#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jp3 n ARG 19 N 7.41 0.67 -3.63 0.00 1.74 -1.26 -4.64 116.66 116.96 1jp3 n ARG 19 Ca 0.18 -0.11 -0.17 0.00 -0.77 0.00 0.00 57.85 56.97 1jp3 n ARG 19 Cb 0.45 -1.52 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 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 -3.05 -0.20 -0.09 -1.55 5.04 -1.26 -1.18 115.29 113.01 1jp3 s HIS 20 Ca -0.09 0.51 0.01 0.00 -1.54 0.00 0.00 55.06 53.95 1jp3 s HIS 20 Cb 0.10 -0.29 -0.03 0.00 0.04 0.00 0.00 32.58 32.41 1jp3 s HIS 20 CO 0.87 -0.36 -0.09 0.08 -2.34 0.00 0.00 174.74 172.90 1jp3 s VAL 21 N 2.30 3.50 -0.03 0.89 1.01 -0.57 -1.28 120.40 126.23 1jp3 s VAL 21 Ca 0.04 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1jp3 s VAL 21 Cb -0.13 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1jp3 s VAL 21 CO -0.07 0.57 -0.22 0.00 0.00 0.00 0.00 175.10 175.38 1jp3 s ALA 22 N -0.43 2.34 -0.06 5.51 0.00 0.35 -0.71 121.76 128.75 1jp3 s ALA 22 Ca 0.06 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1jp3 s ALA 22 Cb -0.12 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1jp3 s ALA 22 CO 0.02 0.53 -0.12 0.42 0.00 0.00 0.00 175.76 176.62 1jp3 s ILE 23 N -0.63 1.07 0.20 0.00 1.01 0.14 -0.69 121.20 122.30 1jp3 s ILE 23 Ca 0.10 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1jp3 s ILE 23 Cb -0.10 -0.98 0.04 0.00 0.01 0.00 0.00 42.46 41.43 1jp3 s ILE 23 CO -0.00 0.34 0.28 -0.38 0.00 0.00 0.00 174.94 175.17 1jp3 n ILE 24 N 3.72 0.00 0.00 2.92 5.41 0.49 -1.38 119.36 130.52 1jp3 n ILE 24 Ca -0.22 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 62.97 1jp3 n ILE 24 Cb 0.52 -1.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 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 -2.86 0.00 0.00 4.38 2.03 -1.25 -1.99 116.55 116.86 1jp3 n ASP 26 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1jp3 n ASP 26 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.45 0.96 0.09 0.27 0.00 -1.26 -1.48 105.19 102.32 1jp3 n GLY 27 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.18 0.31 1.61 -0.26 -1.95 -0.26 115.58 115.21 1jp3 h ASN 28 Ca 0.00 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 1jp3 h ASN 28 Cb 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 1jp3 h ASN 28 CO 0.00 0.19 -0.15 1.23 -1.06 0.00 0.00 177.43 177.64 1jp3 h GLY 29 N 0.16 -0.43 0.93 2.83 0.00 -1.89 -2.10 103.07 102.56 1jp3 h GLY 29 Ca 0.05 0.16 0.08 0.00 0.00 0.00 0.00 47.33 47.62 1jp3 h GLY 29 CO -0.01 -0.16 0.51 3.21 0.00 0.00 0.00 176.54 180.10 1jp3 h ARG 30 N -0.54 0.78 -0.02 4.80 3.08 -1.98 -2.06 114.38 118.43 1jp3 h ARG 30 Ca -0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1jp3 h ARG 30 Cb 0.40 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 1jp3 h ARG 30 CO 0.07 0.51 0.01 2.35 -1.07 0.00 0.00 179.97 181.84 1jp3 h TRP 31 N 0.80 0.03 -0.97 3.04 7.01 -0.86 -2.07 115.95 122.93 1jp3 h TRP 31 Ca 0.35 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.35 1jp3 h TRP 31 Cb 0.31 -0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 1jp3 h TRP 31 CO -0.00 0.17 0.64 0.00 -2.79 0.00 0.00 178.44 176.46 1jp3 h ALA 32 N 0.85 1.22 -0.24 2.65 0.00 -0.99 -1.91 119.26 120.85 1jp3 h ALA 32 Ca 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jp3 h ALA 32 Cb 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jp3 h ALA 32 CO -0.00 0.62 0.14 -0.22 0.00 0.00 0.00 179.25 179.79 1jp3 h LYS 33 N 1.31 0.32 0.00 0.00 3.64 -1.26 0.31 116.57 120.89 1jp3 h LYS 33 Ca 0.35 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1jp3 h LYS 33 Cb -0.15 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1jp3 h LYS 33 CO -0.08 0.26 -0.02 0.87 -2.27 0.00 0.00 179.45 178.22 1jp3 h LYS 34 N 0.29 0.00 -0.02 1.90 1.57 -0.85 0.73 116.57 120.20 1jp3 h LYS 34 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1jp3 h LYS 34 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jp3 h LYS 34 CO -0.02 0.02 -0.05 1.04 -0.57 0.00 0.00 179.45 179.88 1jp3 n GLN 35 N -4.08 1.60 -1.99 3.15 1.13 -0.76 -4.93 117.38 111.50 1jp3 n GLN 35 Ca -0.03 -1.00 -0.06 0.00 -1.94 0.00 0.00 57.00 53.97 1jp3 n GLN 35 Cb 0.11 -1.48 -0.01 0.00 0.11 0.00 0.00 30.24 28.97 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 1.22 0.21 3.64 1.08 0.00 0.25 -5.04 105.19 106.55 1jp3 n GLY 36 Ca 0.17 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.07 2.00 0.55 1.61 -0.14 0.10 -5.00 119.74 114.80 1jp3 s LYS 37 Ca 0.00 -2.07 -0.14 0.00 -1.36 0.00 0.00 55.97 52.40 1jp3 s LYS 37 Cb 0.00 -1.69 -0.06 0.00 -1.68 0.00 0.00 37.83 34.39 1jp3 s LYS 37 CO 0.00 -0.06 0.99 0.96 -0.76 0.00 0.00 175.35 176.49 1jp3 s ILE 38 N -2.69 4.62 0.35 2.17 -4.36 -1.26 -3.83 121.20 116.19 1jp3 s ILE 38 Ca 0.36 1.05 0.16 0.00 -0.26 0.00 0.00 60.65 61.96 1jp3 s ILE 38 Cb 0.09 -3.78 0.34 0.00 1.25 0.00 0.00 42.46 40.36 1jp3 s ILE 38 CO 0.19 -0.87 1.66 0.03 0.24 0.00 0.00 174.94 176.19 1jp3 h ARG 39 N 0.42 0.29 -0.78 0.37 3.08 -1.93 -0.42 114.38 115.42 1jp3 h ARG 39 Ca -0.46 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.58 1jp3 h ARG 39 Cb 1.19 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1jp3 h ARG 39 CO 0.62 0.19 0.52 0.00 -1.07 0.00 0.00 179.97 180.23 1jp3 h ALA 40 N 1.82 1.45 -0.53 0.04 0.00 -1.97 -1.91 119.26 118.16 1jp3 h ALA 40 Ca 0.74 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.52 1jp3 h ALA 40 Cb 1.75 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1jp3 h ALA 40 CO -0.58 0.51 0.04 0.35 0.00 0.00 0.00 179.25 179.57 1jp3 h PHE 41 N 1.05 0.93 -0.52 0.00 3.57 -1.44 -0.93 116.94 119.60 1jp3 h PHE 41 Ca 0.29 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1jp3 h PHE 41 Cb -0.12 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 1jp3 h PHE 41 CO -0.00 0.83 -0.02 0.78 -2.23 0.00 0.00 178.31 177.67 1jp3 h GLY 42 N 0.99 0.96 1.51 2.40 0.00 -1.34 -1.42 103.07 106.18 1jp3 h GLY 42 Ca 0.16 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 1jp3 h GLY 42 CO 0.02 0.63 -0.40 0.45 0.00 0.00 0.00 176.54 177.23 1jp3 h HIS 43 N 0.82 0.64 -0.61 5.60 3.86 -0.91 0.37 115.15 124.93 1jp3 h HIS 43 Ca 0.15 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 1jp3 h HIS 43 Cb 0.51 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 1jp3 h HIS 43 CO 0.03 0.86 -0.00 0.87 0.86 0.00 0.00 177.93 180.55 1jp3 h LYS 44 N 0.44 1.08 -0.48 2.45 1.79 -0.92 0.67 116.57 121.61 1jp3 h LYS 44 Ca 0.04 -0.35 -0.13 0.00 -2.18 0.00 0.00 60.65 58.03 1jp3 h LYS 44 Cb 0.90 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.44 1jp3 h LYS 44 CO 0.08 1.05 -0.21 0.00 -1.08 0.00 0.00 179.45 179.29 1jp3 h ALA 45 N 0.99 0.71 -0.72 3.86 0.00 -0.98 -2.64 119.26 120.47 1jp3 h ALA 45 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jp3 h ALA 45 Cb 0.57 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1jp3 h ALA 45 CO 0.03 0.67 0.42 0.78 0.00 0.00 0.00 179.25 181.16 1jp3 h GLY 46 N 0.89 1.05 1.35 0.00 0.00 0.27 -1.86 103.07 104.77 1jp3 h GLY 46 Ca 0.11 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1jp3 