#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpe s ALA 2 N 0.00 -2.02 -0.06 3.04 0.00 -1.26 -5.16 121.76 116.30 2jpe s ALA 2 Ca 0.00 1.89 0.05 0.00 0.00 0.00 0.00 51.96 53.90 2jpe s ALA 2 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2jpe s ALA 2 CO 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 175.76 175.30 2jpe s ALA 3 N 0.32 1.96 -0.51 0.00 0.00 -1.26 -5.07 121.76 117.21 2jpe s ALA 3 Ca 0.02 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2jpe s ALA 3 Cb -0.05 -0.64 0.21 0.00 0.00 0.00 0.00 23.12 22.65 2jpe s ALA 3 CO -0.08 0.36 0.52 0.00 0.00 0.00 0.00 175.76 176.55 2jpe n ALA 4 N 3.09 3.09 -2.58 0.00 0.00 -1.26 -5.07 120.51 117.78 2jpe n ALA 4 Ca -0.18 -3.83 -0.42 0.00 0.00 0.00 0.00 53.44 49.01 2jpe n ALA 4 Cb 0.52 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 2jpe n ALA 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jpe s VAL 5 N -1.19 4.82 -0.03 0.00 -7.23 -1.26 -5.02 120.40 110.50 2jpe s VAL 5 Ca 0.34 0.80 0.00 0.00 -1.81 0.00 0.00 61.98 61.31 2jpe s VAL 5 Cb 0.09 -4.13 0.03 0.00 0.56 0.00 0.00 36.38 32.93 2jpe s VAL 5 CO -0.12 -0.33 0.02 0.20 -0.31 0.00 0.00 175.10 174.55 2jpe s ASN 6 N 1.77 0.34 0.18 4.85 0.02 -1.26 -5.15 114.94 115.70 2jpe s ASN 6 Ca 0.28 0.01 -0.16 0.00 -1.02 0.00 0.00 52.86 51.96 2jpe s ASN 6 Cb -0.14 -0.16 0.03 0.00 0.02 0.00 0.00 41.25 41.00 2jpe s ASN 6 CO 0.15 -0.12 0.47 -0.55 0.02 0.00 0.00 177.10 177.07 2jpe s SER 7 N 1.13 -0.22 0.17 -1.22 0.15 -1.26 -5.14 113.70 107.31 2jpe s SER 7 Ca -0.08 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2jpe s SER 7 Cb -0.13 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2jpe s SER 7 CO -0.02 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.03 2jpe n GLY 8 N -0.31 -3.04 0.00 9.45 0.00 -1.26 -4.92 105.19 105.11 2jpe n GLY 8 Ca -0.11 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jpe n SER 9 N -2.14 0.00 -3.28 1.61 2.88 -1.26 -5.01 113.62 106.42 2jpe n SER 9 Ca -0.01 0.34 0.03 0.00 -1.33 0.00 0.00 58.87 57.91 2jpe n SER 9 Cb 0.16 -0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 2jpe n SER 9 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jpe s SER 10 N -2.40 -0.57 0.18 -3.46 0.01 -1.26 -5.18 113.70 101.02 2jpe s SER 10 Ca 0.00 0.58 0.07 0.00 1.31 0.00 0.00 55.95 57.91 2jpe s SER 10 Cb 0.00 1.57 -0.04 0.00 0.21 0.00 0.00 66.02 67.75 2jpe s SER 10 CO 0.00 -0.11 -0.15 -0.76 0.41 0.00 0.00 173.24 172.63 2jpe s LEU 11 N 2.64 2.51 0.00 2.44 2.01 -1.26 -5.16 118.68 121.86 2jpe s LEU 11 Ca 0.00 -0.96 0.00 0.00 0.01 0.00 0.00 54.13 53.18 2jpe s LEU 11 Cb -0.08 -0.67 0.00 0.00 0.01 0.00 0.00 46.19 45.45 2jpe s LEU 11 CO -0.15 -0.15 0.00 -0.81 1.01 0.00 0.00 176.35 176.25 2jpe n PRO 12 N -0.09 0.61 -0.03 1.29 -0.04 -1.26 -5.04 135.00 130.44 2jpe n PRO 12 Ca -0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.32 2jpe n PRO 12 Cb 0.59 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.02 2jpe n PRO 12 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2jpe n LEU 13 N 0.00 1.29 -3.56 1.53 -0.00 -1.26 -5.09 117.00 109.91 2jpe n LEU 13 Ca 0.00 -0.02 -0.07 0.00 -0.00 0.00 0.00 56.01 55.93 2jpe n LEU 13 Cb 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.36 2jpe n LEU 13 CO 0.00 0.34 0.86 0.12 -0.00 0.00 0.00 177.39 178.71 2jpe s PHE 14 N -2.13 -0.25 -0.17 1.47 2.19 -1.26 -4.98 117.98 112.86 2jpe s PHE 14 Ca -0.05 0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.45 2jpe s PHE 14 Cb 0.02 0.51 0.02 0.00 -1.31 0.00 0.00 43.02 42.26 2jpe s PHE 14 CO 0.18 -0.33 -0.17 0.34 1.83 0.00 0.00 175.22 177.07 2jpe s ASP 15 N -1.97 3.00 0.37 6.13 2.15 -1.26 -5.11 116.67 119.97 2jpe s ASP 15 Ca 0.06 -0.61 -0.27 0.00 0.43 0.00 0.00 52.55 52.15 2jpe s ASP 15 Cb -0.01 -1.35 -0.09 0.00 -0.30 0.00 0.00 42.92 41.17 2jpe s ASP 15 CO -0.05 -0.03 1.21 0.00 -0.17 0.00 0.00 175.17 176.12 2jpe n PRO 17 N 0.42 0.74 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.86 2jpe n PRO 17 Ca 0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 2jpe n PRO 17 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.92 2jpe n PRO 17 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2jpe n THR 18 N -0.59 0.00 1.15 0.52 5.66 -1.26 -4.34 114.28 