.04 2.43 -1.15 -2.03 114.38 115.14 1jp3 h ARG 52 Ca 0.27 -0.34 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 1jp3 h ARG 52 Cb -0.02 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1jp3 h ARG 52 CO -0.05 0.97 -0.19 0.00 -1.51 0.00 0.00 179.97 179.20 1jp3 h ALA 53 N 1.03 0.59 -0.40 2.80 0.00 -0.51 -1.38 119.26 121.39 1jp3 h ALA 53 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1jp3 h ALA 53 Cb 0.73 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1jp3 h ALA 53 CO 0.06 0.54 0.19 0.28 0.00 0.00 0.00 179.25 180.32 1jp3 h VAL 54 N 0.69 1.17 -0.53 0.00 2.07 -0.92 0.46 116.25 119.19 1jp3 h VAL 54 Ca 0.10 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 1jp3 h VAL 54 Cb 0.74 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1jp3 h VAL 54 CO 0.06 0.18 -0.05 0.28 0.02 0.00 0.00 177.57 178.06 1jp3 h SER 55 N 0.50 0.93 -0.27 0.57 0.02 -1.28 -1.39 113.55 112.64 1jp3 h SER 55 Ca 0.14 -0.27 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1jp3 h SER 55 Cb 0.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1jp3 h SER 55 CO -0.02 1.01 0.08 0.15 -1.14 0.00 0.00 176.83 176.92 1jp3 h PHE 56 N 0.86 0.43 -0.42 3.45 3.57 -1.03 -0.37 116.94 123.42 1jp3 h PHE 56 Ca 0.15 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jp3 h PHE 56 Cb 0.57 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1jp3 h PHE 56 CO 0.04 0.46 0.24 0.00 -2.23 0.00 0.00 178.31 176.82 1jp3 h ALA 57 N 0.92 0.53 -0.70 2.41 0.00 -0.66 -0.98 119.26 120.78 1jp3 h ALA 57 Ca 0.09 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jp3 h ALA 57 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1jp3 h ALA 57 CO -0.00 0.04 0.28 0.00 0.00 0.00 0.00 179.25 179.57 1jp3 h ALA 58 N 1.10 0.91 0.00 0.00 0.00 -1.14 -1.91 119.26 118.22 1jp3 h ALA 58 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jp3 h ALA 58 Cb 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1jp3 h ALA 58 CO -0.03 0.53 0.00 -0.91 0.00 0.00 0.00 179.25 178.84 1jp3 h ASN 59 N 1.00 0.00 -0.44 0.00 2.35 -0.73 -2.95 115.58 114.82 1jp3 h ASN 59 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1jp3 h ASN 59 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1jp3 h ASN 59 CO -0.02 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.35 1jp3 n ASN 60 N -2.35 4.69 -1.22 5.81 3.02 -0.40 -4.96 115.26 119.85 1jp3 n ASN 60 Ca 0.02 -2.87 -0.15 0.00 -0.03 0.00 0.00 54.58 51.56 1jp3 n ASN 60 Cb 0.27 -0.59 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 1jp3 n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jp3 n GLY 61 N 0.19 1.27 3.73 7.41 0.00 -1.11 -4.90 105.19 111.78 1jp3 n GLY 61 Ca 0.24 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1jp3 n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jp3 s ILE 62 N -2.58 4.12 0.04 -0.61 1.01 -0.78 -4.74 121.20 117.66 1jp3 s ILE 62 Ca 0.00 1.79 -0.16 0.00 0.00 0.00 0.00 60.65 62.28 1jp3 s ILE 62 Cb 0.00 -4.14 -0.27 0.00 0.01 0.00 0.00 42.46 38.06 1jp3 s ILE 62 CO 0.00 0.29 1.11 -0.33 0.00 0.00 0.00 174.94 176.01 1jp3 h GLU 63 N 5.33 0.59 -3.80 2.79 5.08 -1.35 -3.43 114.58 119.78 1jp3 h GLU 63 Ca -0.44 -0.72 -0.19 0.00 -1.00 0.00 0.00 59.36 57.02 1jp3 h GLU 63 Cb 1.21 0.22 -0.23 0.00 0.50 0.00 0.00 28.75 30.45 1jp3 h GLU 63 CO 0.72 1.31 -0.67 0.00 -1.00 0.00 0.00 179.01 179.37 1jp3 s ALA 64 N -3.08 -0.01 -0.07 3.43 0.00 -0.76 -1.32 121.76 119.95 1jp3 s ALA 64 Ca -0.11 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1jp3 s ALA 64 Cb 0.05 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1jp3 s ALA 64 CO 0.90 -0.11 -0.05 -1.17 0.00 0.00 0.00 175.76 175.33 1jp3 s LEU 65 N -0.90 1.14 -0.15 0.00 2.96 -0.02 -1.82 118.68 119.89 1jp3 s LEU 65 Ca -0.10 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1jp3 s LEU 65 Cb -0.06 -0.58 0.01 0.00 0.50 0.00 0.00 46.19 46.06 1jp3 s LEU 65 CO -0.00 -0.09 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.83 1jp3 s THR 66 N 1.33 2.13 -0.11 3.68 2.01 -0.12 -0.14 115.64 124.43 1jp3 s THR 66 Ca -0.04 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1jp3 s THR 66 Cb -0.14 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1jp3 s THR 66 CO -0.03 0.54 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.54 1jp3 s LEU 67 N 0.90 2.64 -0.19 4.42 1.43 0.22 0.09 118.68 128.20 1jp3 s LEU 67 Ca -0.05 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 1jp3 s LEU 67 Cb -0.15 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.53 1jp3 s LEU 67 CO -0.04 0.21 -0.14 -0.47 0.23 0.00 0.00 176.35 176.14 1jp3 s TYR 68 N 0.11 2.51 -0.51 0.29 6.14 0.01 -1.23 117.35 124.66 1jp3 s TYR 68 Ca -0.07 -1.57 -0.26 0.00 0.64 0.00 0.00 57.07 55.81 1jp3 s TYR 68 Cb -0.15 -1.72 0.03 0.00 0.42 0.00 0.00 41.96 40.54 1jp3 s TYR 68 CO 0.05 -0.75 1.02 0.00 0.64 0.00 0.00 175.55 176.51 1jp3 s ALA 69 N 1.37 3.15 0.04 3.97 0.00 -1.26 -4.33 121.76 124.70 1jp3 s ALA 69 Ca 0.01 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 1jp3 s ALA 69 Cb -0.15 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 1jp3 s ALA 69 CO -0.10 -2.31 1.06 0.12 0.00 0.00 0.00 175.76 174.54 1jp3 s PHE 70 N 4.18 3.59 0.00 0.00 5.36 -1.26 -5.08 117.98 124.78 1jp3 s PHE 70 Ca 0.38 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 1jp3 s PHE 70 Cb -0.10 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.36 1jp3 s PHE 70 CO 0.25 -0.46 0.00 -1.13 -1.46 0.00 0.00 175.22 172.43 1jp3 n SER 71 N 3.69 0.00 0.00 6.13 3.41 -1.26 -4.79 113.62 120.80 1jp3 n SER 71 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1jp3 n SER 71 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1jp3 n SER 71 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1jp3 n GLU 87 N 0.00 0.00 -0.24 4.33 4.07 -1.26 -5.22 120.64 122.31 1jp3 n GLU 87 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 1jp3 n GLU 87 Cb 0.00 0.00 0.17 0.00 -0.06 0.00 0.00 31.44 31.55 1jp3 n GLU 87 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1jp3 h LEU 88 N 0.00 0.06 -0.09 4.31 5.85 -2.04 0.45 115.31 123.86 1jp3 h LEU 88 Ca 0.00 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1jp3 