h GLY 46 CO 0.07 0.43 -0.08 0.00 0.00 0.00 0.00 176.54 176.96 1jp3 h ALA 47 N 1.46 1.04 -0.49 3.60 0.00 -0.58 -1.33 119.26 122.96 1jp3 h ALA 47 Ca 0.26 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1jp3 h ALA 47 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1jp3 h ALA 47 CO -0.05 0.59 0.04 0.87 0.00 0.00 0.00 179.25 180.70 1jp3 h LYS 48 N 0.71 0.79 -0.35 0.00 1.57 -1.07 -1.29 116.57 116.92 1jp3 h LYS 48 Ca 0.13 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 1jp3 h LYS 48 Cb 0.54 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1jp3 h LYS 48 CO 0.03 0.77 -0.10 1.03 -0.57 0.00 0.00 179.45 180.62 1jp3 h SER 49 N 0.75 0.58 -0.30 0.86 0.87 -0.85 -1.32 113.55 114.14 1jp3 h SER 49 Ca 0.15 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1jp3 h SER 49 Cb 0.40 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1jp3 h SER 49 CO 0.01 0.72 0.06 0.58 -0.53 0.00 0.00 176.83 177.67 1jp3 h VAL 50 N 0.56 1.23 -0.44 2.23 2.07 -0.29 -0.27 116.25 121.32 1jp3 h VAL 50 Ca 0.10 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1jp3 h VAL 50 Cb 0.50 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1jp3 h VAL 50 CO 0.03 0.25 0.16 -0.09 0.02 0.00 0.00 177.57 177.94 1jp3 h ARG 51 N 0.31 0.32 -0.74 1.57 2.43 -0.93 0.74 114.38 118.09 1jp3 h ARG 51 Ca 0.09 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1jp3 h ARG 51 Cb 0.32 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 1jp3 h ARG 51 CO 0.00 0.21 0.30 -0.09 -1.51 0.00 0.00 179.97 178.89 1jp3 h ARG 52 N 0.33 1.11 -0.42 0.20 2.43 -1.04 -1.71 114.38 115.28 1jp3 h ARG 52 Ca 0.21 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 1jp3 h ARG 52 Cb 0.20 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1jp3 h ARG 52 CO -0.21 0.90 -0.24 0.00 -1.51 0.00 0.00 179.97 178.91 1jp3 h ALA 53 N 1.15 0.60 -0.38 2.80 0.00 -0.37 -0.45 119.26 122.61 1jp3 h ALA 53 Ca 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jp3 h ALA 53 Cb 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jp3 h ALA 53 CO -0.02 0.60 0.19 0.28 0.00 0.00 0.00 179.25 180.30 1jp3 h VAL 54 N 0.73 1.16 -0.80 0.00 2.07 -0.71 -0.59 116.25 118.11 1jp3 h VAL 54 Ca 0.09 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1jp3 h VAL 54 Cb 0.82 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1jp3 h VAL 54 CO 0.07 0.17 0.40 0.28 0.02 0.00 0.00 177.57 178.51 1jp3 h SER 55 N 0.48 1.02 -0.52 0.57 0.02 -1.17 -1.31 113.55 112.64 1jp3 h SER 55 Ca 0.13 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1jp3 h SER 55 Cb 0.09 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1jp3 h SER 55 CO -0.02 0.86 0.29 0.15 -1.14 0.00 0.00 176.83 176.97 1jp3 h PHE 56 N 1.12 0.72 -0.46 3.45 3.57 -0.70 0.96 116.94 125.59 1jp3 h PHE 56 Ca 0.28 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1jp3 h PHE 56 Cb 0.09 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 1jp3 h PHE 56 CO 0.01 0.53 0.17 0.00 -2.23 0.00 0.00 178.31 176.78 1jp3 h ALA 57 N 1.12 0.60 -0.62 2.41 0.00 -0.83 -1.31 119.26 120.63 1jp3 h ALA 57 Ca 0.18 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1jp3 h ALA 57 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1jp3 h ALA 57 CO -0.03 0.23 0.08 0.00 0.00 0.00 0.00 179.25 179.54 1jp3 h ALA 58 N 1.01 0.83 0.00 0.00 0.00 -0.86 -1.51 119.26 118.74 1jp3 h ALA 58 Ca 0.15 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jp3 h ALA 58 Cb 0.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jp3 h ALA 58 CO -0.01 0.61 0.00 -0.91 0.00 0.00 0.00 179.25 178.94 1jp3 h ASN 59 N 0.96 0.00 -0.21 0.00 -0.26 -0.58 -3.16 115.58 112.33 1jp3 h ASN 59 Ca 0.19 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.85 1jp3 h ASN 59 Cb 0.46 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.67 1jp3 h ASN 59 CO 0.02 0.00 -0.14 0.59 -1.06 0.00 0.00 177.43 176.84 1jp3 n ASN 60 N -2.82 2.57 -1.10 5.81 3.02 -0.52 -4.98 115.26 117.25 1jp3 n ASN 60 Ca 0.01 -3.55 -0.14 0.00 -0.03 0.00 0.00 54.58 50.87 1jp3 n ASN 60 Cb 0.29 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.06 1.48 3.71 7.41 0.00 -1.17 -4.97 105.19 110.59 1jp3 n GLY 61 Ca 0.25 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.49 4.33 0.16 -0.61 1.01 -0.59 -4.92 121.20 118.09 1jp3 s ILE 62 Ca 0.00 1.67 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 1jp3 s ILE 62 Cb 0.00 -4.07 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 1jp3 s ILE 62 CO 0.00 0.10 1.40 -0.33 0.00 0.00 0.00 174.94 176.11 1jp3 h GLU 63 N 6.94 0.42 -3.33 2.79 5.08 -1.41 -3.42 114.58 121.65 1jp3 h GLU 63 Ca -0.40 -0.36 -0.17 0.00 -1.00 0.00 0.00 59.36 57.43 1jp3 h GLU 63 Cb 1.20 0.08 -0.25 0.00 0.50 0.00 0.00 28.75 30.29 1jp3 h GLU 63 CO 0.81 1.01 -0.50 0.00 -1.00 0.00 0.00 179.01 179.33 1jp3 s ALA 64 N -3.53 -0.44 -0.10 3.43 0.00 -0.67 -1.02 121.76 119.44 1jp3 s ALA 64 Ca -0.06 0.39 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 1jp3 s ALA 64 Cb 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1jp3 s ALA 64 CO 0.85 -0.11 -0.06 -1.17 0.00 0.00 0.00 175.76 175.26 1jp3 s LEU 65 N -0.20 1.11 -0.19 0.00 2.96 -0.27 -1.51 118.68 120.58 1jp3 s LEU 65 Ca -0.03 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.63 1jp3 s LEU 65 Cb -0.03 -0.73 0.01 0.00 0.50 0.00 0.00 46.19 45.94 1jp3 s LEU 65 CO 0.01 -0.12 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.87 1jp3 s THR 66 N 1.62 2.39 -0.12 3.68 2.01 0.11 -0.45 115.64 124.89 1jp3 s THR 66 Ca 0.02 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1jp3 s THR 66 Cb -0.13 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1jp3 s THR 66 CO -0.06 0.51 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.49 1jp3 s LEU 67 N 1.33 2.73 -0.20 4.42 1.43 0.02 0.25 118.68 128.67 1jp3 s LEU 67 Ca 0.05 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1jp3 s LEU 67 Cb -0.13 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1jp3 s LEU 67 CO -0.10 0.20 -0.08 -0.47 0.23 0.00 0.00 176.35 176.13 1jp3 s TYR 68 N 0.16 2.22 -0.49 0.29 6.14 -0.48 -0.89 117.35 124.31 1jp3 s TYR 68 Ca -0.07 -1.50 -0.29 0.00 0.64 0.00 0.00 57.07 55.85 1jp3 s TYR 68 Cb -0.15 -1.54 0.03 0.00 0.42 0.00 0.00 41.96 40.72 1jp3 s TYR 68 CO 0.05 -0.72 1.14 0.00 0.64 0.00 0.00 175.55 176.65 1jp3 s ALA 69 N 1.46 3.14 -0.02 3.97 0.00 -1.26 -4.34 121.76 124.71 1jp3 s ALA 69 Ca -0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.12 1jp3 s ALA 69 Cb -0.17 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 1jp3 s ALA 69 CO -0.08 -2.29 1.12 0.12 0.00 0.00 0.00 175.76 174.63 1jp3 s PHE 70 N 4.48 3.42 0.00 0.00 5.36 -1.26 -5.07 117.98 124.91 1jp3 s PHE 70 Ca 0.47 1.41 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1jp3 s PHE 70 Cb -0.07 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.29 1jp3 s PHE 70 CO 0.31 -0.84 0.00 -1.13 -1.46 0.00 0.00 175.22 172.11 1jp3 n SER 71 N 4.51 0.00 0.24 6.13 3.41 -1.26 -4.82 113.62 121.83 1jp3 n SER 71 Ca 0.09 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.86 1jp3 n SER 71 Cb 