115.42 2jpe n THR 18 Ca 0.00 -0.45 0.12 0.00 -3.05 0.00 0.00 64.05 60.68 2jpe n THR 18 Cb 0.00 1.11 0.21 0.00 -1.55 0.00 0.00 70.33 70.11 2jpe n THR 18 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2jpe n TRP 19 N -0.08 0.00 -2.48 1.09 4.27 -1.26 -4.91 117.44 114.07 2jpe n TRP 19 Ca 0.04 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.24 2jpe n TRP 19 Cb 0.17 -0.03 -0.04 0.00 -1.36 0.00 0.00 31.31 30.05 2jpe n TRP 19 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jpe s ALA 20 N -2.28 3.40 -0.06 -1.67 0.00 -1.26 0.43 121.76 120.32 2jpe s ALA 20 Ca 0.26 0.88 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 2jpe s ALA 20 Cb 0.19 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2jpe s ALA 20 CO 0.45 -0.18 0.19 0.20 0.00 0.00 0.00 175.76 176.43 2jpe s GLY 21 N -0.69 -0.11 -0.27 0.00 0.00 -0.84 -4.75 107.32 100.65 2jpe s GLY 21 Ca 0.46 0.43 -0.39 0.00 0.00 0.00 0.00 44.72 45.22 2jpe s GLY 21 CO 0.40 0.34 1.86 1.17 0.00 0.00 0.00 173.10 176.86 2jpe n LYS 22 N 2.65 1.25 -1.91 2.90 3.00 -1.26 -4.65 118.16 120.14 2jpe n LYS 22 Ca -0.15 0.44 -0.32 0.00 -0.00 0.00 0.00 58.31 58.28 2jpe n LYS 22 Cb 0.58 -2.22 0.02 0.00 0.00 0.00 0.00 35.03 33.41 2jpe n LYS 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jpe s PRO 23 N 4.19 3.24 0.57 1.64 0.04 -1.26 -5.03 135.00 138.38 2jpe s PRO 23 Ca 1.00 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 2jpe s PRO 23 Cb -1.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 31.47 2jpe s PRO 23 CO 0.61 -0.87 1.05 -1.25 0.04 0.00 0.00 177.00 176.58 2jpe s PRO 24 N -4.42 3.47 -1.18 0.56 0.04 -1.26 -4.73 135.00 127.48 2jpe s PRO 24 Ca 0.61 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.66 2jpe s PRO 24 Cb -0.15 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2jpe s PRO 24 CO 0.43 -0.69 1.94 -0.35 0.04 0.00 0.00 177.00 178.37 2jpe n PRO 25 N -1.80 2.29 -0.89 0.56 -0.04 -1.26 -3.75 135.00 130.11 2jpe n PRO 25 Ca 0.09 -2.58 -0.02 0.00 -0.04 0.00 0.00 63.50 60.95 2jpe n PRO 25 Cb 0.53 -3.38 -0.01 0.00 -0.04 0.00 0.00 33.50 30.60 2jpe n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jpe n GLY 26 N 5.02 -0.16 3.36 0.55 0.00 -1.26 -5.04 105.19 107.66 2jpe n GLY 26 Ca 0.49 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 2jpe n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpe s LEU 27 N -0.25 2.25 -0.28 0.99 1.43 -1.25 0.11 118.68 121.68 2jpe s LEU 27 Ca 0.01 -1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 51.61 2jpe s LEU 27 Cb 0.03 -0.35 0.18 0.00 0.03 0.00 0.00 46.19 46.07 2jpe s LEU 27 CO -0.01 -0.48 1.33 -1.38 0.23 0.00 0.00 176.35 176.04 2jpe s HIS 28 N -3.33 -0.11 0.67 0.29 -3.43 -1.25 -3.97 115.29 104.16 2jpe s HIS 28 Ca 0.29 0.23 -0.03 0.00 -0.80 0.00 0.00 55.06 54.75 2jpe s HIS 28 Cb 0.05 0.48 0.07 0.00 -1.43 0.00 0.00 32.58 31.76 2jpe s HIS 28 CO 0.10 -0.08 0.94 -1.17 -2.00 0.00 0.00 174.74 172.53 2jpe s LEU 29 N -0.51 3.01 0.23 5.38 1.98 0.54 -2.45 118.68 126.85 2jpe s LEU 29 Ca 0.07 0.08 -0.18 0.00 -2.89 0.00 0.00 54.13 51.21 2jpe s LEU 29 Cb -0.03 -2.71 0.02 0.00 0.66 0.00 0.00 46.19 44.13 2jpe s LEU 29 CO -0.10 -1.56 0.58 -1.81 -1.89 0.00 0.00 176.35 171.57 2jpe s ASP 30 N -4.56 -0.24 -0.01 3.68 1.01 -1.23 -0.95 116.67 114.37 2jpe s ASP 30 Ca 0.61 -0.59 -0.02 0.00 0.71 0.00 0.00 52.55 53.25 2jpe s ASP 30 Cb -0.09 0.63 0.00 0.00 1.01 0.00 0.00 42.92 44.47 2jpe s ASP 30 CO 0.43 -1.16 0.06 -0.69 0.21 0.00 0.00 175.17 174.01 2jpe s VAL 31 N -3.91 0.03 -0.04 -1.27 1.01 -0.83 -2.81 120.40 112.58 2jpe s VAL 31 Ca 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 2jpe s VAL 31 Cb -0.03 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.20 2jpe s VAL 31 CO 0.02 -0.16 0.08 -0.69 0.00 0.00 0.00 175.10 174.36 2jpe s VAL 32 N -0.47 -0.04 -0.10 2.92 1.01 -1.25 0.20 120.40 122.66 2jpe s VAL 32 Ca -0.05 0.15 0.30 0.00 0.00 0.00 0.00 61.98 62.38 2jpe s VAL 32 Cb -0.03 -0.15 0.35 0.00 0.00 0.00 0.00 36.38 36.55 2jpe s VAL 32 CO 0.00 0.06 1.88 0.07 0.00 0.00 0.00 175.10 177.12 2jpe h LYS 33 N 6.95 0.00 0.00 2.72 5.09 -1.82 1.46 116.57 130.98 2jpe h LYS 33 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.35 2jpe h LYS 33 Cb 1.15 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.48 