h LEU 88 Cb 0.00 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1jp3 h LEU 88 CO 0.00 -0.01 -0.32 0.15 -0.34 0.00 0.00 178.44 177.92 1jp3 h PHE 89 N 0.30 -0.88 -0.20 1.25 3.57 -2.04 1.05 116.94 119.99 1jp3 h PHE 89 Ca 0.40 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.98 1jp3 h PHE 89 Cb 0.67 0.40 -0.04 0.00 2.79 0.00 0.00 35.95 39.77 1jp3 h PHE 89 CO -0.24 -0.40 -0.04 0.28 -2.23 0.00 0.00 178.31 175.67 1jp3 h VAL 90 N -0.42 0.80 0.60 1.41 2.07 -1.34 -1.37 116.25 118.01 1jp3 h VAL 90 Ca 0.08 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1jp3 h VAL 90 Cb 0.55 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1jp3 h VAL 90 CO -0.32 0.00 -0.29 -0.25 0.02 0.00 0.00 177.57 176.73 1jp3 h TRP 91 N 0.01 -0.75 -0.16 1.57 7.01 0.50 -3.23 115.95 120.90 1jp3 h TRP 91 Ca 0.10 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.13 1jp3 h TRP 91 Cb 0.15 0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1jp3 h TRP 91 CO -0.21 -0.42 0.19 0.00 -2.79 0.00 0.00 178.44 175.20 1jp3 h ALA 92 N -0.93 1.75 -0.28 2.65 0.00 0.11 -3.30 119.26 119.25 1jp3 h ALA 92 Ca -0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jp3 h ALA 92 Cb 0.67 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1jp3 h ALA 92 CO 0.14 -0.27 -0.18 1.25 0.00 0.00 0.00 179.25 180.18 1jp3 h LEU 93 N 0.00 -0.66 0.27 0.00 5.85 -1.26 0.23 115.31 119.74 1jp3 h LEU 93 Ca 0.08 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1jp3 h LEU 93 Cb 0.45 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1jp3 h LEU 93 CO -0.00 -0.08 -0.43 -0.78 -0.34 0.00 0.00 178.44 176.81 1jp3 h ASP 94 N -0.02 -1.23 -0.77 1.25 1.82 -1.79 0.10 116.42 115.79 1jp3 h ASP 94 Ca 0.05 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 1jp3 h ASP 94 Cb 0.13 0.43 -0.03 0.00 0.68 0.00 0.00 39.33 40.54 1jp3 h ASP 94 CO -0.28 -0.51 0.33 0.77 -1.61 0.00 0.00 179.24 177.94 1jp3 h SER 95 N -0.74 1.05 -0.62 2.28 4.64 -1.76 -2.48 113.55 115.92 1jp3 h SER 95 Ca -0.03 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.05 1jp3 h SER 95 Cb 0.68 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1jp3 h SER 95 CO -0.14 0.92 0.10 -0.33 -0.87 0.00 0.00 176.83 176.51 1jp3 h GLU 96 N 1.11 1.03 -0.52 4.77 4.39 -0.45 -2.75 114.58 122.14 1jp3 h GLU 96 Ca 0.26 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1jp3 h GLU 96 Cb 0.19 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1jp3 h GLU 96 CO -0.02 0.96 0.15 0.28 -1.16 0.00 0.00 179.01 179.21 1jp3 h VAL 97 N 0.94 1.21 -0.53 3.13 2.07 -0.61 -0.59 116.25 121.87 1jp3 h VAL 97 Ca 0.19 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 1jp3 h VAL 97 Cb 0.43 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1jp3 h VAL 97 CO 0.01 0.28 -0.03 0.11 0.02 0.00 0.00 177.57 177.96 1jp3 h LYS 98 N 0.76 0.92 -0.40 1.57 1.57 -1.25 0.05 116.57 119.79 1jp3 h LYS 98 Ca 0.17 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1jp3 h LYS 98 Cb 0.25 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1jp3 h LYS 98 CO -0.01 0.93 -0.13 1.03 -0.57 0.00 0.00 179.45 180.71 1jp3 h SER 99 N 0.84 0.80 -0.80 0.86 0.87 -1.12 -1.47 113.55 113.54 1jp3 h SER 99 Ca 0.15 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 1jp3 h SER 99 Cb 0.54 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.25 1jp3 h SER 99 CO 0.03 1.00 0.33 -0.07 -0.53 0.00 0.00 176.83 177.59 1jp3 h LEU 100 N 0.60 1.09 -0.58 2.23 3.38 -0.92 -1.99 115.31 119.12 1jp3 h LEU 100 Ca 0.10 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1jp3 h LEU 100 Cb 0.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1jp3 h LEU 100 CO 0.05 0.96 0.11 -0.74 0.09 0.00 0.00 178.44 178.90 1jp3 h HIS 101 N 1.16 1.00 0.00 1.13 2.76 -0.75 -1.04 115.15 119.41 1jp3 h HIS 101 Ca 0.27 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1jp3 h HIS 101 Cb 0.19 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1jp3 h HIS 101 CO 0.02 0.87 0.00 0.00 -1.30 0.00 0.00 177.93 177.52 1jp3 h ARG 102 N 0.85 0.00 -0.67 5.26 3.08 -0.99 -1.19 114.38 120.73 1jp3 h ARG 102 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1jp3 h ARG 102 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1jp3 h ARG 102 CO 0.01 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.63 1jp3 n HIS 103 N -2.74 1.37 -2.85 3.04 8.25 -0.49 -4.94 115.22 116.87 1jp3 n HIS 103 Ca 0.00 -0.56 -0.22 0.00 -0.26 0.00 0.00 57.72 56.68 1jp3 n HIS 103 Cb 0.22 -0.20 0.02 0.00 1.12 0.00 0.00 29.99 31.15 1jp3 n HIS 103 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jp3 n ASN 104 N 1.17 -6.07 -4.81 0.41 5.15 -0.45 -4.83 115.26 105.83 1jp3 n ASN 104 Ca 0.25 -0.22 -0.37 0.00 -0.60 0.00 0.00 54.58 53.64 1jp3 n ASN 104 Cb 0.83 -4.93 -0.06 0.00 -0.53 0.00 0.00 39.78 35.08 1jp3 n ASN 104 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1jp3 s VAL 105 N -3.14 5.19 -0.22 3.44 1.01 -0.62 -0.44 120.40 125.62 1jp3 s VAL 105 Ca 0.22 0.66 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 1jp3 s VAL 105 Cb -0.10 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 1jp3 s VAL 105 CO 0.27 0.52 0.39 -0.60 0.00 0.00 0.00 175.10 175.69 1jp3 s ARG 106 N -0.58 4.13 -0.16 2.72 3.52 0.46 -4.49 118.95 124.54 1jp3 s ARG 106 Ca 0.21 0.16 -0.08 0.00 -0.13 0.00 0.00 55.73 55.88 1jp3 s ARG 106 Cb -0.15 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 1jp3 s ARG 106 CO 0.09 -0.10 0.11 -1.17 -0.81 0.00 0.00 175.30 173.42 1jp3 s LEU 107 N 1.50 4.12 -0.01 -0.88 2.96 -1.26 -0.34 118.68 124.76 1jp3 s LEU 107 Ca 0.18 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1jp3 s LEU 107 Cb -0.15 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1jp3 s LEU 107 CO 0.08 0.26 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.23 1jp3 s ARG 108 N -0.12 0.25 -0.19 1.98 1.81 -0.48 -4.41 118.95 117.79 1jp3 s ARG 108 Ca 0.09 -0.01 -0.10 0.00 -1.72 0.00 0.00 55.73 53.98 1jp3 s ARG 108 Cb -0.12 -0.33 -0.05 0.00 -0.45 0.00 0.00 34.95 34.01 1jp3 s ARG 108 CO 0.00 -0.03 0.16 0.42 -0.68 0.00 0.00 175.30 175.17 1jp3 s ILE 109 N 0.44 5.40 0.05 1.52 -1.09 -1.26 -0.99 121.20 125.27 1jp3 s ILE 109 Ca -0.04 0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.70 1jp3 s ILE 109 Cb -0.07 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.28 1jp3 s ILE 109 CO -0.01 0.44 -0.16 0.27 -1.23 0.00 0.00 174.94 174.26 1jp3 s ILE 110 N 0.28 2.96 0.00 2.92 -4.36 -0.15 -4.91 121.20 117.93 1jp3 s ILE 110 Ca 0.10 -1.