0.48 0.00 0.87 0.00 -0.26 0.00 0.00 64.21 65.29 1jp3 n SER 71 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1jp3 h SER 83 N 0.00 0.00 -0.06 4.04 4.64 -2.07 -3.55 113.55 116.55 1jp3 h SER 83 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1jp3 h SER 83 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jp3 h SER 83 CO 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.92 1jp3 h ALA 84 N 2.01 0.09 0.00 5.18 0.00 -2.09 -2.16 119.26 122.29 1jp3 h ALA 84 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jp3 h ALA 84 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jp3 h ALA 84 CO 0.00 -0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1jp3 n LEU 85 N -4.77 0.03 0.00 0.00 4.77 -1.26 -1.67 117.00 114.11 1jp3 n LEU 85 Ca -0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1jp3 n LEU 85 Cb 0.27 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1jp3 n LEU 85 CO 0.35 0.01 0.00 -0.62 -1.33 0.00 0.00 177.39 175.80 1jp3 n GLU 87 N 0.65 0.00 0.10 3.23 -0.58 -0.81 -1.57 120.64 121.66 1jp3 n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1jp3 n GLU 87 Cb 0.01 0.00 0.31 0.00 -0.57 0.00 0.00 31.44 31.19 1jp3 n GLU 87 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1jp3 h LEU 88 N 0.00 0.24 -0.23 -4.62 5.85 -1.59 -0.62 115.31 114.34 1jp3 h LEU 88 Ca 0.00 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1jp3 h LEU 88 Cb 0.00 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1jp3 h LEU 88 CO 0.00 0.50 -0.16 0.15 -0.34 0.00 0.00 178.44 178.59 1jp3 h PHE 89 N 0.22 0.61 -0.20 1.25 3.57 -1.57 0.48 116.94 121.31 1jp3 h PHE 89 Ca 0.04 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.40 1jp3 h PHE 89 Cb 0.57 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 1jp3 h PHE 89 CO 0.01 0.82 0.03 0.28 -2.23 0.00 0.00 178.31 177.22 1jp3 h VAL 90 N 0.22 0.91 -0.33 1.41 2.07 -1.75 0.01 116.25 118.79 1jp3 h VAL 90 Ca 0.05 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.54 1jp3 h VAL 90 Cb 0.69 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1jp3 h VAL 90 CO 0.04 0.02 0.21 -0.25 0.02 0.00 0.00 177.57 177.61 1jp3 h TRP 91 N 0.11 0.39 -0.35 1.57 7.01 -1.01 -0.02 115.95 123.66 1jp3 h TRP 91 Ca 0.09 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1jp3 h TRP 91 Cb 0.09 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 1jp3 h TRP 91 CO -0.15 0.24 0.23 0.00 -2.79 0.00 0.00 178.44 175.97 1jp3 h ALA 92 N 1.13 0.44 -0.12 2.65 0.00 -0.56 -1.24 119.26 121.56 1jp3 h ALA 92 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jp3 h ALA 92 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1jp3 h ALA 92 CO -0.04 -0.10 0.05 -0.07 0.00 0.00 0.00 179.25 179.08 1jp3 h LEU 93 N 0.46 0.06 -2.06 0.00 3.38 -0.68 -0.86 115.31 115.62 1jp3 h LEU 93 Ca 0.13 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1jp3 h LEU 93 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jp3 h LEU 93 CO -0.03 0.05 0.10 0.44 0.09 0.00 0.00 178.44 179.09 1jp3 h ASP 94 N 0.11 0.00 0.24 -0.43 5.19 -0.59 -2.50 116.42 118.43 1jp3 h ASP 94 Ca 0.05 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.33 1jp3 h ASP 94 Cb 0.02 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 1jp3 h ASP 94 CO -0.05 0.00 -1.89 -1.54 -3.12 0.00 0.00 179.24 172.65 1jp3 n SER 95 N -4.39 0.25 -0.01 6.45 3.41 -0.51 -4.64 113.62 114.18 1jp3 n SER 95 Ca 0.00 0.11 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 1jp3 n SER 95 Cb 0.22 1.22 -0.10 0.00 -0.26 0.00 0.00 64.21 65.29 1jp3 n SER 95 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jp3 n GLU 96 N -2.55 0.57 -0.29 4.33 -0.58 -0.38 -4.71 120.64 117.03 1jp3 n GLU 96 Ca -0.12 -0.11 -0.04 0.00 -0.42 0.00 0.00 57.16 56.46 1jp3 n GLU 96 Cb 0.77 -1.31 0.07 0.00 -0.57 0.00 0.00 31.44 30.40 1jp3 n GLU 96 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1jp3 h VAL 97 N 0.00 1.21 -0.99 2.62 2.07 -1.64 -2.29 116.25 117.22 1jp3 h VAL 97 Ca -0.03 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.11 1jp3 h VAL 97 Cb 0.73 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 1jp3 h VAL 97 CO 0.00 0.21 0.65 0.11 0.02 0.00 0.00 177.57 178.56 1jp3 h LYS 98 N 1.07 1.21 -0.36 1.57 1.57 -1.84 0.96 116.57 120.75 1jp3 h LYS 98 Ca 0.29 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1jp3 h LYS 98 Cb -0.09 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 31.94 1jp3 h LYS 98 CO -0.06 0.80 -0.15 1.03 -0.57 0.00 0.00 179.45 180.51 1jp3 h SER 99 N 1.25 0.75 -0.84 0.86 0.87 -1.79 -1.47 113.55 113.19 1jp3 h SER 99 Ca 0.40 -0.40 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1jp3 h SER 99 Cb 0.01 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.72 1jp3 h SER 99 CO -0.13 0.98 0.55 -0.07 -0.53 0.00 0.00 176.83 177.63 1jp3 h LEU 100 N 0.52 0.94 -0.51 2.23 3.38 -0.83 -0.94 115.31 120.10 1jp3 h LEU 100 Ca 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1jp3 h LEU 100 Cb 0.68 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1jp3 h LEU 100 CO 0.05 0.67 0.34 -0.74 0.09 0.00 0.00 178.44 178.84 1jp3 h HIS 101 N 1.10 0.64 0.00 1.13 2.76 -0.57 -0.80 115.15 119.41 1jp3 h HIS 101 Ca 0.32 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.46 1jp3 h HIS 101 Cb -0.09 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 1jp3 h HIS 101 CO -0.02 0.40 -0.19 0.00 -1.30 0.00 0.00 177.93 176.83 1jp3 h ARG 102 N 0.69 0.00 -0.17 5.26 3.08 -0.77 -1.69 114.38 120.78 1jp3 h ARG 102 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1jp3 h ARG 102 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1jp3 h ARG 102 CO -0.04 0.19 0.00 0.72 -1.07 0.00 0.00 179.97 179.76 1jp3 n HIS 103 N -3.85 0.23 -2.74 3.04 8.25 -0.40 -4.89 115.22 114.86 1jp3 n HIS 103 Ca -0.02 -0.11 -0.19 0.00 -0.26 0.00 0.00 57.72 57.14 1jp3 n HIS 103 Cb 0.28 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 0.02 -5.37 -4.79 0.41 5.15 -0.63 -4.80 115.26 105.25 1jp3 n ASN 104 Ca 0.09 -0.18 -0.37 0.00 -0.60 0.00 0.00 54.58 53.53 1jp3 n ASN 104 Cb 0.18 -4.27 -0.07 0.00 -0.53 0.00 0.00 39.78 35.09 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 -3.03 5.33 -0.19 3.44 1.01 -0.55 -0.39 120.40 126.03 1jp3 s VAL 105 Ca 0.18 0.45 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 1jp3 s VAL 105 Cb -0.08 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1jp3 s VAL 105 CO 0.23 0.49 0.30 -0.60 0.00 0.00 0.00 175.10 175.52 1jp3 s ARG 106 N -0.24 4.20 -0.16 2.72 3.52 -0.26 -4.38 118.95 124.35 1jp3 s ARG 106 Ca 0.16 0.06 -0.06 0.00 -0.13 0.00 0.00 55.73 55.76 1jp3 s ARG 106 Cb -0.13 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1jp3 s ARG 106 CO 0.05 0.11 0.05 -1.17 -0.81 0.00 0.00 175.30 173.53 1jp3 s LEU 107 N 0.85 3.76 -0.00 -0.88 2.96 -1.26 -0.27 118.68 123.84 1jp3 s LEU 107 Ca 0.16 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1jp3 s LEU 107 Cb -0.14 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 1jp3 s LEU 107 CO 0.05 0.22 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.70 1jp3 s ARG 108 N 0.06 