2jpe h LYS 33 CO 0.45 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.22 2jpe n GLY 34 N 0.18 -0.88 0.35 0.07 0.00 -1.26 -4.64 105.19 99.01 2jpe n GLY 34 Ca 0.01 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.46 2jpe n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpe n ASP 35 N 0.00 0.30 -3.71 1.61 9.92 -1.26 -4.96 116.55 118.46 2jpe n ASP 35 Ca 0.00 -1.93 -0.20 0.00 -0.53 0.00 0.00 54.79 52.13 2jpe n ASP 35 Cb 0.00 -0.18 -0.18 0.00 -0.64 0.00 0.00 41.12 40.12 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2jpe s LYS 36 N -0.33 0.12 -0.02 -1.24 2.20 -1.26 -5.11 119.74 114.11 2jpe s LYS 36 Ca 0.03 0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 2jpe s LYS 36 Cb 0.03 -0.62 -0.07 0.00 -1.51 0.00 0.00 37.83 35.66 2jpe s LYS 36 CO 0.00 -0.31 1.88 -1.17 -0.36 0.00 0.00 175.35 175.40 2jpe s LEU 37 N 2.02 4.32 0.00 5.43 1.98 -1.26 -2.35 118.68 128.81 2jpe s LEU 37 Ca 0.04 2.46 0.00 0.00 -2.89 0.00 0.00 54.13 53.74 2jpe s LEU 37 Cb -0.12 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.20 2jpe s LEU 37 CO -0.04 -1.09 0.04 -0.38 -1.89 0.00 0.00 176.35 173.00 2jpe n ILE 38 N 5.72 0.00 -4.26 6.68 2.08 0.13 -4.95 119.36 124.76 2jpe n ILE 38 Ca 0.20 0.33 -0.14 0.00 0.56 0.00 0.00 62.75 63.69 2jpe n ILE 38 Cb 0.42 -0.90 -0.04 0.00 -0.75 0.00 0.00 39.64 38.37 2jpe n ILE 38 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2jpe n GLU 39 N -1.32 0.59 -3.97 0.38 0.28 -1.23 -5.00 120.64 110.37 2jpe n GLU 39 Ca 0.00 -2.02 -0.10 0.00 -0.16 0.00 0.00 57.16 54.87 2jpe n GLU 39 Cb 0.00 1.25 -0.12 0.00 1.43 0.00 0.00 31.44 34.00 2jpe n GLU 39 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2jpe s LYS 40 N -2.89 0.26 0.21 3.44 2.20 -1.26 -1.97 119.74 119.73 2jpe s LYS 40 Ca 0.15 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 2jpe s LYS 40 Cb 0.01 0.04 -0.05 0.00 -1.51 0.00 0.00 37.83 36.32 2jpe s LYS 40 CO 0.11 -0.03 0.08 -0.51 -0.36 0.00 0.00 175.35 174.65 2jpe s LEU 41 N -1.08 1.61 0.09 5.43 1.43 -0.12 -4.94 118.68 121.09 2jpe s LEU 41 Ca -0.11 -1.32 0.05 0.00 -1.03 0.00 0.00 54.13 51.71 2jpe s LEU 41 Cb -0.07 0.14 -0.04 0.00 0.03 0.00 0.00 46.19 46.25 2jpe s LEU 41 CO -0.01 -0.73 -0.02 -0.63 0.23 0.00 0.00 176.35 175.19 2jpe s ILE 42 N -3.89 3.90 0.00 -0.59 1.09 -1.26 0.20 121.20 120.66 2jpe s ILE 42 Ca 0.34 -1.02 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2jpe s ILE 42 Cb 0.07 -2.85 0.00 0.00 -1.06 0.00 0.00 42.46 38.62 2jpe s ILE 42 CO 0.10 0.13 0.72 2.30 -0.10 0.00 0.00 174.94 178.09 2jpe n ILE 43 N 0.62 0.00 -1.93 2.92 -6.64 -1.26 -4.53 119.36 108.55 2jpe n ILE 43 Ca -0.11 0.00 -0.34 0.00 -1.77 0.00 0.00 62.75 60.53 2jpe n ILE 43 Cb 0.52 0.57 0.04 0.00 -1.44 0.00 0.00 39.64 39.33 2jpe n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 2jpe n ASP 44 N 0.00 6.59 0.00 7.28 3.85 -1.25 -4.42 116.55 128.59 2jpe n ASP 44 Ca 0.00 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.29 2jpe n ASP 44 Cb 0.60 -0.82 0.00 0.00 -1.35 0.00 0.00 41.12 39.56 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2jpe n GLU 45 N -0.63 0.00 -2.52 0.11 1.02 -1.26 -4.62 120.64 112.73 2jpe n GLU 45 Ca 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.56 2jpe n GLU 45 Cb 0.52 -0.40 -0.01 0.00 -0.02 0.00 0.00 31.44 31.53 2jpe n GLU 45 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2jpe n LYS 46 N -2.42 1.40 0.00 3.49 -0.00 -1.26 -4.85 118.16 114.51 2jpe n LYS 46 Ca 0.00 -1.15 0.02 0.00 -0.00 0.00 0.00 58.31 57.18 2jpe n LYS 46 Cb 0.21 0.21 0.00 0.00 -0.00 0.00 0.00 35.03 35.45 2jpe n LYS 46 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2jpe n LYS 47 N -0.69 2.33 -3.62 -1.58 0.00 -1.26 -3.98 118.16 109.35 2jpe n LYS 47 Ca -0.03 -0.40 -0.03 0.00 -0.00 0.00 0.00 58.31 57.85 2jpe n LYS 47 Cb 0.20 -0.88 -0.05 0.00 -0.00 0.00 0.00 35.03 34.30 2jpe n LYS 47 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2jpe s TYR 48 N -0.72 -1.10 0.00 5.58 -0.85 -1.26 0.08 117.35 119.08 2jpe s TYR 48 Ca 0.03 2.05 0.00 0.00 -0.52 0.00 0.00 57.07 58.62 2jpe s TYR 48 Cb 0.03 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.03 2jpe s TYR 48 CO 0.08 -0.55 0.00 0.66 -1.52 0.00 0.00 175.55 174.22 2jpe n TYR 49 N 