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 1jp3 s ILE 110 Cb -0.11 -2.29 0.00 0.00 1.25 0.00 0.00 42.46 41.31 1jp3 s ILE 110 CO -0.01 0.28 0.00 0.61 0.24 0.00 0.00 174.94 176.07 1jp3 n GLY 111 N 1.34 1.19 3.44 6.27 0.00 -1.26 -0.44 105.19 115.74 1jp3 n GLY 111 Ca -0.16 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 1jp3 n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jp3 s ASP 112 N 0.00 6.31 0.00 1.61 2.15 -0.35 -4.79 116.67 121.60 1jp3 s ASP 112 Ca 0.00 -1.35 0.21 0.00 0.43 0.00 0.00 52.55 51.83 1jp3 s ASP 112 Cb 0.00 -2.40 0.27 0.00 -0.30 0.00 0.00 42.92 40.49 1jp3 s ASP 112 CO 0.00 -1.29 1.25 0.35 -0.17 0.00 0.00 175.17 175.30 1jp3 n THR 113 N 5.76 0.26 0.27 1.71 -2.24 -1.26 -4.55 114.28 114.23 1jp3 n THR 113 Ca 0.04 -0.63 0.18 0.00 -2.27 0.00 0.00 64.05 61.37 1jp3 n THR 113 Cb 0.46 1.20 0.88 0.00 -2.10 0.00 0.00 70.33 70.77 1jp3 n THR 113 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1jp3 h SER 114 N 4.05 0.00 -0.01 3.42 4.64 -1.99 -0.97 113.55 122.69 1jp3 h SER 114 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jp3 h SER 114 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1jp3 h SER 114 CO 0.00 0.00 -0.20 -1.14 -0.87 0.00 0.00 176.83 174.62 1jp3 n ARG 115 N -3.24 1.61 -1.50 4.77 0.63 -1.26 -4.96 116.66 112.70 1jp3 n ARG 115 Ca 0.00 -0.89 -0.35 0.00 -0.92 0.00 0.00 57.85 55.69 1jp3 n ARG 115 Cb 0.35 -1.21 0.09 0.00 0.45 0.00 0.00 32.46 32.14 1jp3 n ARG 115 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 1jp3 s PHE 116 N -1.53 2.04 0.67 -0.14 0.40 -0.37 -4.92 117.98 114.13 1jp3 s PHE 116 Ca 0.13 1.58 -0.16 0.00 -0.60 0.00 0.00 56.93 57.88 1jp3 s PHE 116 Cb 0.11 -3.53 0.01 0.00 0.51 0.00 0.00 43.02 40.12 1jp3 s PHE 116 CO 0.29 -2.70 1.15 0.54 0.70 0.00 0.00 175.22 175.21 1jp3 s ASN 117 N -1.86 4.83 0.44 1.36 2.20 -1.26 -4.71 114.94 115.94 1jp3 s ASN 117 Ca 0.76 2.17 0.18 0.00 -0.94 0.00 0.00 52.86 55.03 1jp3 s ASN 117 Cb -0.31 -2.57 1.12 0.00 -2.00 0.00 0.00 41.25 37.48 1jp3 s ASN 117 CO 0.44 -1.82 1.91 0.77 -2.94 0.00 0.00 177.10 175.45 1jp3 h SER 118 N 0.06 0.33 -0.47 3.54 4.64 -1.97 -1.09 113.55 118.59 1jp3 h SER 118 Ca -0.48 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 1jp3 h SER 118 Cb 1.27 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1jp3 h SER 118 CO 0.53 0.16 0.06 -0.09 -0.87 0.00 0.00 176.83 176.62 1jp3 h ARG 119 N 0.35 0.79 -0.23 4.77 2.43 -1.99 -0.36 114.38 120.14 1jp3 h ARG 119 Ca 0.39 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1jp3 h ARG 119 Cb 0.99 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1jp3 h ARG 119 CO -0.11 0.81 -0.11 1.25 -1.51 0.00 0.00 179.97 180.29 1jp3 h LEU 120 N 0.65 0.49 -1.23 3.80 5.85 -1.67 -1.17 115.31 122.03 1jp3 h LEU 120 Ca 0.14 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1jp3 h LEU 120 Cb 0.42 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1jp3 h LEU 120 CO 0.01 0.80 0.54 1.56 -0.34 0.00 0.00 178.44 181.02 1jp3 h GLN 121 N 0.19 0.91 -0.39 1.25 4.20 -1.12 -0.42 115.11 119.74 1jp3 h GLN 121 Ca 0.05 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1jp3 h GLN 121 Cb 0.61 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1jp3 h GLN 121 CO 0.03 0.60 -0.20 1.49 -0.67 0.00 0.00 178.83 180.09 1jp3 h GLU 122 N 0.94 0.82 -0.09 1.46 4.81 -0.78 -1.65 114.58 120.10 1jp3 h GLU 122 Ca 0.35 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1jp3 h GLU 122 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1jp3 h GLU 122 CO -0.12 1.00 -0.20 0.00 -0.73 0.00 0.00 179.01 178.95 1jp3 h ARG 123 N 0.63 0.14 0.01 1.92 3.08 -0.44 0.89 114.38 120.62 1jp3 h ARG 123 Ca 0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1jp3 h ARG 123 Cb 0.75 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1jp3 h ARG 123 CO 0.06 0.35 -0.00 0.82 -1.07 0.00 0.00 179.97 180.12 1jp3 h ILE 124 N 0.13 1.35 -0.96 2.04 2.04 -0.99 -1.91 117.51 119.21 1jp3 h ILE 124 Ca 0.02 -1.08 0.07 0.00 1.00 0.00 0.00 64.86 64.88 1jp3 h ILE 124 Cb 0.44 2.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 1jp3 h ILE 124 CO 0.03 0.28 0.62 -0.09 0.00 0.00 0.00 178.15 178.99 1jp3 h ARG 125 N -0.48 1.05 -0.73 2.37 2.43 -0.80 -0.79 114.38 117.44 1jp3 h ARG 125 Ca -0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1jp3 h ARG 125 Cb 0.46 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1jp3 h ARG 125 CO 0.00 0.69 0.25 0.87 -1.51 0.00 0.00 179.97 180.28 1jp3 h LYS 126 N 1.08 1.12 -0.51 0.20 1.79 -0.73 0.19 116.57 119.73 1jp3 h LYS 126 Ca 0.42 -0.23 -0.11 0.00 -2.18 0.00 0.00 60.65 58.55 1jp3 h LYS 126 Cb 0.23 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1jp3 h LYS 126 CO -0.17 0.95 -0.11 0.77 -1.08 0.00 0.00 179.45 179.81 1jp3 h SER 127 N 1.07 0.94 -0.22 0.86 0.02 -0.45 0.26 113.55 116.02 1jp3 h SER 127 Ca 0.24 -0.30 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 1jp3 h SER 127 Cb 0.28 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1jp3 h SER 127 CO -0.01 1.06 -0.41 -0.33 -1.14 0.00 0.00 176.83 175.99 1jp3 h GLU 128 N 0.84 0.67 -0.55 3.45 5.08 -0.90 -2.96 114.58 120.21 1jp3 h GLU 128 Ca 0.13 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1jp3 h GLU 128 Cb 0.65 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 1jp3 h GLU 128 CO 0.04 1.04 0.34 0.00 -1.00 0.00 0.00 179.01 179.44 1jp3 h ALA 129 N 0.62 0.71 -0.59 3.43 0.00 -0.46 0.37 119.26 123.34 1jp3 h ALA 129 Ca 0.01 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.90 1jp3 h ALA 129 Cb 1.