0.07 -0.18 1.98 3.00 -0.24 -4.35 118.95 119.30 1jp3 s ARG 108 Ca 0.05 -0.03 -0.06 0.00 -1.00 0.00 0.00 55.73 54.69 1jp3 s ARG 108 Cb -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 34.95 34.72 1jp3 s ARG 108 CO 0.01 0.02 0.02 0.42 0.00 0.00 0.00 175.30 175.77 1jp3 s ILE 109 N -0.01 4.39 -0.06 4.11 -1.09 -1.26 -0.52 121.20 126.76 1jp3 s ILE 109 Ca 0.00 -0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.27 1jp3 s ILE 109 Cb -0.00 -2.96 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 1jp3 s ILE 109 CO -0.00 0.47 -0.11 0.27 -1.23 0.00 0.00 174.94 174.34 1jp3 s ILE 110 N 0.45 3.37 0.00 2.92 -4.36 -0.07 -4.91 121.20 118.59 1jp3 s ILE 110 Ca 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 1jp3 s ILE 110 Cb -0.13 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.23 1jp3 s ILE 110 CO 0.02 0.59 0.00 0.61 0.24 0.00 0.00 174.94 176.40 1jp3 n GLY 111 N 2.32 2.01 3.45 6.27 0.00 -1.26 -1.00 105.19 116.99 1jp3 n GLY 111 Ca -0.18 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 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 6.37 0.00 1.61 2.15 -0.44 -4.78 116.67 121.58 1jp3 s ASP 112 Ca 0.00 -1.45 0.25 0.00 0.43 0.00 0.00 52.55 51.78 1jp3 s ASP 112 Cb 0.00 -2.41 0.41 0.00 -0.30 0.00 0.00 42.92 40.61 1jp3 s ASP 112 CO 0.00 -1.28 1.38 0.35 -0.17 0.00 0.00 175.17 175.45 1jp3 n THR 113 N 5.79 0.01 -0.20 1.71 -2.24 -1.26 -4.53 114.28 113.56 1jp3 n THR 113 Ca 0.09 -0.44 0.24 0.00 -2.27 0.00 0.00 64.05 61.67 1jp3 n THR 113 Cb 0.47 1.24 0.63 0.00 -2.10 0.00 0.00 70.33 70.57 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 4.11 0.18 -0.48 3.42 4.64 -1.98 -1.56 113.55 121.88 1jp3 h SER 114 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jp3 h SER 114 Cb 0.87 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1jp3 h SER 114 CO 0.00 0.07 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 1jp3 n ARG 115 N -4.39 2.82 -1.49 4.77 1.74 -1.26 -4.96 116.66 113.89 1jp3 n ARG 115 Ca 0.19 -2.27 -0.31 0.00 -0.77 0.00 0.00 57.85 54.69 1jp3 n ARG 115 Cb 0.84 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 30.96 1jp3 n ARG 115 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1jp3 s PHE 116 N -1.00 2.98 0.63 -1.55 0.08 -0.59 -4.96 117.98 113.57 1jp3 s PHE 116 Ca 0.32 1.45 -0.19 0.00 0.12 0.00 0.00 56.93 58.64 1jp3 s PHE 116 Cb 0.17 -2.92 -0.02 0.00 -0.57 0.00 0.00 43.02 39.68 1jp3 s PHE 116 CO 0.22 -1.38 1.31 0.54 -0.10 0.00 0.00 175.22 175.81 1jp3 s ASN 117 N -3.70 4.71 0.35 1.36 2.20 -1.26 -4.71 114.94 113.89 1jp3 s ASN 117 Ca 0.59 2.65 0.09 0.00 -0.94 0.00 0.00 52.86 55.25 1jp3 s ASN 117 Cb -0.15 -2.62 0.84 0.00 -2.00 0.00 0.00 41.25 37.32 1jp3 s ASN 117 CO 0.55 -1.94 1.84 0.77 -2.94 0.00 0.00 177.10 175.38 1jp3 h SER 118 N 0.69 0.66 -0.49 3.54 4.64 -1.96 -0.99 113.55 119.65 1jp3 h SER 118 Ca -0.51 0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 60.76 1jp3 h SER 118 Cb 1.33 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 1jp3 h SER 118 CO 0.54 0.29 -0.11 -0.09 -0.87 0.00 0.00 176.83 176.59 1jp3 h ARG 119 N 0.67 0.96 -0.22 4.77 2.43 -1.99 -1.25 114.38 119.76 1jp3 h ARG 119 Ca 0.50 -0.35 -0.19 0.00 -0.81 0.00 0.00 59.98 59.13 1jp3 h ARG 119 Cb 0.86 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1jp3 h ARG 119 CO -0.25 1.02 -0.63 1.25 -1.51 0.00 0.00 179.97 179.84 1jp3 h LEU 120 N 0.86 0.87 -1.00 3.80 5.85 -1.67 -1.84 115.31 122.18 1jp3 h LEU 120 Ca 0.14 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1jp3 h LEU 120 Cb 0.66 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1jp3 h LEU 120 CO 0.05 1.28 0.62 1.56 -0.34 0.00 0.00 178.44 181.61 1jp3 h GLN 121 N 0.56 1.30 -0.32 1.25 4.20 -1.04 -1.39 115.11 119.67 1jp3 h GLN 121 Ca -0.01 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 1jp3 h GLN 121 Cb 1.23 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 1jp3 h GLN 121 CO 0.13 0.88 -0.28 1.49 -0.67 0.00 0.00 178.83 180.38 1jp3 h GLU 122 N 1.33 0.67 -0.36 1.46 4.57 -1.03 -1.67 114.58 119.54 1jp3 h GLU 122 Ca 0.35 -0.29 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 1jp3 h GLU 122 Cb -0.11 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1jp3 h GLU 122 CO -0.07 0.87 -0.13 0.00 -1.18 0.00 0.00 179.01 178.50 1jp3 h ARG 123 N 0.57 0.63 -0.17 1.92 2.47 -0.88 -0.23 114.38 118.70 1jp3 h ARG 123 Ca 0.07 -0.20 -0.06 0.00 -1.26 0.00 0.00 59.98 58.53 1jp3 h ARG 123 Cb 0.78 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1jp3 h ARG 123 CO 0.06 0.75 -0.12 0.82 0.56 0.00 0.00 179.97 182.04 1jp3 h ILE 124 N 0.58 1.33 -0.63 2.04 2.04 -1.13 -1.54 117.51 120.19 1jp3 h ILE 124 Ca 0.10 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.75 1jp3 h ILE 124 Cb 0.56 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1jp3 h ILE 124 CO 0.04 0.37 0.40 -0.09 0.00 0.00 0.00 178.15 178.86 1jp3 h ARG 125 N 0.04 0.78 -0.44 2.37 2.43 -1.07 0.74 114.38 119.24 1jp3 h ARG 125 Ca 0.03 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1jp3 h ARG 125 Cb 0.63 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1jp3 h ARG 125 CO 0.03 0.52 -0.15 0.87 -1.51 0.00 0.00 179.97 179.73 1jp3 h LYS 126 N 0.80 0.81 -0.42 0.20 1.57 -1.00 0.75 116.57 119.28 1jp3 h LYS 126 Ca 0.24 -0.29 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1jp3 h LYS 126 Cb -0.03 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1jp3 h LYS 126 CO -0.08 0.91 -0.26 0.77 -0.57 0.00 0.00 179.45 180.22 1jp3 h SER 127 N 0.73 0.96 -0.33 0.86 0.02 -0.72 -0.72 113.55 114.35 1jp3 h SER 127 Ca 0.11 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 1jp3 h SER 127 Cb 0.65 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1jp3 h SER 127 CO 0.05 1.17 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.54 1jp3 h GLU 128 N 0.74 0.61 -0.63 3.45 5.08 -0.69 -2.97 114.58 120.17 1jp3 h GLU 128 Ca 0.09 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jp3 h GLU 128 Cb 0.84 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1jp3 h GLU 128 CO 0.07 0.75 0.38 0.00 -1.00 0.00 0.00 179.01 179.21 1jp3 h ALA 129 N 0.83 0.80 -0.78 3.43 0.00 -0.74 -0.12 119.26 122.69 1jp3 h ALA 129 Ca 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jp3 h ALA 129 Cb 0.50 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1jp3 h ALA 129 CO 0.02 0.29 0.52 1.25 0.00 0.00 0.00 179.25 181.33 1jp3 h LEU 130 N 0.86 0.89 -2.25 0.00 5.85 -1.12 -3.04 115.31 116.50 1jp3 h LEU 130 Ca 0.23 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1jp3 h LEU 130 Cb -0.02 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.79 1jp3 h LEU 130 CO -0.04 0.65 0.00 0.35 -0.34 0.00 0.00 178.44 179.06 1jp3 n THR 131 N -4.54 0.43 0.22 1.05 -2.24 -1.11 -4.61 114.28 103.47 1jp3 n THR 131 Ca 0.08 -0.71 0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1jp3 n THR 131 Cb 0.01 1.04 0.73 0.00 -2.10 0.00 0.00 70.33 70.02 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 4.55 1.95 -0.06 6.98 0.00 -0.89 -1.41 119.26 130.37 1jp3 h ALA 132 