4.78 -0.00 -4.48 -3.49 4.01 0.11 -4.94 117.16 113.15 2jpe n TYR 49 Ca -0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 2jpe n TYR 49 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 2jpe n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jpe s LEU 50 N 0.00 2.02 -0.30 7.72 1.02 -1.26 -1.74 118.68 126.14 2jpe s LEU 50 Ca 0.00 -1.55 -0.04 0.00 0.02 0.00 0.00 54.13 52.57 2jpe s LEU 50 Cb 0.00 -0.19 0.19 0.00 0.02 0.00 0.00 46.19 46.20 2jpe s LEU 50 CO 0.00 -0.80 0.74 -0.36 0.02 0.00 0.00 176.35 175.95 2jpe s PHE 51 N -3.29 -1.30 0.00 0.29 0.08 0.25 -4.11 117.98 109.91 2jpe s PHE 51 Ca 0.29 1.22 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2jpe s PHE 51 Cb 0.05 0.40 0.00 0.00 -0.57 0.00 0.00 43.02 42.90 2jpe s PHE 51 CO 0.15 -0.72 0.00 0.41 -0.10 0.00 0.00 175.22 174.96 2jpe n GLY 52 N 5.42 -0.33 0.37 4.36 0.00 -1.24 0.52 105.19 114.30 2jpe n GLY 52 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2jpe n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpe n ARG 53 N 0.00 0.00 -2.64 1.61 1.74 -0.93 0.34 116.66 116.78 2jpe n ARG 53 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2jpe n ARG 53 Cb 0.00 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.41 2jpe n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jpe s ASN 54 N -1.22 6.67 0.48 0.55 3.04 -1.22 -4.76 114.94 118.47 2jpe s ASN 54 Ca 0.00 0.53 0.27 0.00 0.04 0.00 0.00 52.86 53.70 2jpe s ASN 54 Cb 0.00 -2.53 0.83 0.00 -1.54 0.00 0.00 41.25 38.00 2jpe s ASN 54 CO 0.00 -1.15 1.79 1.55 -3.04 0.00 0.00 177.10 176.24 2jpe h PRO 55 N 8.99 0.00 0.00 0.43 0.13 -1.78 0.51 132.00 140.29 2jpe h PRO 55 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2jpe h PRO 55 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jpe h PRO 55 CO 1.10 0.04 0.00 0.22 -0.23 0.00 0.00 178.00 179.13 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 1.82 -1.94 -3.14 116.42 114.59 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jpe h ASP 56 Cb 0.78 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.79 2jpe h ASP 56 CO 0.01 0.00 -0.84 0.18 -1.61 0.00 0.00 179.24 176.98 2jpe n LEU 57 N -2.40 0.73 -4.96 2.28 4.77 -1.09 -5.07 117.00 111.26 2jpe n LEU 57 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 2jpe n LEU 57 Cb 0.04 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2jpe n LEU 57 CO 0.11 0.06 0.29 0.00 -1.33 0.00 0.00 177.39 176.53 2jpe n ASP 59 N -2.12 1.06 -1.76 0.00 -0.08 -1.26 -4.09 116.55 108.29 2jpe n ASP 59 Ca 0.04 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 2jpe n ASP 59 Cb 0.58 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 43.98 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2jpe n PHE 60 N -3.10 -1.72 -3.65 -0.67 3.01 -1.26 -4.96 117.46 105.12 2jpe n PHE 60 Ca -0.25 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.17 2jpe n PHE 60 Cb 1.07 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.47 2jpe n PHE 60 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2jpe s THR 61 N 0.46 -0.85 0.26 4.37 -4.23 -1.26 -4.43 115.64 109.95 2jpe s THR 61 Ca 0.00 0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 2jpe s THR 61 Cb 0.00 -0.86 0.08 0.00 1.34 0.00 0.00 72.50 73.06 2jpe s THR 61 CO 0.00 0.03 1.72 0.40 -0.54 0.00 0.00 174.62 176.22 2jpe h ILE 62 N 6.07 1.26 -3.43 2.99 2.04 -0.44 -3.47 117.51 122.53 2jpe h ILE 62 Ca -0.17 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.43 2jpe h ILE 62 Cb 1.10 1.17 0.05 0.00 -0.74 0.00 0.00 36.82 38.40 2jpe h ILE 62 CO 0.11 0.39 -0.22 -0.67 0.00 0.00 0.00 178.15 177.76 2jpe n ASP 63 N -4.15 -2.82 -3.67 1.72 4.64 -1.24 -5.04 116.55 105.99 2jpe n ASP 63 Ca 0.01 -0.18 -0.12 0.00 -1.38 0.00 0.00 54.79 53.12 2jpe n ASP 63 Cb 0.38 -1.77 -0.08 0.00 -1.04 0.00 0.00 41.12 38.60 2jpe n ASP 63 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 2jpe s HIS 64 N -3.10 -0.73 0.16 -0.67 2.46 -1.26 -5.04 115.29 107.10 2jpe s HIS 64 Ca 0.08 1.64 -0.10 0.00 0.47 0.00 0.00 55.06 57.15 2jpe s HIS 64 Cb -0.01 0.32 -0.00 0.00 -0.13 0.00 0.00 32.58 32.76 2jpe s HIS 64 CO 0.20 -0.36 1.54 -0.56 -2.47 0.00 0.00 174.74 173.09 2jpe h GLN 65 N 5.93 0.99 -0.23 2.88 3.07 -1.97 -3.14 115.11 122.64 2jpe h GLN 65 Ca -0.30 -0.43 0.06 0.00 0.09 0.00 0.00 58.65 58.07 2jpe h GLN 65 Cb 1.18 -0.03 -0.07 0.00 0.08 0.00 0.00 27.48 28.65 2jpe h GLN 65 CO 0.17 1.11 -0.25 0.77 0.09 0.00 0.00 178.83 180.72 2jpe h SER 66 N 0.85 -0.78 -1.18 0.06 0.02 -2.01 -3.41 113.55 107.09 2jpe h SER 66 Ca 0.11 0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 2jpe h SER 66 Cb 0.81 0.37 0.04 0.00 0.14 0.00 0.00 62.40 63.76 2jpe h SER 66 CO 0.07 -0.28 -0.04 0.00 -1.14 0.00 0.00 176.83 175.44 2jpe s SER 68 N -1.94 1.12 0.31 0.00 0.15 -1.26 -4.99 113.70 107.09 2jpe s SER 68 Ca 0.13 -1.26 0.01 0.00 0.70 0.00 0.00 55.95 55.54 2jpe s SER 68 Cb -0.02 0.15 0.74 0.00 -1.71 0.00 0.00 66.02 65.18 2jpe s SER 68 CO 0.11 -0.65 1.57 0.03 1.20 0.00 0.00 173.24 175.51 2jpe h ARG 69 N 2.59 0.01 -2.16 5.44 -0.00 -1.93 -1.46 114.38 116.87 2jpe h ARG 69 Ca -0.37 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.54 2jpe h ARG 69 Cb 1.22 -0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.78 2jpe h ARG 69 CO 0.61 0.01 -0.81 0.28 0.00 0.00 0.00 179.97 180.06 2jpe n VAL 70 N -5.49 1.63 -0.27 2.04 0.31 -1.26 -2.19 118.33 113.10 2jpe n VAL 70 Ca 0.23 -5.04 0.04 0.00 -0.01 0.00 0.00 64.34 59.56 2jpe n VAL 70 Cb 0.75 -1.45 0.12 0.00 -0.91 0.00 0.00 33.84 32.35 2jpe n VAL 70 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2jpe h HIS 71 N 3.48 -0.28 -2.01 3.52 2.76 0.37 -3.43 115.15 119.56 2jpe h HIS 71 Ca 0.13 0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.70 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.91 2jpe h HIS 71 CO 0.66 -0.31 0.00 0.00 -1.30 0.00 0.00 177.93 176.97 2jpe n ALA 72 N -3.17 -0.01 -3.32 5.26 0.00 0.19 -3.08 120.51 116.37 2jpe n ALA 72 Ca 0.12 -0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 2jpe n ALA 72 Cb 0.44 0.01 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 2jpe n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe s ALA 73 N -1.13 -1.06 0.12 0.00 0.00 -0.63 -0.58 121.76 118.48 2jpe s ALA 73 Ca 0.00 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.02 2jpe s ALA 73 Cb -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 2jpe s ALA 73 CO 0.00 -0.22 0.36 -1.17 0.00 0.00 0.00 175.76 174.73 2jpe s LEU 74 N -0.04 4.29 -0.12 0.00 0.20 -0.71 -0.31 118.68 121.98 2jpe s LEU 74 Ca -0.02 0.57 -0.05 0.00 0.69 0.00 0.00 54.13 55.32 2jpe s LEU 74 Cb -0.03 -3.23 0.06 0.00 -0.43 0.00 0.00 46.19 42.56 2jpe s LEU 74 CO 0.01 0.08 0.25 -0.69 -0.29 0.00 0.00 176.35 175.72 2jpe s VAL 75 N -1.61 -0.33 -0.53 1.68 1.01 0.24 0.07 120.40 120.93 2jpe s VAL 75 Ca 0.39 0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 2jpe s VAL 75 Cb -0.12 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.88 2jpe s VAL 75 CO 0.24 0.11 0.88 -0.47 0.00 0.00 0.00 175.10 175.86 2jpe s TYR 76 N 2.19 2.86 0.70 5.22 5.04 0.11 0.10 117.35 133.57 2jpe s TYR 76 Ca -0.01 -0.05 -0.16 0.00 -2.44 0.00 0.00 57.07 54.41 2jpe s TYR 76 Cb -0.12 -3.94 0.01 0.00 0.35 0.00 0.00 41.96 38.26 2jpe s TYR 76 CO -0.08 -1.25 1.12 1.58 -1.34 0.00 0.00 175.55 175.58 2jpe n HIS 77 N 7.17 1.24 -0.05 4.97 -0.00 0.47 -1.98 115.22 127.04 2jpe n HIS 77 Ca 0.01 0.41 -0.09 0.00 0.46 0.00 0.00 57.72 58.51 2jpe n HIS 77 Cb 0.47 -2.16 -0.05 0.00 -0.12 0.00 0.00 29.99 28.14 2jpe n HIS 77 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2jpe n LYS 78 N -2.03 0.26 0.09 1.57 2.85 0.17 -2.91 118.16 118.14 2jpe n LYS 78 Ca 0.14 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.59 2jpe n LYS 78 Cb 0.49 -1.12 0.44 0.00 -0.65 0.00 0.00 35.03 34.19 2jpe n LYS 78 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jpe n HIS 79 N -3.01 0.58 -0.01 5.58 8.25 -1.26 -2.83 115.22 122.51 2jpe n HIS 79 Ca -0.20 0.21 -0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2jpe n HIS 79 Cb 0.69 -0.84 -0.04 0.00 1.12 0.00 0.00 29.99 30.91 2jpe n HIS 79 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jpe n LEU 80 N -2.01 0.00 -2.06 2.41 4.77 -1.26 -5.01 117.00 113.84 2jpe n LEU 80 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.87 2jpe n LEU 80 Cb 0.26 0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.44 2jpe n LEU 80 CO 0.21 0.07 0.01 0.29 -1.33 0.00 0.00 177.39 176.63 2jpe n LYS 81 N -1.96 -3.28 -1.70 3.23 4.01 -1.13 -5.00 