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1jp3 h ALA 129 CO 0.09 0.18 0.34 1.25 0.00 0.00 0.00 179.25 181.11 1jp3 h LEU 130 N 0.75 0.53 -1.43 0.00 5.85 -0.96 -2.97 115.31 117.09 1jp3 h LEU 130 Ca 0.20 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1jp3 h LEU 130 Cb -0.03 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1jp3 h LEU 130 CO -0.04 0.36 -0.02 0.35 -0.34 0.00 0.00 178.44 178.76 1jp3 n THR 131 N -4.78 0.00 -0.08 1.05 -2.24 -1.12 -4.51 114.28 102.60 1jp3 n THR 131 Ca 0.06 -0.37 0.21 0.00 -2.27 0.00 0.00 64.05 61.68 1jp3 n THR 131 Cb 0.11 1.00 0.66 0.00 -2.10 0.00 0.00 70.33 70.00 1jp3 n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jp3 h ALA 132 N 4.51 2.50 -0.23 6.98 0.00 -0.75 0.12 119.26 132.39 1jp3 h ALA 132 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jp3 h ALA 132 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jp3 h ALA 132 CO 0.00 -0.69 0.00 0.41 0.00 0.00 0.00 179.25 178.97 1jp3 n GLY 133 N -1.63 0.82 3.77 0.00 0.00 -1.26 -4.94 105.19 101.95 1jp3 n GLY 133 Ca 0.13 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1jp3 n GLY 133 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jp3 s ASN 134 N -1.59 6.13 0.00 1.61 0.01 0.03 -4.95 114.94 116.19 1jp3 s ASN 134 Ca 0.34 2.25 0.14 0.00 -0.71 0.00 0.00 52.86 54.88 1jp3 s ASN 134 Cb 0.20 -2.60 0.21 0.00 0.41 0.00 0.00 41.25 39.47 1jp3 s ASN 134 CO 0.29 -0.94 1.08 0.35 -1.51 0.00 0.00 177.10 176.36 1jp3 n THR 135 N -0.63 0.37 -0.24 1.60 -2.24 -1.25 -4.63 114.28 107.26 1jp3 n THR 135 Ca 0.08 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1jp3 n THR 135 Cb 0.49 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1jp3 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jp3 n GLY 136 N 0.77 1.25 3.76 3.38 0.00 0.42 -4.98 105.19 109.79 1jp3 n GLY 136 Ca 0.10 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 1jp3 n GLY 136 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jp3 n LEU 137 N 0.00 4.88 -4.61 0.99 7.94 -1.25 -4.62 117.00 120.34 1jp3 n LEU 137 Ca 0.00 1.16 -0.38 0.00 -1.11 0.00 0.00 56.01 55.68 1jp3 n LEU 137 Cb 0.00 -1.60 -0.10 0.00 0.53 0.00 0.00 43.42 42.25 1jp3 n LEU 137 CO 0.00 -0.08 -0.14 -0.89 -1.11 0.00 0.00 177.39 175.17 1jp3 s THR 138 N -1.16 5.31 -0.25 1.96 2.01 -0.43 -0.41 115.64 122.67 1jp3 s THR 138 Ca 0.58 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.76 1jp3 s THR 138 Cb -0.47 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.50 1jp3 s THR 138 CO 0.60 0.26 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.56 1jp3 s LEU 139 N 1.63 3.23 -0.23 4.42 2.96 0.53 -0.84 118.68 130.39 1jp3 s LEU 139 Ca 0.08 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 1jp3 s LEU 139 Cb -0.15 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 1jp3 s LEU 139 CO 0.09 -0.08 0.09 0.20 -1.32 0.00 0.00 176.35 175.33 1jp3 s ASN 140 N 1.46 5.49 -0.19 3.68 -0.87 0.80 -1.38 114.94 123.93 1jp3 s ASN 140 Ca 0.04 -0.06 -0.03 0.00 -1.57 0.00 0.00 52.86 51.24 1jp3 s ASN 140 Cb -0.15 -1.97 -0.01 0.00 -0.02 0.00 0.00 41.25 39.09 1jp3 s ASN 140 CO -0.02 0.05 -0.05 -0.63 -2.57 0.00 0.00 177.10 173.88 1jp3 s ILE 141 N 1.14 3.45 0.05 0.60 -1.09 -0.16 -0.61 121.20 124.59 1jp3 s ILE 141 Ca 0.05 -0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 57.68 1jp3 s ILE 141 Cb -0.14 -2.54 -0.05 0.00 -1.58 0.00 0.00 42.46 38.16 1jp3 s ILE 141 CO 0.04 0.45 1.08 0.00 -1.23 0.00 0.00 174.94 175.28 1jp3 s ALA 142 N 1.03 3.28 -0.09 9.38 0.00 -0.36 -0.98 121.76 134.01 1jp3 s ALA 142 Ca 0.00 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.63 1jp3 s ALA 142 Cb -0.15 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1jp3 s ALA 142 CO 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 175.76 175.51 1jp3 s ALA 143 N 0.83 0.52 -1.36 0.00 0.00 0.42 -4.71 121.76 117.47 1jp3 s ALA 143 Ca 0.54 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1jp3 s ALA 143 Cb -0.25 -0.81 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1jp3 s ALA 143 CO 0.29 -0.69 0.74 -1.71 0.00 0.00 0.00 175.76 174.39 1jp3 n ASN 144 N 5.21 -1.82 -4.75 0.00 5.15 -1.26 -3.17 115.26 114.62 1jp3 n ASN 144 Ca -0.06 -0.82 -0.32 0.00 -0.60 0.00 0.00 54.58 52.78 1jp3 n ASN 144 Cb 0.49 -3.96 -0.07 0.00 -0.53 0.00 0.00 39.78 35.71 1jp3 n ASN 144 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1jp3 s TYR 145 N -3.62 3.19 -0.09 1.20 6.14 -1.26 -1.21 117.35 121.70 1jp3 s TYR 145 Ca 0.13 0.13 -0.08 0.00 0.64 0.00 0.00 57.07 57.90 1jp3 s TYR 145 Cb -0.07 -1.68 0.03 0.00 0.42 0.00 0.00 41.96 40.66 1jp3 s TYR 145 CO 0.82 0.52 0.24 0.20 0.64 0.00 0.00 175.55 177.97 1jp3 s GLY 146 N -1.85 -0.17 0.33 8.97 0.00 -1.26 -4.91 107.32 108.43 1jp3 s GLY 146 Ca 0.23 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.73 1jp3 s GLY 146 CO 0.15 0.73 1.89 -1.33 0.00 0.00 0.00 173.10 174.53 1jp3 h GLY 147 N 6.08 0.66 1.43 0.20 0.00 -0.10 -1.01 103.07 110.33 1jp3 h GLY 147 Ca -0.29 -0.36 -0.19 0.00 0.00 0.00 0.00 47.33 46.49 1jp3 h GLY 147 CO 0.36 0.34 -0.68 3.21 0.00 0.00 0.00 176.54 179.77 1jp3 h ARG 148 N 0.60 0.58 -0.73 4.80 3.08 -1.82 -2.50 114.38 118.40 1jp3 h ARG 148 Ca 0.13 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1jp3 h ARG 148 Cb 0.26 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1jp3 h ARG 148 CO 0.00 1.05 0.41 2.35 -1.07 0.00 0.00 179.97 182.71 1jp3 h TRP 149 N 0.41 0.99 -0.18 3.04 7.01 -1.85 -1.12 115.95 124.26 1jp3 h TRP 149 Ca -0.02 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.00 1jp3 h TRP 149 Cb 1.26 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 27.96 1jp3 h TRP 149 CO 0.06 0.69 -0.09 0.22 -2.79 0.00 0.00 178.44 176.53 1jp3 h ASP 150 N 1.00 -0.29 -0.41 2.65 1.82 -1.07 0.17 116.42 120.28 1jp3 h ASP 150 Ca 0.26 0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.95 1jp3 h ASP 150 Cb 0.02 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1jp3 h ASP 150 CO -0.04 -0.12 0.19 0.40 -1.61 0.00 0.00 179.24 178.06 1jp3 h ILE 151 N -0.07 1.18 -0.60 2.25 2.04 -1.16 -2.66 117.51 118.49 1jp3 h ILE 151 Ca 0.10 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1jp3 h ILE 151 Cb 0.22 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1jp3 h ILE 151 CO -0.22 0.19 0.37 0.58 0.00 0.00 0.00 178.15 179.07 1jp3 h VAL 152 