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jp3 h ALA 132 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1jp3 h ALA 132 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.53 1jp3 n GLY 133 N -1.49 0.32 3.77 0.00 0.00 -1.26 -4.94 105.19 101.58 1jp3 n GLY 133 Ca -0.01 -0.50 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.91 6.43 0.00 1.61 0.01 -0.53 -4.94 114.94 115.60 1jp3 s ASN 134 Ca 0.35 2.57 0.11 0.00 -0.71 0.00 0.00 52.86 55.18 1jp3 s ASN 134 Cb 0.20 -2.63 0.26 0.00 0.41 0.00 0.00 41.25 39.49 1jp3 s ASN 134 CO 0.32 -0.76 1.17 0.35 -1.51 0.00 0.00 177.10 176.66 1jp3 n THR 135 N 0.21 0.79 0.00 1.60 -2.24 -1.25 -4.53 114.28 108.86 1jp3 n THR 135 Ca 0.03 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.92 1jp3 n THR 135 Cb 0.44 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.53 1.13 3.75 3.38 0.00 0.48 -4.96 105.19 109.50 1jp3 n GLY 136 Ca 0.10 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1jp3 n GLY 136 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jp3 s LEU 137 N 0.00 4.38 -0.26 0.99 2.96 -1.25 -4.74 118.68 120.76 1jp3 s LEU 137 Ca 0.00 2.74 -0.12 0.00 -0.22 0.00 0.00 54.13 56.53 1jp3 s LEU 137 Cb 0.00 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.01 1jp3 s LEU 137 CO 0.00 -0.74 0.22 -0.89 -1.32 0.00 0.00 176.35 173.62 1jp3 s THR 138 N -0.11 5.30 -0.31 3.68 2.01 -0.19 -1.10 115.64 124.92 1jp3 s THR 138 Ca 0.59 0.26 -0.09 0.00 0.31 0.00 0.00 61.69 62.77 1jp3 s THR 138 Cb -0.43 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1jp3 s THR 138 CO 0.45 0.27 0.13 -0.22 -0.69 0.00 0.00 174.62 174.56 1jp3 s LEU 139 N 1.55 4.06 -0.23 4.42 2.96 0.63 -1.12 118.68 130.96 1jp3 s LEU 139 Ca 0.09 -0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 1jp3 s LEU 139 Cb -0.15 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1jp3 s LEU 139 CO 0.09 -0.21 0.07 0.20 -1.32 0.00 0.00 176.35 175.18 1jp3 s ASN 140 N 1.57 5.31 -0.18 3.68 0.01 0.41 -1.08 114.94 124.65 1jp3 s ASN 140 Ca 0.04 -0.11 -0.03 0.00 -0.71 0.00 0.00 52.86 52.04 1jp3 s ASN 140 Cb -0.17 -1.94 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 1jp3 s ASN 140 CO 0.05 0.03 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.99 1jp3 s ILE 141 N 1.24 3.56 0.09 0.60 -1.09 0.33 -0.80 121.20 125.13 1jp3 s ILE 141 Ca 0.05 -0.45 -0.28 0.00 -2.23 0.00 0.00 60.65 57.73 1jp3 s ILE 141 Cb -0.14 -2.58 -0.06 0.00 -1.58 0.00 0.00 42.46 38.09 1jp3 s ILE 141 CO 0.04 0.46 0.89 0.00 -1.23 0.00 0.00 174.94 175.10 1jp3 s ALA 142 N 0.89 3.29 -0.14 9.38 0.00 -0.07 -0.90 121.76 134.23 1jp3 s ALA 142 Ca -0.01 0.47 -0.04 0.00 0.00 0.00 0.00 51.96 52.39 1jp3 s ALA 142 Cb -0.15 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1jp3 s ALA 142 CO 0.01 0.02 0.08 0.00 0.00 0.00 0.00 175.76 175.87 1jp3 s ALA 143 N -0.07 0.42 -1.39 0.00 0.00 -0.17 -4.68 121.76 115.87 1jp3 s ALA 143 Ca 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.17 1jp3 s ALA 143 Cb -0.22 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 21.98 1jp3 s ALA 143 CO 0.27 -0.99 0.60 -1.71 0.00 0.00 0.00 175.76 173.93 1jp3 n ASN 144 N 5.27 -1.18 -4.78 0.00 5.15 -1.26 -3.30 115.26 115.15 1jp3 n ASN 144 Ca -0.06 -0.91 -0.33 0.00 -0.60 0.00 0.00 54.58 52.67 1jp3 n ASN 144 Cb 0.49 -3.50 -0.07 0.00 -0.53 0.00 0.00 39.78 36.17 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 -3.75 3.29 -0.05 1.20 6.14 -1.26 -1.33 117.35 121.58 1jp3 s TYR 145 Ca 0.10 0.21 -0.05 0.00 0.64 0.00 0.00 57.07 57.97 1jp3 s TYR 145 Cb -0.05 -1.74 0.01 0.00 0.42 0.00 0.00 41.96 40.60 1jp3 s TYR 145 CO 0.86 0.55 0.14 0.20 0.64 0.00 0.00 175.55 177.93 1jp3 s GLY 146 N -1.71 -0.10 0.24 8.97 0.00 -1.26 -4.89 107.32 108.57 1jp3 s GLY 146 Ca 0.23 0.37 -0.06 0.00 0.00 0.00 0.00 44.72 45.26 1jp3 s GLY 146 CO 0.13 0.31 1.81 -1.33 0.00 0.00 0.00 173.10 174.03 1jp3 h GLY 147 N 5.89 1.18 1.03 0.20 0.00 -0.25 -1.41 103.07 109.71 1jp3 h GLY 147 Ca -0.25 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.33 1jp3 h GLY 147 CO 0.42 0.60 -0.16 3.21 0.00 0.00 0.00 176.54 180.61 1jp3 h ARG 148 N 1.08 0.86 -0.80 4.80 3.08 -1.82 -2.50 114.38 119.08 1jp3 h ARG 148 Ca 0.25 -0.36 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1jp3 h ARG 148 Cb 0.21 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1jp3 h ARG 148 CO -0.02 1.00 0.50 2.35 -1.07 0.00 0.00 179.97 182.72 1jp3 h TRP 149 N 0.68 0.93 -0.28 3.04 7.01 -1.88 0.11 115.95 125.56 1jp3 h TRP 149 Ca 0.10 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.14 1jp3 h TRP 149 Cb 0.72 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 1jp3 h TRP 149 CO 0.05 0.50 0.13 0.22 -2.79 0.00 0.00 178.44 176.56 1jp3 h ASP 150 N 0.94 0.19 -0.33 2.65 3.58 -1.13 0.28 116.42 122.60 1jp3 h ASP 150 Ca 0.33 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.77 1jp3 h ASP 150 Cb 0.09 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1jp3 h ASP 150 CO -0.14 0.15 0.11 0.40 -2.88 0.00 0.00 179.24 176.87 1jp3 h ILE 151 N 0.28 1.20 -0.97 2.25 2.04 -1.06 -2.64 117.51 118.61 1jp3 h ILE 151 Ca 0.12 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1jp3 h ILE 151 Cb 0.04 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.08 1jp3 h ILE 151 CO -0.08 0.22 0.65 0.58 0.00 0.00 0.00 178.15 179.51 1jp3 h VAL 152 N 0.38 1.25 -0.55 1.67 2.07 -0.29 0.27 116.25 121.05 1jp3 h VAL 152 Ca 0.11 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1jp3 h VAL 152 Cb 0.23 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 1jp3 h VAL 152 CO -0.00 0.24 0.10 0.06 0.02 0.00 0.00 177.57 177.99 1jp3 h GLN 153 N 1.32 0.86 -0.33 1.57 -0.00 -0.29 0.87 115.11 119.10 1jp3 h GLN 153 Ca 0.36 -0.19 -0.14 0.00 -0.00 0.00 0.00 58.65 58.68 1jp3 h GLN 153 Cb -0.15 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.20 1jp3 h GLN 153 CO -0.08 0.79 -0.34 0.78 -0.00 0.00 0.00 178.83 179.98 1jp3 h GLY 154 N 0.99 0.81 1.02 0.06 0.00 -1.03 -2.49 103.07 102.43 1jp3 h GLY 154 Ca 0.17 -0.77 -0.03 0.00 0.00 0.00 0.00 47.33 46.70 1jp3 h GLY 154 CO 0.00 0.70 0.35 -2.08 0.00 0.00 0.00 176.54 175.51 1jp3 h VAL 155 N 0.62 1.24 -0.92 4.60 2.07 0.07 -2.07 116.25 121.87 1jp3 h VAL 155 Ca 0.06 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1jp3 h VAL 155 Cb 0.87 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1jp3 h VAL 155 CO 0.08 0.29 0.59 0.03 0.02 0.00 0.00 177.57 178.57 1jp3 h ARG 156 N 1.04 1.23 -0.68 1.57 3.08 -0.66 0.12 114.38 120.09 1jp3 h ARG 156 Ca 0.25 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1jp3 h ARG 156 Cb 0.13 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1jp3 h ARG 156 CO -0.03 0.84 0.39 1.96 -1.07 0.00 0.00 179.97 182.06 1jp3 h GLN 157 N 1.26 0.93 -0.29 0.04 4.20 -0.99 0.14 115.11 120.40 1jp3 h GLN 157 Ca 0.34 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 1jp3 h GLN 157 Cb -0.10 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 1jp3 h GLN 157 CO -0.07 0.68 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.41 1jp3 h LEU 158 N 0.92 0.61 -0.65 1.46 3.38 -0.87 -2.69 115.31 