118.16 112.34 2jpe n LYS 81 Ca -0.05 0.59 0.00 0.00 -0.51 0.00 0.00 58.31 58.34 2jpe n LYS 81 Cb 0.42 -4.78 0.00 0.00 -0.51 0.00 0.00 35.03 30.16 2jpe n LYS 81 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2jpe n ARG 82 N -2.90 1.14 -4.39 1.97 1.74 -1.17 -4.93 116.66 108.12 2jpe n ARG 82 Ca -0.07 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.77 2jpe n ARG 82 Cb 0.58 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.93 2jpe n ARG 82 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jpe s VAL 83 N -1.28 2.73 0.03 1.55 1.01 -1.24 0.18 120.40 123.38 2jpe s VAL 83 Ca 0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 61.98 59.80 2jpe s VAL 83 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 2jpe s VAL 83 CO 0.00 -0.30 0.12 -0.36 0.00 0.00 0.00 175.10 174.56 2jpe s PHE 84 N -2.48 0.15 -0.25 5.22 0.40 0.29 0.25 117.98 121.55 2jpe s PHE 84 Ca 0.32 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 2jpe s PHE 84 Cb -0.03 -0.11 0.07 0.00 0.51 0.00 0.00 43.02 43.46 2jpe s PHE 84 CO 0.18 -0.36 -0.02 -1.17 0.70 0.00 0.00 175.22 174.55 2jpe s LEU 85 N -1.98 2.68 -0.47 -0.37 2.96 -0.62 -0.59 118.68 120.29 2jpe s LEU 85 Ca -0.07 -1.32 -0.21 0.00 -0.22 0.00 0.00 54.13 52.31 2jpe s LEU 85 Cb -0.02 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.55 2jpe s LEU 85 CO -0.03 -0.28 0.69 -0.63 -1.32 0.00 0.00 176.35 174.77 2jpe s ILE 86 N 1.40 4.77 -0.84 6.68 1.01 0.58 -2.74 121.20 132.06 2jpe s ILE 86 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 2jpe s ILE 86 Cb -0.19 -4.28 -0.16 0.00 0.01 0.00 0.00 42.46 37.85 2jpe s ILE 86 CO -0.09 -0.72 1.90 0.47 0.00 0.00 0.00 174.94 176.50 2jpe n ASP 87 N 6.42 2.53 -4.42 3.58 10.43 -1.25 -1.61 116.55 132.23 2jpe n ASP 87 Ca -0.02 -2.66 -0.13 0.00 2.57 0.00 0.00 54.79 54.55 2jpe n ASP 87 Cb 0.47 -1.27 -0.11 0.00 1.84 0.00 0.00 41.12 42.05 2jpe n ASP 87 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2jpe n LEU 88 N 10.15 -0.09 -3.91 0.64 4.77 -1.18 -2.65 117.00 124.74 2jpe n LEU 88 Ca 0.48 -1.42 -0.25 0.00 -0.03 0.00 0.00 56.01 54.79 2jpe n LEU 88 Cb 0.43 -1.12 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 2jpe n LEU 88 CO 0.93 -2.30 -0.36 0.59 -1.33 0.00 0.00 177.39 174.93 2jpe n ASN 89 N 12.07 0.61 -4.64 -1.43 3.02 -1.23 -4.56 115.26 119.09 2jpe n ASN 89 Ca 0.41 -0.99 -0.47 0.00 -0.03 0.00 0.00 54.58 53.50 2jpe n ASN 89 Cb 0.37 -1.23 -0.04 0.00 -0.61 0.00 0.00 39.78 38.27 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jpe n SER 90 N -2.15 2.50 -0.26 6.41 2.88 -1.08 -4.78 113.62 117.13 2jpe n SER 90 Ca -0.23 1.12 0.20 0.00 -1.33 0.00 0.00 58.87 58.62 2jpe n SER 90 Cb 0.53 -1.36 0.37 0.00 -0.75 0.00 0.00 64.21 63.00 2jpe n SER 90 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jpe n THR 91 N 2.47 -0.33 -0.02 2.46 5.66 -1.26 -2.91 114.28 120.34 2jpe n THR 91 Ca 0.15 1.68 -0.06 0.00 -3.05 0.00 0.00 64.05 62.77 2jpe n THR 91 Cb 0.28 -2.60 -0.02 0.00 -1.55 0.00 0.00 70.33 66.43 2jpe n THR 91 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2jpe n HIS 92 N -4.94 0.00 0.00 1.09 8.25 -1.26 -5.13 115.22 113.23 2jpe n HIS 92 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2jpe n HIS 92 Cb 0.85 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.77 2jpe n HIS 92 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpe n GLY 93 N 2.70 1.54 3.44 -1.41 0.00 -1.15 -4.95 105.19 105.36 2jpe n GLY 93 Ca -0.10 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 2jpe n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jpe s THR 94 N -1.52 2.41 0.09 2.61 2.01 -1.26 0.20 115.64 120.17 2jpe s THR 94 Ca 0.00 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 59.87 2jpe s THR 94 Cb 0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2jpe s THR 94 CO 0.00 -0.19 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.35 2jpe s PHE 95 N -1.90 0.74 -0.57 4.92 0.40 -0.38 -0.27 117.98 120.92 2jpe s PHE 95 Ca 0.23 -1.03 0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2jpe s PHE 95 Cb -0.07 -0.47 0.37 0.00 0.51 0.00 0.00 43.02 43.36 2jpe s PHE 95 CO 0.11 -0.31 1.12 -0.11 0.70 0.00 0.00 175.22 176.74 2jpe n LEU 96 N 0.01 4.93 0.00 -0.37 7.94 0.97 -0.90 117.00 129.58 2jpe n LEU 