N 0.52 1.08 -0.67 1.67 2.07 -0.65 0.82 116.25 121.09 1jp3 h VAL 152 Ca 0.14 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1jp3 h VAL 152 Cb 0.13 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1jp3 h VAL 152 CO -0.02 0.13 0.32 0.06 0.02 0.00 0.00 177.57 178.09 1jp3 h GLN 153 N 0.73 0.94 -0.42 1.57 -0.00 -0.54 0.27 115.11 117.66 1jp3 h GLN 153 Ca 0.24 -0.12 -0.13 0.00 -0.00 0.00 0.00 58.65 58.64 1jp3 h GLN 153 Cb 0.01 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.30 1jp3 h GLN 153 CO -0.09 0.73 -0.25 0.78 -0.00 0.00 0.00 178.83 180.00 1jp3 h GLY 154 N 1.01 0.95 1.14 0.06 0.00 -1.06 -2.78 103.07 102.40 1jp3 h GLY 154 Ca 0.23 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1jp3 h GLY 154 CO -0.03 0.77 0.34 -2.08 0.00 0.00 0.00 176.54 175.54 1jp3 h VAL 155 N 0.76 1.25 -0.05 4.60 2.07 0.28 -1.54 116.25 123.62 1jp3 h VAL 155 Ca 0.10 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1jp3 h VAL 155 Cb 0.80 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jp3 h VAL 155 CO 0.07 0.30 -0.15 0.03 0.02 0.00 0.00 177.57 177.84 1jp3 h ARG 156 N 1.09 0.07 -0.15 1.57 3.08 -0.83 0.10 114.38 119.31 1jp3 h ARG 156 Ca 0.26 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 1jp3 h ARG 156 Cb 0.15 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1jp3 h ARG 156 CO -0.03 0.22 -0.60 1.96 -1.07 0.00 0.00 179.97 180.46 1jp3 h GLN 157 N 0.07 0.52 -0.03 0.04 4.20 -1.02 -2.15 115.11 116.74 1jp3 h GLN 157 Ca 0.01 -0.35 -0.21 0.00 0.06 0.00 0.00 58.65 58.17 1jp3 h GLN 157 Cb 0.31 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1jp3 h GLN 157 CO 0.02 0.96 -0.86 -0.07 -0.67 0.00 0.00 178.83 178.21 1jp3 h LEU 158 N 0.38 0.49 -0.51 1.46 3.38 -0.99 -3.05 115.31 116.48 1jp3 h LEU 158 Ca -0.00 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1jp3 h LEU 158 Cb 1.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1jp3 h LEU 158 CO 0.11 1.15 0.28 0.00 0.09 0.00 0.00 178.44 180.07 1jp3 h ALA 159 N 0.83 0.66 -0.74 1.53 0.00 -0.59 -1.74 119.26 119.21 1jp3 h ALA 159 Ca -0.06 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1jp3 h ALA 159 Cb 1.48 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1jp3 h ALA 159 CO 0.15 -0.04 0.44 0.93 0.00 0.00 0.00 179.25 180.73 1jp3 h GLU 160 N 0.56 0.79 -0.38 0.00 4.39 -1.36 0.05 114.58 118.63 1jp3 h GLU 160 Ca 0.22 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1jp3 h GLU 160 Cb 0.08 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1jp3 h GLU 160 CO -0.12 0.52 0.21 0.87 -1.16 0.00 0.00 179.01 179.33 1jp3 h LYS 161 N 0.81 0.53 -0.40 2.33 1.57 -1.31 -0.98 116.57 119.14 1jp3 h LYS 161 Ca 0.33 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.08 1jp3 h LYS 161 Cb 0.16 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1jp3 h LYS 161 CO -0.17 0.44 0.16 0.28 -0.57 0.00 0.00 179.45 179.58 1jp3 h VAL 162 N 0.49 0.91 -0.83 0.50 2.07 -0.70 -2.22 116.25 116.47 1jp3 h VAL 162 Ca 0.13 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1jp3 h VAL 162 Cb 0.06 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1jp3 h VAL 162 CO -0.02 0.06 0.54 -0.61 0.02 0.00 0.00 177.57 177.55 1jp3 h GLN 163 N 0.33 1.02 0.00 1.57 4.15 -0.61 -0.82 115.11 120.74 1jp3 h GLN 163 Ca 0.18 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1jp3 h GLN 163 Cb 0.14 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1jp3 h GLN 163 CO -0.17 0.67 0.00 1.04 -1.93 0.00 0.00 178.83 178.45 1jp3 n GLN 164 N -4.56 0.52 -0.99 1.69 1.13 -0.41 -4.82 117.38 109.95 1jp3 n GLN 164 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1jp3 n GLN 164 Cb 0.08 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1jp3 n GLN 164 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jp3 n GLY 165 N 0.05 0.82 0.43 1.08 0.00 -0.31 -4.89 105.19 102.37 1jp3 n GLY 165 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1jp3 n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jp3 n ASN 166 N -0.01 1.32 -3.68 1.61 3.02 -0.90 -4.86 115.26 111.76 1jp3 n ASN 166 Ca 0.00 -1.51 -0.11 0.00 -0.03 0.00 0.00 54.58 52.93 1jp3 n ASN 166 Cb 0.00 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.03 1jp3 n ASN 166 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jp3 s LEU 167 N -1.85 -0.20 0.10 3.41 2.96 -1.19 -4.90 118.68 117.02 1jp3 s LEU 167 Ca 0.37 0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 54.77 1jp3 s LEU 167 Cb 0.20 1.00 -0.07 0.00 0.50 0.00 0.00 46.19 47.82 1jp3 s LEU 167 CO 0.31 -0.21 0.76 -1.10 -1.32 0.00 0.00 176.35 174.79 1jp3 s GLN 168 N 2.01 4.52 0.41 1.98 -1.52 -1.26 -4.30 119.66 121.50 1jp3 s GLN 168 Ca -0.04 1.09 0.17 0.00 -1.95 0.00 0.00 55.36 54.64 1jp3 s GLN 168 Cb -0.11 -3.32 1.07 0.00 -0.22 0.00 0.00 33.01 30.43 1jp3 s GLN 168 CO -0.10 0.41 1.82 -1.35 -0.25 0.00 0.00 175.29 175.82 1jp3 h PRO 169 N 5.08 0.41 0.00 2.91 0.11 -1.98 0.57 132.00 139.10 1jp3 h PRO 169 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jp3 h PRO 169 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jp3 h PRO 169 CO 0.69 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 1jp3 n ASP 170 N -4.55 0.00 0.06 -2.05 5.68 -1.26 -1.83 116.55 112.60 1jp3 n ASP 170 Ca 0.21 0.13 0.12 0.00 -0.50 0.00 0.00 54.79 54.75 1jp3 n ASP 170 Cb 0.75 -0.32 0.21 0.00 -1.14 0.00 0.00 41.12 40.62 1jp3 n ASP 170 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jp3 n GLN 171 N -1.32 0.26 -2.59 0.11 6.02 0.20 -4.81 117.38 115.25 1jp3 n GLN 171 Ca 0.07 0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 1jp3 n GLN 171 Cb 0.13 -1.68 -0.02 0.00 1.02 0.00 0.00 30.24 29.69 1jp3 n GLN 171 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jp3 s ILE 172 N -3.15 4.54 0.32 5.09 1.01 -0.76 -5.00 121.20 123.25 1jp3 s ILE 172 Ca 0.07 1.84 0.04 0.00 0.00 0.00 0.00 60.65 62.60 1jp3 s ILE 172 Cb 0.14 -4.