117.48 1jp3 h LEU 158 Ca 0.24 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1jp3 h LEU 158 Cb 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1jp3 h LEU 158 CO -0.04 0.88 0.17 0.00 0.09 0.00 0.00 178.44 179.53 1jp3 h ALA 159 N 1.16 0.85 -0.60 1.53 0.00 0.01 -0.99 119.26 121.23 1jp3 h ALA 159 Ca 0.06 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1jp3 h ALA 159 Cb 0.77 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1jp3 h ALA 159 CO 0.06 0.56 0.32 0.93 0.00 0.00 0.00 179.25 181.12 1jp3 h GLU 160 N 0.95 0.59 -0.19 0.00 5.08 -0.52 -0.05 114.58 120.44 1jp3 h GLU 160 Ca 0.20 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1jp3 h GLU 160 Cb 0.35 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1jp3 h GLU 160 CO 0.00 0.39 -0.20 0.87 -1.00 0.00 0.00 179.01 179.07 1jp3 h LYS 161 N 0.60 0.33 -0.19 2.33 1.57 -1.11 -2.08 116.57 118.02 1jp3 h LYS 161 Ca 0.27 -0.10 -0.16 0.00 -1.87 0.00 0.00 60.65 58.79 1jp3 h LYS 161 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1jp3 h LYS 161 CO -0.18 0.52 -0.49 0.28 -0.57 0.00 0.00 179.45 179.01 1jp3 h VAL 162 N 0.31 1.32 0.00 0.50 2.07 -0.23 -2.11 116.25 118.10 1jp3 h VAL 162 Ca 0.05 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1jp3 h VAL 162 Cb 0.52 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1jp3 h VAL 162 CO 0.03 0.54 0.00 1.67 0.02 0.00 0.00 177.57 179.83 1jp3 n GLN 163 N -4.16 0.13 0.03 1.57 7.27 -0.12 -1.71 117.38 120.38 1jp3 n GLN 163 Ca -0.06 0.39 0.11 0.00 0.07 0.00 0.00 57.00 57.51 1jp3 n GLN 163 Cb 0.59 -1.76 -0.02 0.00 2.41 0.00 0.00 30.24 31.47 1jp3 n GLN 163 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1jp3 n GLN 164 N -2.00 0.37 -0.42 3.69 6.02 -0.80 -4.98 117.38 119.26 1jp3 n GLN 164 Ca 0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1jp3 n GLN 164 Cb 0.19 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1jp3 n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jp3 n GLY 165 N 1.34 0.77 0.36 1.08 0.00 -0.70 -4.92 105.19 103.12 1jp3 n GLY 165 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 1.13 -3.70 1.61 5.03 -0.83 -4.82 115.26 113.67 1jp3 n ASN 166 Ca 0.00 -1.41 -0.11 0.00 0.87 0.00 0.00 54.58 53.93 1jp3 n ASN 166 Cb 0.00 -0.01 -0.11 0.00 -1.02 0.00 0.00 39.78 38.64 1jp3 n ASN 166 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1jp3 s LEU 167 N -1.93 -0.01 0.05 3.41 2.96 -1.13 -4.96 118.68 117.06 1jp3 s LEU 167 Ca 0.39 0.90 -0.18 0.00 -0.22 0.00 0.00 54.13 55.02 1jp3 s LEU 167 Cb 0.20 1.39 -0.06 0.00 0.50 0.00 0.00 46.19 48.23 1jp3 s LEU 167 CO 0.33 -0.18 0.52 -1.10 -1.32 0.00 0.00 176.35 174.59 1jp3 s GLN 168 N 1.16 4.11 0.37 1.98 -1.52 -1.26 -4.21 119.66 120.28 1jp3 s GLN 168 Ca -0.08 0.63 0.12 0.00 -1.95 0.00 0.00 55.36 54.09 1jp3 s GLN 168 Cb -0.07 -3.23 0.92 0.00 -0.22 0.00 0.00 33.01 30.40 1jp3 s GLN 168 CO -0.10 0.65 1.83 -1.35 -0.25 0.00 0.00 175.29 176.07 1jp3 h PRO 169 N 4.60 0.57 -0.17 2.91 0.11 -1.99 -0.29 132.00 137.74 1jp3 h PRO 169 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1jp3 h PRO 169 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1jp3 h PRO 169 CO 0.63 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.39 1jp3 n ASP 170 N -4.60 0.63 0.00 -2.05 5.68 -1.26 -2.56 116.55 112.39 1jp3 n ASP 170 Ca 0.20 -2.01 0.11 0.00 -0.50 0.00 0.00 54.79 52.59 1jp3 n ASP 170 Cb 0.61 -0.11 -0.13 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.19 0.50 -1.93 0.11 6.02 -0.12 -4.89 117.38 116.89 1jp3 n GLN 171 Ca 0.03 -0.12 -0.43 0.00 -0.01 0.00 0.00 57.00 56.47 1jp3 n GLN 171 Cb 0.11 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 29.80 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 -3.39 3.42 0.40 5.09 1.01 -1.06 -4.98 121.20 121.70 1jp3 s ILE 172 Ca -0.04 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.12 1jp3 s ILE 172 Cb 0.14 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 1jp3 s ILE 172 CO 0.89 -0.22 0.15 -0.90 0.00 0.00 0.00 174.94 174.85 1jp3 n ASP 173 N 9.38 1.18 -0.07 3.58 5.68 -1.26 -5.01 116.55 130.03 1jp3 n ASP 173 Ca 0.22 -3.16 -0.07 0.00 -0.50 0.00 0.00 54.79 51.29 1jp3 n ASP 173 Cb 0.45 1.04 -0.01 0.00 -1.14 0.00 0.00 41.12 41.46 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 -0.01 0.00 0.11 5.08 -2.04 -0.44 114.58 117.28 1jp3 h GLU 174 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1jp3 h GLU 174 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1jp3 h GLU 174 CO 0.50 -0.01 0.00 -1.91 -1.00 0.00 0.00 179.01 176.59 1jp3 n GLU 175 N -5.25 0.00 0.00 2.33 4.07 -1.26 0.31 120.64 120.83 1jp3 n GLU 175 Ca -0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1jp3 n GLU 175 Cb 0.17 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.69 1jp3 n GLU 175 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1jp3 n LEU 177 N 0.05 0.00 -0.25 4.31 7.94 -0.17 -2.14 117.00 126.74 1jp3 n LEU 177 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 1jp3 n LEU 177 Cb 0.00 0.00 0.41 0.00 0.53 0.00 0.00 43.42 44.36 1jp3 n LEU 177 CO 0.00 0.00 1.22 -1.13 -1.11 0.00 0.00 177.39 176.37 1jp3 h ASN 178 N 0.00 0.60 0.21 1.96 -1.24 -0.39 0.27 115.58 116.99 1jp3 h ASN 178 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1jp3 h ASN 178 Cb 0.00 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1jp3 h ASN 178 CO 0.00 0.30 0.00 0.00 -1.29 0.00 0.00 177.43 176.44 1jp3 n GLN 179 N -4.55 0.42 -0.00 6.67 1.13 -0.91 -3.09 117.38 117.05 1jp3 n GLN 179 Ca 0.17 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1jp3 n GLN 179 Cb 0.49 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.16 0.00 -4.02 1.08 8.25 0.94 -4.93 115.22 115.38 1jp3 n HIS 180 Ca 0.12 -0.50 -0.21 0.00 -0.26 0.00 0.00 57.72 56.86 1jp3 n HIS 180 Cb 0.12 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.04 4.54 -0.21 1.59 -7.23 -1.11 -3.77 120.40 113.17 1jp3 s VAL 181 Ca 0.02 -1.28 -0.22 0.00 -1.81 0.00 0.00 61.98 58.69 1jp3 s VAL 181 Cb 0.01 -3.50 -0.26 0.00 0.56 0.00 0.00 36.38 33.20 1jp3 s VAL 181 CO 0.00 -0.32 1.45 0.00 -0.31 0.00 0.00 175.10 175.92 1jp3 n HIS 184 N 9.84 0.00 1.09 0.00 -0.00 -1.26 -5.01 115.22 119.87 1jp3 n HIS 184 Ca 0.34 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 58.20 1jp3 n HIS 184 Cb 0.40 0.00 0.65 0.00 -0.00 0.00 0.00 29.99 31.04 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 -0.06 0.10 -3.12 -1.40 0.00 -1.26 -4.87 120.64 110.02 1jp3 n GLU 185 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.98 1jp3 n GLU 185 Cb 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 29.95 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 -2.90 3.52 0.57 -1.84 1.43 -1.26 -5.06 118.68 113.13 1jp3 s LEU 186 Ca 0.17 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.51 1jp3 s LEU 186 Cb 0.19 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1jp3 s LEU 186 CO 0.51 -0.83 1.32 0.00 0.23 0.00 0.00 176.35 177.58 1jp3 n ALA 187 N -1.86 1.43 -1.74 4.21 0.00 -1.26 -4.92 120.51 116.36 1jp3 n ALA 187 Ca 0.08 0.10 -0.38 0.00 0.00 0.00 0.00 53.44 53.25 1jp3 n ALA 187 Cb 0.60 -2.34 0.05 0.00 0.00 0.00 0.00 19.45 17.76 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 -2.95 2.94 0.10 0.00 0.02 -1.26 -4.82 135.00 129.03 1jp3 s PRO 188 Ca 0.74 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 63.58 1jp3 s PRO 188 Cb -0.41 -2.10 -0.09 0.00 0.02 0.00 0.00 34.50 31.93 1jp3 s PRO 188 CO 0.48 -1.31 1.57 0.08 -0.33 0.00 0.00 177.00 177.48 1jp3 s VAL 189 N -1.36 2.99 -0.13 3.83 1.01 -1.26 -4.31 120.40 121.18 1jp3 s VAL 189 Ca 0.76 0.58 0.16 0.00 0.00 0.00 0.00 61.98 63.47 1jp3 s VAL 189 Cb -0.38 -3.37 -0.22 0.00 0.00 0.00 0.00 36.38 32.40 1jp3 s VAL 189 CO 0.44 0.02 0.15 0.47 0.00 0.00 0.00 175.10 176.17 1jp3 n ASP 190 N 4.83 0.91 -3.72 3.32 8.00 -0.41 -4.24 116.55 125.25 1jp3 n ASP 190 Ca 0.14 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.52 1jp3 n ASP 190 Cb 0.40 1.15 -0.13 0.00 -0.02 0.00 0.00 41.12 42.53 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 -4.96 0.27 -0.12 0.64 2.96 -1.10 -0.96 118.68 115.40 1jp3 s LEU 191 Ca -0.08 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1jp3 s LEU 191 Cb 0.07 0.83 -0.01 0.00 0.50 0.00 0.00 46.19 47.58 1jp3 s LEU 191 CO 0.70 -0.18 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.70 1jp3 s VAL 192 N 1.38 2.81 -0.10 1.68 1.01 0.90 -0.50 120.40 127.58 1jp3 s VAL 192 Ca -0.09 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1jp3 s VAL 192 Cb -0.10 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1jp3 s VAL 192 CO -0.09 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.72 1jp3 s ILE 193 N 0.29 2.53 -0.13 2.22 1.01 0.13 0.25 121.20 127.50 1jp3 s ILE 193 Ca -0.12 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.68 1jp3 s ILE 193 Cb -0.16 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.33 1jp3 s ILE 193 CO 0.06 0.55 -0.15 -0.60 0.00 0.00 0.00 174.94 174.80 1jp3 s ARG 194 N 0.11 2.33 0.52 2.79 3.52 -0.23 -0.38 118.95 127.61 1jp3 s ARG 194 Ca -0.09 -0.59 0.06 0.00 -0.13 0.00 0.00 55.73 54.97 1jp3 s ARG 194 Cb -0.15 -2.03 0.04 0.00 -1.56 0.00 0.00 34.95 31.25 1jp3 s ARG 194 CO 0.06 -0.13 0.72 0.95 -0.81 0.00 0.00 175.30 176.08 1jp3 s THR 195 N 1.18 2.65 0.00 4.11 -4.23 -0.84 -1.38 115.64 117.12 1jp3 s THR 195 Ca -0.02 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1jp3 s THR 195 Cb -0.14 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1jp3 s THR 195 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1jp3 n GLY 196 N -2.17 0.86 1.06 3.99 0.00 0.18 -3.94 105.19 105.16 1jp3 n GLY 196 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 3.26 3.79 -0.02 0.00 -0.91 -4.85 105.19 104.47 1jp3 n GLY 197 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.58 4.40 -0.76 1.61 0.41 -1.26 -4.90 118.70 117.62 1jp3 s GLU 198 Ca 0.00 1.29 0.03 0.00 -0.41 0.00 0.00 54.97 55.88 1jp3 s GLU 198 Cb 0.00 -2.55 0.32 0.00 -1.78 0.00 0.00 34.13 30.11 1jp3 s GLU 198 CO 0.00 0.11 1.21 0.72 -0.49 0.00 0.00 175.26 176.81 1jp3 n HIS 199 N 0.06 3.49 -3.87 1.61 8.25 -1.26 -4.89 115.22 118.62 1jp3 n HIS 199 Ca 0.04 -3.51 -0.09 0.00 -0.26 0.00 0.00 57.72 53.90 1jp3 n HIS 199 Cb 0.51 -0.76 -0.08 0.00 1.12 0.00 0.00 29.99 30.79 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 -3.51 0.79 0.19 -0.41 0.52 -1.26 -5.04 118.95 110.23 1jp3 s ARG 200 Ca 0.43 -0.88 0.19 0.00 -0.52 0.00 0.00 55.73 54.95 1jp3 s ARG 200 Cb 0.22 0.32 -0.00 0.00 0.52 0.00 0.00 34.95 36.00 1jp3 s ARG 200 CO -0.10 -0.24 1.11 0.82 0.02 0.00 0.00 175.30 176.91 1jp3 h ILE 201 N 2.97 0.38 -6.40 1.52 1.08 -1.97 -3.49 117.51 111.60 1jp3 h ILE 201 Ca -0.33 -1.65 -0.49 0.00 -0.39 0.00 0.00 64.86 62.00 1jp3 h ILE 201 Cb 1.19 1.96 -0.07 0.00 -3.07 0.00 0.00 36.82 36.83 1jp3 h ILE 201 CO 0.55 0.22 -0.79 -1.20 -0.69 0.00 0.00 178.15 176.23 1jp3 n SER 202 N -2.93 -3.71 -3.10 1.72 7.64 -1.26 -1.77 113.62 110.21 1jp3 n SER 202 Ca -0.03 -0.86 -0.23 0.00 1.01 0.00 0.00 58.87 58.77 1jp3 n SER 202 Cb 0.70 -3.57 0.03 0.00 -1.01 0.00 0.00 64.21 60.37 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 -2.83 -5.75 -1.53 6.43 5.15 -1.26 -4.94 115.26 110.54 1jp3 n ASN 203 Ca -0.01 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.65 1jp3 n ASN 203 Cb 0.55 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 35.14 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 -4.44 0.00 -1.71 1.20 7.35 -0.73 -0.30 117.46 118.83 1jp3 n PHE 204 Ca -0.09 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.17 1jp3 n PHE 204 Cb 0.61 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.42 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 3.71 0.04 -2.13 4.77 -1.26 -2.33 117.00 119.80 1jp3 n LEU 205 Ca 0.00 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1jp3 n LEU 205 Cb 0.00 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.58 1jp3 n LEU 205 CO 0.00 -0.24 0.00 0.18 -1.33 0.00 0.00 177.39 176.00 1jp3 n LEU 206 N 1.78 0.57 -0.25 2.23 4.77 -1.26 -4.62 117.00 120.21 1jp3 n LEU 206 Ca 0.09 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.23 1jp3 n LEU 206 Cb 0.35 -0.14 0.18 0.00 -2.33 0.00 0.00 43.42 41.47 1jp3 n LEU 206 CO 0.63 -0.66 1.02 -0.25 -1.33 0.00 0.00 177.39 176.79 1jp3 h TRP 207 N 0.00 0.51 0.00 -1.77 2.91 -1.91 -2.58 115.95 113.10 1jp3 h TRP 207 Ca 0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1jp3 h TRP 207 Cb 0.00 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.54 1jp3 h TRP 207 CO 0.00 0.08 0.00 1.96 -1.03 0.00 0.00 178.44 179.45 1jp3 h GLN 208 N 0.45 0.00 -0.48 2.65 7.50 -1.95 -3.17 115.11 120.12 1jp3 h GLN 208 Ca 0.40 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.55 1jp3 h GLN 208 Cb 0.58 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.11 1jp3 h GLN 208 CO -0.39 0.00 0.00 0.44 -1.50 0.00 0.00 178.83 177.38 1jp3 n ILE 209 N -2.97 2.48 -0.30 2.54 -5.35 -0.97 -4.16 119.36 110.62 1jp3 n ILE 209 Ca 0.01 -1.53 0.24 0.00 -0.27 0.00 0.00 62.75 61.19 1jp3 n ILE 209 Cb 0.28 -0.21 0.54 0.00 -1.74 0.00 0.00 39.64 38.51 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 3.25 2.35 0.00 -1.28 0.00 -1.64 -2.59 119.26 119.34 1jp3 h ALA 210 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jp3 h ALA 210 Cb 1.