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1jp3 s ILE 172 CO 0.70 -0.23 0.13 -0.90 0.00 0.00 0.00 174.94 174.65 1jp3 n ASP 173 N 6.53 0.93 -0.22 3.58 5.68 -1.26 -5.05 116.55 126.75 1jp3 n ASP 173 Ca 0.13 -2.77 -0.06 0.00 -0.50 0.00 0.00 54.79 51.58 1jp3 n ASP 173 Cb 0.46 0.91 0.09 0.00 -1.14 0.00 0.00 41.12 41.45 1jp3 n ASP 173 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jp3 h GLU 174 N 0.00 1.04 -0.49 0.11 5.08 -2.02 -2.44 114.58 115.86 1jp3 h GLU 174 Ca -0.25 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1jp3 h GLU 174 Cb 0.99 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1jp3 h GLU 174 CO 0.39 0.92 0.00 0.39 -1.00 0.00 0.00 179.01 179.72 1jp3 n GLU 175 N -4.24 0.00 0.00 2.33 4.71 -1.26 -0.24 120.64 121.94 1jp3 n GLU 175 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1jp3 n GLU 175 Cb 0.25 -1.11 0.00 0.00 -1.01 0.00 0.00 31.44 29.57 1jp3 n GLU 175 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1jp3 n LEU 177 N 0.61 0.00 -0.35 -4.62 7.94 -0.92 -2.18 117.00 117.49 1jp3 n LEU 177 Ca 0.00 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.95 1jp3 n LEU 177 Cb 0.00 0.00 0.22 0.00 0.53 0.00 0.00 43.42 44.17 1jp3 n LEU 177 CO 0.00 0.00 1.25 -1.13 -1.11 0.00 0.00 177.39 176.40 1jp3 h ASN 178 N 0.00 0.95 0.26 1.96 -1.24 -0.88 0.47 115.58 117.11 1jp3 h ASN 178 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1jp3 h ASN 178 Cb 0.00 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.87 1jp3 h ASN 178 CO 0.00 0.57 0.00 0.00 -1.29 0.00 0.00 177.43 176.71 1jp3 n GLN 179 N -4.54 0.21 -0.05 6.67 1.13 -0.93 -2.59 117.38 117.29 1jp3 n GLN 179 Ca 0.16 0.15 0.02 0.00 -1.94 0.00 0.00 57.00 55.39 1jp3 n GLN 179 Cb 0.26 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.16 1jp3 n GLN 179 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1jp3 n HIS 180 N -1.28 0.13 -3.89 1.08 8.25 0.14 -4.93 115.22 114.72 1jp3 n HIS 180 Ca 0.07 -0.40 -0.24 0.00 -0.26 0.00 0.00 57.72 56.89 1jp3 n HIS 180 Cb 0.11 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1jp3 n HIS 180 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1jp3 s VAL 181 N -0.86 5.27 -0.08 1.59 -7.23 -1.07 -3.99 120.40 114.03 1jp3 s VAL 181 Ca 0.07 -0.74 -0.26 0.00 -1.81 0.00 0.00 61.98 59.24 1jp3 s VAL 181 Cb 0.04 -3.79 -0.31 0.00 0.56 0.00 0.00 36.38 32.88 1jp3 s VAL 181 CO 0.05 -0.21 1.47 0.00 -0.31 0.00 0.00 175.10 176.10 1jp3 n HIS 184 N 9.02 0.00 1.12 0.00 -0.00 -1.26 -5.00 115.22 119.09 1jp3 n HIS 184 Ca 0.40 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.25 1jp3 n HIS 184 Cb 0.40 0.00 0.56 0.00 -0.00 0.00 0.00 29.99 30.95 1jp3 n HIS 184 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1jp3 n GLU 185 N -0.02 0.16 -3.14 -1.40 0.00 -1.26 -4.86 120.64 110.12 1jp3 n GLU 185 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 57.16 56.95 1jp3 n GLU 185 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.94 1jp3 n GLU 185 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1jp3 s LEU 186 N -2.86 3.69 0.54 -1.84 1.43 -1.26 -5.05 118.68 113.33 1jp3 s LEU 186 Ca 0.18 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.66 1jp3 s LEU 186 Cb 0.19 -2.62 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 1jp3 s LEU 186 CO 0.55 -0.69 1.19 0.00 0.23 0.00 0.00 176.35 177.63 1jp3 n ALA 187 N -1.78 0.94 -1.73 4.21 0.00 -1.26 -4.90 120.51 115.98 1jp3 n ALA 187 Ca 0.06 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.24 1jp3 n ALA 187 Cb 0.59 -2.24 0.06 0.00 0.00 0.00 0.00 19.45 17.86 1jp3 n ALA 187 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1jp3 s PRO 188 N -2.71 2.65 0.05 0.00 0.02 -1.26 -4.84 135.00 128.91 1jp3 s PRO 188 Ca 0.72 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 63.53 1jp3 s PRO 188 Cb -0.44 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.09 1jp3 s PRO 188 CO 0.50 -1.53 1.64 0.08 -0.33 0.00 0.00 177.00 177.36 1jp3 s VAL 189 N -1.38 3.15 -0.16 3.83 1.01 -1.26 -4.39 120.40 121.20 1jp3 s VAL 189 Ca 0.81 0.54 0.05 0.00 0.00 0.00 0.00 61.98 63.39 1jp3 s VAL 189 Cb -0.38 -3.35 -0.23 0.00 0.00 0.00 0.00 36.38 32.42 1jp3 s VAL 189 CO 0.41 -0.01 0.20 0.47 0.00 0.00 0.00 175.10 176.18 1jp3 n ASP 190 N 5.79 1.34 -3.76 3.32 8.00 -0.02 -4.27 116.55 126.95 1jp3 n ASP 190 Ca 0.16 0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.64 1jp3 n ASP 190 Cb 0.41 -0.15 -0.14 0.00 -0.02 0.00 0.00 41.12 41.22 1jp3 n ASP 190 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jp3 s LEU 191 N -6.35 0.81 -0.15 0.64 2.96 -1.12 -0.81 118.68 114.67 1jp3 s LEU 191 Ca -0.19 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1jp3 s LEU 191 Cb 0.07 0.43 -0.00 0.00 0.50 0.00 0.00 46.19 47.19 1jp3 s LEU 191 CO 0.75 -0.13 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.80 1jp3 s VAL 192 N 0.99 2.63 -0.13 1.68 1.01 0.27 -0.30 120.40 126.55 1jp3 s VAL 192 Ca -0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1jp3 s VAL 192 Cb -0.10 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1jp3 s VAL 192 CO -0.05 0.52 -0.09 -0.63 0.00 0.00 0.00 175.10 174.84 1jp3 s ILE 193 N 0.81 3.41 -0.15 2.22 1.01 0.58 -0.07 121.20 129.00 1jp3 s ILE 193 Ca -0.05 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1jp3 s ILE 193 Cb -0.15 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.88 1jp3 s ILE 193 CO -0.00 0.52 -0.18 -0.60 0.00 0.00 0.00 174.94 174.68 1jp3 s ARG 194 N 0.23 2.64 0.53 2.79 3.52 -0.32 -0.29 118.95 128.05 1jp3 s ARG 194 Ca -0.06 -0.70 0.02 0.00 -0.13 0.00 0.00 55.73 54.86 1jp3 s ARG 194 Cb -0.15 -2.29 0.03 0.00 -1.56 0.00 0.00 34.95 30.98 1jp3 s ARG 194 CO 0.04 -0.17 0.75 0.95 -0.81 0.00 0.00 175.30 176.06 1jp3 s THR 195 N 1.26 2.74 0.00 4.11 -4.23 -0.86 -1.63 115.64 117.03 1jp3 s THR 195 Ca 0.02 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1jp3 s THR 195 Cb -0.14 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1jp3 s THR 195 CO -0.09 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1jp3 n GLY 196 N -2.28 0.63 1.43 3.99 0.00 0.39 -3.94 105.19 105.41 1jp3 n GLY 196 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1jp3 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jp3 n GLY 197 N -2.00 1.97 3.84 -0.02 0.00 -0.92 -4.80 105.19 103.26 1jp3 n GLY 197 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1jp3 