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1jp3 h ALA 210 CO 0.37 -0.72 -0.05 0.66 0.00 0.00 0.00 179.25 179.50 1jp3 n TYR 211 N -4.54 0.00 -3.03 0.00 4.01 -1.26 -5.07 117.16 107.27 1jp3 n TYR 211 Ca 0.24 -0.67 -0.33 0.00 -0.16 0.00 0.00 57.90 56.98 1jp3 n TYR 211 Cb 0.89 -0.10 -0.06 0.00 -0.31 0.00 0.00 39.34 39.76 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 -1.79 3.25 0.22 -0.72 0.00 -0.98 -4.95 121.76 116.79 1jp3 s ALA 212 Ca 0.17 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1jp3 s ALA 212 Cb 0.14 -2.90 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 1jp3 s ALA 212 CO 0.02 0.27 1.15 -2.00 0.00 0.00 0.00 175.76 175.19 1jp3 s GLU 213 N -2.87 4.55 -0.22 0.00 2.56 -0.14 -4.86 118.70 117.73 1jp3 s GLU 213 Ca 0.55 1.84 -0.04 0.00 0.00 0.00 0.00 54.97 57.31 1jp3 s GLU 213 Cb -0.11 -3.22 -0.01 0.00 2.00 0.00 0.00 34.13 32.79 1jp3 s GLU 213 CO 0.17 0.04 -0.03 -0.51 -0.56 0.00 0.00 175.26 174.36 1jp3 s LEU 214 N -0.73 2.95 -0.20 2.70 1.43 -1.26 -0.07 118.68 123.50 1jp3 s LEU 214 Ca 0.49 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1jp3 s LEU 214 Cb -0.32 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1jp3 s LEU 214 CO 0.38 -0.01 -0.16 -0.47 0.23 0.00 0.00 176.35 176.32 1jp3 s TYR 215 N 1.43 2.87 -0.16 0.29 6.14 0.14 -4.97 117.35 123.09 1jp3 s TYR 215 Ca 0.05 -1.83 -0.03 0.00 0.64 0.00 0.00 57.07 55.90 1jp3 s TYR 215 Cb -0.14 -1.88 -0.02 0.00 0.42 0.00 0.00 41.96 40.33 1jp3 s TYR 215 CO -0.02 -0.82 -0.05 -0.06 0.64 0.00 0.00 175.55 175.24 1jp3 s PHE 216 N 1.25 3.00 0.02 4.97 0.08 -1.26 -1.07 117.98 124.97 1jp3 s PHE 216 Ca 0.00 -0.38 0.05 0.00 0.12 0.00 0.00 56.93 56.72 1jp3 s PHE 216 Cb -0.15 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1jp3 s PHE 216 CO -0.10 -0.10 -0.14 -0.08 -0.10 0.00 0.00 175.22 174.71 1jp3 s THR 217 N 0.46 1.08 -0.65 0.64 -1.32 -0.48 -4.97 115.64 110.40 1jp3 s THR 217 Ca -0.04 -0.82 0.25 0.00 -1.21 0.00 0.00 61.69 59.88 1jp3 s THR 217 Cb -0.14 -0.95 0.28 0.00 -1.51 0.00 0.00 72.50 70.18 1jp3 s THR 217 CO 0.03 0.12 1.76 0.47 -2.21 0.00 0.00 174.62 174.79 1jp3 n ASP 218 N 2.25 0.79 -4.65 8.08 8.00 -1.26 -2.13 116.55 127.63 1jp3 n ASP 218 Ca -0.16 0.60 -0.47 0.00 0.71 0.00 0.00 54.79 55.47 1jp3 n ASP 218 Cb 0.55 -0.81 -0.04 0.00 -0.02 0.00 0.00 41.12 40.80 1jp3 n ASP 218 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1jp3 n VAL 219 N -2.27 0.22 -2.62 2.53 0.31 -1.26 -4.03 118.33 111.20 1jp3 n VAL 219 Ca 0.05 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 1jp3 n VAL 219 Cb 0.38 -1.39 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 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 0.67 4.21 0.25 7.52 1.43 -1.26 -0.65 118.68 130.85 1jp3 s LEU 220 Ca 0.77 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.78 1jp3 s LEU 220 Cb -0.72 -4.12 0.46 0.00 0.03 0.00 0.00 46.19 41.84 1jp3 s LEU 220 CO 0.42 -0.34 1.63 -0.25 0.23 0.00 0.00 176.35 178.04 1jp3 h TRP 221 N 2.75 -0.06 -0.11 0.29 2.91 -1.49 0.13 115.95 120.37 1jp3 h TRP 221 Ca -0.48 0.06 0.03 0.00 1.13 0.00 0.00 58.89 59.63 1jp3 h TRP 221 Cb 1.21 0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 30.00 1jp3 h TRP 221 CO 0.59 -0.26 0.11 -1.35 -1.03 0.00 0.00 178.44 176.50 1jp3 h PRO 222 N 0.09 0.00 0.00 2.65 0.11 -1.85 -1.68 132.00 131.32 1jp3 h PRO 222 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1jp3 h PRO 222 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1jp3 h PRO 222 CO -0.69 0.00 -0.71 -0.25 -0.21 0.00 0.00 178.00 176.13 1jp3 n ASP 223 N -3.98 0.64 -4.61 -2.05 8.00 -0.00 -4.74 116.55 109.82 1jp3 n ASP 223 Ca -0.00 -0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.03 1jp3 n ASP 223 Cb 0.22 0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 41.64 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 -3.15 1.48 0.00 1.24 5.36 -0.63 -4.94 117.98 117.35 1jp3 s PHE 224 Ca 0.06 0.48 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 1jp3 s PHE 224 Cb 0.14 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 1jp3 s PHE 224 CO 0.74 -3.72 0.00 -0.40 -1.46 0.00 0.00 175.22 170.38 1jp3 n ASP 225 N 10.54 1.87 0.08 6.13 5.68 -1.26 -4.90 116.55 134.69 1jp3 n ASP 225 Ca 0.26 -0.63 0.04 0.00 -0.50 0.00 0.00 54.79 53.95 1jp3 n ASP 225 Cb 0.45 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.89 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 0.37 -0.39 0.11 3.07 -1.92 -0.11 114.58 115.71 1jp3 h GLU 226 Ca 0.00 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 1jp3 h GLU 226 Cb 0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 1jp3 h GLU 226 CO 0.00 0.30 -0.05 0.37 -1.40 0.00 0.00 179.01 178.23 1jp3 h GLN 227 N 0.38 0.73 -0.54 2.33 4.15 -1.97 -0.37 115.11 119.81 1jp3 h GLN 227 Ca 0.10 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.22 1jp3 h GLN 227 Cb 0.06 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1jp3 h GLN 227 CO -0.01 0.84 0.18 -0.44 -1.93 0.00 0.00 178.83 177.47 1jp3 h ASP 228 N 0.54 0.78 -0.53 -0.69 3.32 -1.77 -0.33 116.42 117.74 1jp3 h ASP 228 Ca 0.10 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1jp3 h ASP 228 Cb 0.55 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1jp3 h ASP 228 CO 0.03 0.77 0.11 0.15 -1.72 0.00 0.00 179.24 178.57 1jp3 h PHE 229 N 0.74 0.92 -0.43 4.55 3.04 -0.95 -2.20 116.94 122.61 1jp3 h PHE 229 Ca 0.18 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 1jp3 h PHE 229 Cb 0.26 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1jp3 h PHE 229 CO 0.01 0.81 0.04 1.49 -2.02 0.00 0.00 178.31 178.65 1jp3 h GLU 230 N 0.76 0.67 -0.91 1.11 4.81 -0.81 -1.27 114.58 118.95 1jp3 h GLU 230 Ca 0.16 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1jp3 h GLU 230 Cb 0.37 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1jp3 h GLU 230 CO 0.01 0.67 0.58 0.78 -0.73 0.00 0.00 179.01 180.31 1jp3 h GLY 231 N 0.91 1.30 0.98 1.92 0.00 -0.63 0.33 103.07 107.88 1jp3 h GLY 231 Ca 0.14 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1jp3 h GLY 231 CO 0.01 0.50 -0.09 0.00 0.00 0.00 0.00 176.54 176.95 1jp3 h ALA 232 N 1.39 0.55 -0.44 3.60 0.00 -0.73 -2.33 119.26 121.30 1jp3 h ALA 232 Ca 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jp3 h ALA 232 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jp3 h ALA 232 CO -0.07 0.41 0.17 -0.07 0.00 0.00 0.00 179.25 179.70 1jp3 h LEU 233 N 0.58 0.56 -0.97 0.00 3.38 -0.65 -2.06 115.31 116.15 1jp3 h LEU 233 Ca 0.10 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1jp3 h LEU 233 Cb 0.61 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1jp3 h LEU 233 CO 0.04 0.52 -0.13 0.78 0.09 0.00 0.00 178.44 179.74 1jp3 h ASN 234 N 0.62 0.59 -0.78 -0.43 2.35 -0.73 -0.49 115.58 116.71 1jp3 h ASN 234 Ca 0.15 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1jp3 h ASN 234 Cb 0.13 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 1jp3 h ASN 234 CO -0.01 0.74 0.37 0.00 -1.65 0.00 0.00 177.43 176.88 1jp3 h ALA 235 N 1.32 1.00 0.04 -0.83 0.00 -0.83 -0.59 119.26 119.36 1jp3 h ALA 235 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jp3 h ALA 235 Cb 0.54 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jp3 h ALA 235 CO 0.03 0.57 -0.02 0.35 0.00 0.00 0.00 179.25 180.18 1jp3 h PHE 236 N 1.10 -0.04 -0.82 0.00 3.57 -1.07 -3.01 116.94 116.66 1jp3 h PHE 236 Ca 0.27 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.93 1jp3 h PHE 236 Cb 0.12 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.82 1jp3 h PHE 236 CO 0.01 0.14 0.54 0.00 -2.23 0.00 0.00 178.31 176.78 1jp3 h ALA 237 N 0.73 2.07 0.00 2.41 0.00 -0.64 -3.51 119.26 120.32 1jp3 h ALA 237 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jp3 h ALA 237 Cb 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jp3 h ALA 237 CO 0.01 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.05