n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jp3 s GLU 198 N -0.57 4.10 -0.71 1.61 0.41 -1.26 -4.91 118.70 117.36 1jp3 s GLU 198 Ca 0.00 0.81 0.04 0.00 -0.41 0.00 0.00 54.97 55.41 1jp3 s GLU 198 Cb 0.00 -2.44 0.28 0.00 -1.78 0.00 0.00 34.13 30.19 1jp3 s GLU 198 CO 0.00 0.15 0.95 0.72 -0.49 0.00 0.00 175.26 176.59 1jp3 n HIS 199 N -0.28 3.50 -3.74 1.61 8.25 -1.26 -4.89 115.22 118.41 1jp3 n HIS 199 Ca 0.04 -3.82 -0.10 0.00 -0.26 0.00 0.00 57.72 53.58 1jp3 n HIS 199 Cb 0.53 -0.68 -0.05 0.00 1.12 0.00 0.00 29.99 30.91 1jp3 n HIS 199 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1jp3 s ARG 200 N -2.83 1.10 0.16 -0.41 0.52 -1.26 -5.04 118.95 111.19 1jp3 s ARG 200 Ca 0.40 -0.85 0.19 0.00 -0.52 0.00 0.00 55.73 54.95 1jp3 s ARG 200 Cb 0.16 0.44 -0.04 0.00 0.52 0.00 0.00 34.95 36.04 1jp3 s ARG 200 CO -0.02 -0.42 1.02 0.82 0.02 0.00 0.00 175.30 176.71 1jp3 h ILE 201 N 2.43 0.33 -6.49 1.52 1.08 -1.96 -3.49 117.51 110.93 1jp3 h ILE 201 Ca -0.33 -1.61 -0.50 0.00 -0.39 0.00 0.00 64.86 62.03 1jp3 h ILE 201 Cb 1.24 1.89 -0.09 0.00 -3.07 0.00 0.00 36.82 36.79 1jp3 h ILE 201 CO 0.47 0.19 -0.83 -1.20 -0.69 0.00 0.00 178.15 176.09 1jp3 n SER 202 N -2.87 -2.40 -3.29 1.72 7.64 -1.26 -1.77 113.62 111.40 1jp3 n SER 202 Ca -0.04 -0.94 -0.24 0.00 1.01 0.00 0.00 58.87 58.67 1jp3 n SER 202 Cb 0.71 -3.26 0.02 0.00 -1.01 0.00 0.00 64.21 60.67 1jp3 n SER 202 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1jp3 n ASN 203 N -2.85 -5.05 -1.11 6.43 5.15 -1.26 -4.95 115.26 111.62 1jp3 n ASN 203 Ca -0.10 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1jp3 n ASN 203 Cb 0.59 -4.10 0.00 0.00 -0.53 0.00 0.00 39.78 35.74 1jp3 n ASN 203 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1jp3 n PHE 204 N -4.33 0.00 -1.72 1.20 7.35 -0.73 -0.58 117.46 118.65 1jp3 n PHE 204 Ca -0.05 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.21 1jp3 n PHE 204 Cb 0.58 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.39 1jp3 n PHE 204 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1jp3 n LEU 205 N 0.00 3.95 0.05 -2.13 4.77 -1.26 -1.87 117.00 120.51 1jp3 n LEU 205 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 1jp3 n LEU 205 Cb 0.00 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 1jp3 n LEU 205 CO 0.00 -0.07 0.00 0.18 -1.33 0.00 0.00 177.39 176.17 1jp3 n LEU 206 N 2.06 0.76 -0.24 2.23 4.77 -1.26 -4.61 117.00 120.70 1jp3 n LEU 206 Ca 0.09 0.13 0.01 0.00 -0.03 0.00 0.00 56.01 56.21 1jp3 n LEU 206 Cb 0.35 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1jp3 n LEU 206 CO 0.63 -0.70 1.08 -0.25 -1.33 0.00 0.00 177.39 176.82 1jp3 h TRP 207 N 0.00 0.66 0.00 -1.77 2.91 -1.91 -2.60 115.95 113.24 1jp3 h TRP 207 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1jp3 h TRP 207 Cb 0.00 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.46 1jp3 h TRP 207 CO 0.00 0.26 0.00 1.96 -1.03 0.00 0.00 178.44 179.63 1jp3 h GLN 208 N 0.63 0.00 -0.51 2.65 7.50 -1.95 -3.20 115.11 120.23 1jp3 h GLN 208 Ca 0.34 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.49 1jp3 h GLN 208 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.86 1jp3 h GLN 208 CO -0.25 0.00 0.00 0.44 -1.50 0.00 0.00 178.83 177.52 1jp3 n ILE 209 N -2.68 2.34 -0.26 2.54 -5.35 -0.98 -4.27 119.36 110.70 1jp3 n ILE 209 Ca 0.02 -1.45 0.20 0.00 -0.27 0.00 0.00 62.75 61.25 1jp3 n ILE 209 Cb 0.30 -0.13 0.52 0.00 -1.74 0.00 0.00 39.64 38.59 1jp3 n ILE 209 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jp3 h ALA 210 N 3.40 2.23 0.00 -1.28 0.00 -1.64 -2.39 119.26 119.59 1jp3 h ALA 210 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jp3 h ALA 210 Cb 1.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1jp3 h ALA 210 CO 0.34 -0.55 0.00 0.66 0.00 0.00 0.00 179.25 179.70 1jp3 n TYR 211 N -4.53 0.00 -2.54 0.00 4.01 -1.26 -5.06 117.16 107.78 1jp3 n TYR 211 Ca 0.21 -0.40 -0.36 0.00 -0.16 0.00 0.00 57.90 57.19 1jp3 n TYR 211 Cb 0.75 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.70 1jp3 n TYR 211 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jp3 s ALA 212 N -0.80 3.05 0.24 -0.72 0.00 -0.90 -4.99 121.76 117.64 1jp3 s ALA 212 Ca 0.00 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1jp3 s ALA 212 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.76 1jp3 s ALA 212 CO 0.00 -0.23 1.18 -2.00 0.00 0.00 0.00 175.76 174.71 1jp3 s GLU 213 N -2.62 4.52 -0.18 0.00 2.56 0.01 -4.89 118.70 118.11 1jp3 s GLU 213 Ca 0.59 1.90 -0.03 0.00 0.00 0.00 0.00 54.97 57.43 1jp3 s GLU 213 Cb -0.21 -3.20 -0.02 0.00 2.00 0.00 0.00 34.13 32.70 1jp3 s GLU 213 CO 0.26 0.00 -0.05 -0.51 -0.56 0.00 0.00 175.26 174.41 1jp3 s LEU 214 N -0.89 3.04 -0.15 2.70 1.43 -1.26 -0.56 118.68 122.99 1jp3 s LEU 214 Ca 0.49 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1jp3 s LEU 214 Cb -0.34 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1jp3 s LEU 214 CO 0.41 0.09 -0.09 -0.47 0.23 0.00 0.00 176.35 176.51 1jp3 s TYR 215 N 0.83 1.91 -0.15 0.29 6.14 0.90 -4.96 117.35 122.32 1jp3 s TYR 215 Ca -0.01 -1.13 -0.03 0.00 0.64 0.00 0.00 57.07 56.53 1jp3 s TYR 215 Cb -0.15 -1.44 -0.03 0.00 0.42 0.00 0.00 41.96 40.77 1jp3 s TYR 215 CO 0.01 -0.63 -0.03 -0.06 0.64 0.00 0.00 175.55 175.48 1jp3 s PHE 216 N 1.57 3.03 0.02 4.97 0.08 -1.26 -1.17 117.98 125.21 1jp3 s PHE 216 Ca 0.03 -0.23 0.03 0.00 0.12 0.00 0.00 56.93 56.88 1jp3 s PHE 216 Cb -0.14 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 1jp3 s PHE 216 CO -0.09 0.03 -0.11 -0.08 -0.10 0.00 0.00 175.22 174.87 1jp3 s THR 217 N 0.21 0.83 -0.37 0.64 -1.32 -0.65 -4.97 115.64 110.01 1jp3 s THR 217 Ca -0.02 -0.70 0.27 0.00 -1.21 0.00 0.00 61.69 60.03 1jp3 s THR 217 Cb -0.14 -0.75 0.31 0.00 -1.51 0.00 0.00 72.50 70.42 1jp3 s THR 217 CO 0.03 0.05 1.79 0.44 -2.21 0.00 0.00 174.62 174.72 1jp3 h ASP 218 N 5.37 0.00 -2.53 8.08 3.32 -1.91 -2.23 116.42 126.53 1jp3 h ASP 218 Ca -0.34 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.13 1jp3 h ASP 218 Cb 1.18 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.80 1jp3 h ASP 218 CO 0.46 0.00 0.72 0.52 -1.72 0.00 0.00 179.24 179.22 1jp3 n VAL 219 N -2.61 0.51 -2.57 -1.35 0.31 -1.26 -3.89 118.33 107.47 1jp3 n VAL 219 Ca 0.03 -0.13 -0.38 0.00 -0.01 0.00 0.00 64.34 63.85 1jp3 n VAL 219 Cb 0.34 -1.54 -0.05 0.00 -0.91 0.00 0.00 33.84 31.68 1jp3 n VAL 219 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jp3 s LEU 220 N 0.44 4.36 0.29 7.52 1.43 -1.26 -0.46 118.68 131.00 1jp3 s LEU 220 Ca 0.73 2.09 0.03 0.00 -1.03 0.00 0.00 54.13 55.95 1jp3 s LEU 220 Cb -0.65 -3.91 0.75 0.00 0.03 0.00 0.00 46.19 42.41 1jp3 s LEU 220 CO 0.44 -0.25 1.66 -0.25 0.23 0.00 0.00 176.35 178.18 1jp3 h TRP 221 N 3.22 0.46 0.00 0.29 2.91 -1.53 0.17 115.95 121.48 1jp3 h TRP 221 Ca -0.47 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 1jp3 h TRP 221 Cb 1.21 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1jp3 h TRP 221 CO 0.59 -0.18 -0.05 -1.35 -1.03 0.00 0.00 178.44 176.42 1jp3 h PRO 222 N 0.26 0.00 0.00 2.65 0.11 -1.85 -1.92 132.00 131.25 1jp3 h PRO 222 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1jp3 h PRO 222 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jp3 h PRO 222 CO -0.62 0.05 -0.58 -0.25 -0.21 0.00 0.00 178.00 176.39 1jp3 n ASP 223 N -3.75 0.56 -4.61 -2.05 8.00 0.56 -4.77 116.55 110.50 1jp3 n ASP 223 Ca -0.02 -0.30 -0.43 0.00 0.71 0.00 0.00 54.79 54.74 1jp3 n ASP 223 Cb 0.15 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1jp3 n ASP 223 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jp3 s PHE 224 N -3.02 1.86 0.00 1.24 5.36 -0.72 -4.95 117.98 117.75 1jp3 s PHE 224 Ca 0.10 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 1jp3 s PHE 224 Cb 0.17 -4.09 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 1jp3 s PHE 224 CO 0.72 -3.05 0.00 -0.40 -1.46 0.00 0.00 175.22 171.03 1jp3 n ASP 225 N 9.72 1.97 -0.35 6.13 5.68 -1.26 -4.90 116.55 133.54 1jp3 n ASP 225 Ca 0.22 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1jp3 n ASP 225 Cb 0.46 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.58 1jp3 n ASP 225 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jp3 h GLU 226 N 0.00 1.11 -0.27 0.11 3.07 -1.92 -0.47 114.58 116.22 1jp3 h GLU 226 Ca 0.00 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.68 1jp3 h GLU 226 Cb 0.00 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 1jp3 h GLU 226 CO 0.00 0.74 -0.29 1.96 -1.40 0.00 0.00 179.01 180.02 1jp3 h GLN 227 N 1.15 0.54 -0.57 2.33 4.20 -1.98 0.36 115.11 121.15 1jp3 h GLN 227 Ca 0.39 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1jp3 h GLN 227 Cb 0.06 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1jp3 h GLN 227 CO -0.14 0.77 0.11 -0.44 -0.67 0.00 0.00 178.83 178.46 1jp3 h ASP 228 N 0.47 0.89 -0.30 1.46 3.32 -1.74 -0.50 116.42 120.01 1jp3 h ASP 228 Ca 0.06 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 1jp3 h ASP 228 Cb 0.74 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1jp3 h ASP 228 CO 0.06 0.91 -0.00 0.15 -1.72 0.00 0.00 179.24 178.63 1jp3 h PHE 229 N 0.82 0.59 -0.99 4.55 3.04 -0.83 -2.25 116.94 121.88 1jp3 h PHE 229 Ca 0.17 -0.10 0.07 0.00 3.98 0.00 0.00 57.97 62.09 1jp3 h PHE 229 Cb 0.39 -0.15 -0.07 0.00 2.56 0.00 0.00 35.95 38.68 1jp3 h PHE 229 CO 0.03 0.68 0.64 1.49 -2.02 0.00 0.00 178.31 179.12 1jp3 h GLU 230 N 0.33 1.11 -0.55 1.11 4.81 -0.77 -0.23 114.58 120.40 1jp3 h GLU 230 Ca 0.09 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1jp3 h GLU 230 Cb 0.45 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1jp3 h GLU 230 CO 0.02 0.74 0.24 0.78 -0.73 0.00 0.00 179.01 180.05 1jp3 h GLY 231 N 1.15 0.84 1.10 1.92 0.00 -0.65 0.13 103.07 107.56 1jp3 h GLY 231 Ca 0.43 -0.41 -0.18 0.00 0.00 0.00 0.00 47.33 47.17 1jp3 h GLY 231 CO -0.17 0.39 -0.56 0.00 0.00 0.00 0.00 176.54 176.20 1jp3 h ALA 232 N 1.48 0.40 -0.68 3.60 0.00 -0.57 -1.58 119.26 121.89 1jp3 h ALA 232 Ca 0.19 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1jp3 h ALA 232 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1jp3 h ALA 232 CO -0.02 0.62 0.21 -0.07 0.00 0.00 0.00 179.25 179.99 1jp3 h LEU 233 N 0.56 0.98 -0.82 0.00 3.38 -0.68 -1.26 115.31 117.47 1jp3 h LEU 233 Ca -0.00 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1jp3 h LEU 233 Cb 1.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1jp3 h LEU 233 CO 0.12 0.91 -0.28 0.78 0.09 0.00 0.00 178.44 180.06 1jp3 h ASN 234 N 1.01 0.57 -0.54 -0.43 2.35 -0.66 -0.10 115.58 117.79 1jp3 h ASN 234 Ca 0.22 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1jp3 h ASN 234 Cb 0.29 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1jp3 h ASN 234 CO -0.01 0.84 0.19 0.00 -1.65 0.00 0.00 177.43 176.80 1jp3 h ALA 235 N 1.21 0.70 0.05 -0.83 0.00 -0.87 -1.58 119.26 117.94 1jp3 h ALA 235 Ca 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jp3 h ALA 235 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1jp3 h ALA 235 CO 0.06 0.34 -0.09 0.35 0.00 0.00 0.00 179.25 179.90 1jp3 h PHE 236 N 0.73 -0.24 -0.97 0.00 3.57 -0.79 -1.16 116.94 118.08 1jp3 h PHE 236 Ca 0.18 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1jp3 h PHE 236 Cb 0.24 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 1jp3 h PHE 236 CO 0.01 -0.15 0.62 0.00 -2.23 0.00 0.00 178.31 176.56 1jp3 h ALA 237 N 0.74 1.39 0.00 2.41 0.00 -0.75 0.25 119.26 123.31 1jp3 h ALA 237 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jp3 h ALA 237 Cb 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jp3 h ALA 237 CO -0.06 0.32 0.00 -0.91 0.00 0.00 0.00 179.25 178.61 1jp3 h ASN 238 N 1.06 0.00 0.19 0.00 -0.26 -1.12 -3.28 115.58 112.17 1jp3 h ASN 238 Ca 0.45 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.99 1jp3 h ASN 238 Cb 0.29 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.52 1jp3 h ASN 238 CO -0.21 0.00 -1.99 0.54 -1.06 0.00 0.00 177.43 174.71 1jp3 n ARG 239 N -2.90 0.66 0.00 0.81 1.74 -0.45 -5.09 116.66 111.42 1jp3 n ARG 239 Ca 0.04 -0.01 0.11 0.00 -0.77 0.00 0.00 57.85 57.22 1jp3 n ARG 239 Cb 0.50 -1.60 0.63 0.00 -1.02 0.00 0.00 32.46 30.97 1jp3 n ARG 239 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20