96 Ca -0.12 -5.46 0.00 0.00 -1.11 0.00 0.00 56.01 49.32 2jpe n LEU 96 Cb 0.61 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.97 2jpe n LEU 96 CO 0.29 2.27 0.00 0.61 -1.11 0.00 0.00 177.39 179.45 2jpe n GLY 97 N -0.33 2.09 0.01 -3.96 0.00 0.42 -3.88 105.19 99.53 2jpe n GLY 97 Ca 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2jpe n GLY 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jpe n HIS 98 N 0.00 0.00 -4.45 1.61 1.44 -1.26 -4.90 115.22 107.66 2jpe n HIS 98 Ca 0.00 -0.13 -0.24 0.00 -2.01 0.00 0.00 57.72 55.34 2jpe n HIS 98 Cb 0.00 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.00 2jpe n HIS 98 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jpe s ILE 99 N -0.26 2.60 0.08 0.61 1.01 -1.25 -5.15 121.20 118.85 2jpe s ILE 99 Ca 0.00 -2.31 0.09 0.00 0.00 0.00 0.00 60.65 58.43 2jpe s ILE 99 Cb 0.00 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2jpe s ILE 99 CO 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 174.94 174.33 2jpe s ARG 100 N -3.55 1.44 0.23 2.79 1.04 -1.26 -0.02 118.95 119.62 2jpe s ARG 100 Ca 0.31 -1.13 0.09 0.00 -1.04 0.00 0.00 55.73 53.95 2jpe s ARG 100 Cb -0.04 -1.70 -0.04 0.00 -2.04 0.00 0.00 34.95 31.13 2jpe s ARG 100 CO 0.16 0.42 0.01 -0.51 -0.04 0.00 0.00 175.30 175.34 2jpe s LEU 101 N -1.57 3.28 0.47 -1.89 1.43 0.63 -4.92 118.68 116.11 2jpe s LEU 101 Ca 0.10 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 2jpe s LEU 101 Cb -0.10 -1.85 -0.07 0.00 0.03 0.00 0.00 46.19 44.20 2jpe s LEU 101 CO 0.03 0.03 0.90 -1.61 0.23 0.00 0.00 176.35 175.93 2jpe s GLU 102 N -3.42 3.88 -0.77 1.70 0.41 -1.25 -4.31 118.70 114.94 2jpe s GLU 102 Ca 0.30 0.76 -0.06 0.00 -0.41 0.00 0.00 54.97 55.55 2jpe s GLU 102 Cb -0.08 -2.24 -0.12 0.00 -1.78 0.00 0.00 34.13 29.92 2jpe s GLU 102 CO 0.20 -0.18 2.62 -0.35 -0.49 0.00 0.00 175.26 177.05 2jpe n PRO 103 N -1.48 2.31 0.00 0.39 -0.04 -1.25 -3.15 135.00 131.78 2jpe n PRO 103 Ca 0.05 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2jpe n PRO 103 Cb 0.54 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2jpe n PRO 103 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jpe n HIS 104 N 3.45 0.00 -2.35 0.54 8.25 -1.16 -3.57 115.22 120.37 2jpe n HIS 104 Ca 0.49 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.53 2jpe n HIS 104 Cb 0.36 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 2jpe n HIS 104 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2jpe s LYS 105 N 0.00 4.34 0.56 -0.41 1.02 -1.19 -4.75 119.74 119.32 2jpe s LYS 105 Ca 0.00 1.82 -0.17 0.00 0.02 0.00 0.00 55.97 57.64 2jpe s LYS 105 Cb 0.00 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 2jpe s LYS 105 CO 0.00 -0.45 1.05 -1.25 -0.92 0.00 0.00 175.35 173.78 2jpe s PRO 106 N 1.97 3.48 -0.19 -1.68 0.04 -1.26 -3.76 135.00 133.59 2jpe s PRO 106 Ca 0.60 1.20 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 2jpe s PRO 106 Cb -0.29 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.25 2jpe s PRO 106 CO 0.25 -0.68 -0.00 -1.14 0.04 0.00 0.00 177.00 175.47 2jpe s GLN 107 N -3.92 1.00 1.00 4.56 2.00 -1.11 -4.90 119.66 118.29 2jpe s GLN 107 Ca 0.64 -0.51 -0.20 0.00 -2.00 0.00 0.00 55.36 53.29 2jpe s GLN 107 Cb -0.15 -2.09 -0.13 0.00 0.80 0.00 0.00 33.01 31.43 2jpe s GLN 107 CO 0.33 -0.56 -0.88 0.00 -0.50 0.00 0.00 175.29 173.68 2jpe n GLN 108 N 4.95 -0.11 -3.65 1.67 10.64 -1.26 -1.58 117.38 128.04 2jpe n GLN 108 Ca -0.10 -0.03 -0.26 0.00 -1.83 0.00 0.00 57.00 54.78 2jpe n GLN 108 Cb 0.47 -1.11 -0.17 0.00 -0.86 0.00 0.00 30.24 28.57 2jpe n GLN 108 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2jpe s ILE 109 N -2.05 0.07 0.72 -0.39 -1.09 0.71 -4.67 121.20 114.50 2jpe s ILE 109 Ca 0.41 -0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.49 2jpe s ILE 109 Cb -0.09 -0.67 0.02 0.00 -1.58 0.00 0.00 42.46 40.14 2jpe s ILE 109 CO 0.76 -0.23 1.07 -2.16 -1.23 0.00 0.00 174.94 173.15 2jpe s PRO 110 N 2.07 2.72 0.58 2.79 0.04 -1.26 -3.64 135.00 138.30 2jpe s PRO 110 Ca 0.01 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 61.75 2jpe s PRO 110 Cb -0.16 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2jpe s PRO 110 CO -0.08 -1.23 1.14 0.42 0.04 0.00 0.00 177.00 177.29 2jpe s ILE 111 N -3.07 3.06 -1.50 0.56 -1.09 -1.26 -2.30 121.20 115.60 2jpe s ILE 111 Ca 0.59 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 2jpe s ILE 111 Cb -0.14 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.53 2jpe s ILE 111 CO 0.55 -0.18 0.00 -0.67 -1.23 0.00 0.00 174.94 173.41 2jpe n ASP 112 N -1.63 -3.81 -2.49 3.58 4.64 0.25 -4.91 116.55 112.18 2jpe n ASP 112 Ca 0.12 0.34 0.00 0.00 -1.38 0.00 0.00 54.79 53.87 2jpe n ASP 112 Cb 0.51 -3.50 0.00 0.00 -1.04 0.00 0.00 41.12 37.09 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2jpe n SER 113 N -0.71 -0.30 -3.65 1.67 2.88 -0.97 -4.86 113.62 107.67 2jpe n SER 113 Ca -0.14 -0.56 -0.05 0.00 -1.33 0.00 0.00 58.87 56.78 2jpe n SER 113 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 2jpe n SER 113 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jpe s THR 114 N -0.72 -0.56 0.17 2.46 2.01 -1.25 -3.73 115.64 114.02 2jpe s THR 114 Ca 0.00 0.05 0.10 0.00 0.31 0.00 0.00 61.69 62.15 2jpe s THR 114 Cb 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2jpe s THR 114 CO 0.00 0.02 -0.22 0.68 -0.69 0.00 0.00 174.62 174.41 2jpe s VAL 115 N 2.35 2.14 -0.13 3.82 -7.23 -0.78 0.16 120.40 120.73 2jpe s VAL 115 Ca -0.06 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2jpe s VAL 115 Cb -0.10 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.91 2jpe s VAL 115 CO -0.17 -0.15 0.08 -0.94 -0.31 0.00 0.00 175.10 173.61 2jpe s SER 116 N -2.55 1.91 0.92 4.85 1.04 -0.08 -0.95 113.70 118.85 2jpe s SER 116 Ca 0.17 -0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.12 2jpe s SER 116 Cb -0.08 -0.19 0.14 0.00 0.10 0.00 0.00 66.02 66.00 2jpe s SER 116 CO 0.08 -0.32 1.10 -0.36 0.98 0.00 0.00 173.24 174.72 2jpe s PHE 117 N 2.16 2.31 0.00 5.02 0.40 -1.03 -1.25 117.98 125.59 2jpe s PHE 117 Ca 0.03 1.12 0.00 0.00 -0.60 0.00 0.00 56.93 57.48 2jpe s PHE 117 Cb -0.15 -3.21 0.00 0.00 0.51 0.00 0.00 43.02 40.17 2jpe s PHE 117 CO -0.07 -2.50 0.40 0.41 0.70 0.00 0.00 175.22 174.16 2jpe n GLY 118 N -1.31 -2.93 0.00 4.36 0.00 0.53 -3.92 105.19 101.92 2jpe n GLY 118 Ca 0.06 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.71 2jpe n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpe n ALA 119 N -1.08 -0.10 -1.16 4.61 0.00 -1.26 -4.67 120.51 116.85 2jpe n ALA 119 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2jpe n ALA 119 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2jpe n ALA 119 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jpe n SER 120 N -1.20 0.31 0.00 0.00 7.64 -1.25 -4.67 113.62 114.44 2jpe n SER 120 Ca 0.00 0.23 0.12 0.00 1.01 0.00 0.00 58.87 60.23 2jpe n SER 120 Cb 0.00 -0.73 0.72 0.00 -1.01 0.00 0.00 64.21 63.18 2jpe n SER 120 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2jpe n THR 121 N 5.83 0.00 -0.71 0.44 -2.24 -1.26 -2.45 114.28 113.89 2jpe n THR 121 Ca 0.51 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 62.04 2jpe n THR 121 Cb 0.01 -0.54 0.11 0.00 -2.10 0.00 0.00 70.33 67.81 2jpe n THR 121 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jpe n ARG 122 N -0.95 -1.26 -3.10 -0.78 5.12 -1.26 -4.79 116.66 109.63 2jpe n ARG 122 Ca 0.18 -0.37 -0.22 0.00 -1.93 0.00 0.00 57.85 55.52 2jpe n ARG 122 Cb 0.08 -1.37 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 2jpe n ARG 122 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jpe n ALA 123 N -4.03 3.05 -1.38 7.54 0.00 0.50 -4.17 120.51 122.02 2jpe n ALA 123 Ca 0.02 -3.91 -0.36 0.00 0.00 0.00 0.00 53.44 49.18 2jpe n ALA 123 Cb 0.49 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 2jpe n ALA 123 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jpe n TYR 124 N 0.13 0.46 -2.97 0.00 4.02 -0.12 -3.94 117.16 114.74 2jpe n TYR 124 Ca 0.27 0.31 -0.44 0.00 -0.01 0.00 0.00 57.90 58.03 2jpe n TYR 124 Cb 0.55 -2.00 -0.03 0.00 -0.02 0.00 0.00 39.34 37.85 2jpe n TYR 124 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jpe s THR 125 N 7.35 4.75 -0.34 -0.72 2.01 -1.12 -1.87 115.64 125.70 2jpe s THR 125 Ca 1.25 -1.40 -0.28 0.00 0.31 0.00 0.00 61.69 61.57 2jpe s THR 125 Cb -1.12 -4.71 -0.03 0.00 0.01 0.00 0.00 72.50 66.66 2jpe s THR 125 CO 0.46 -1.42 1.91 -0.22 -0.69 0.00 0.00 174.62 174.66 2jpe s LEU 126 N 2.70 3.47 0.00 4.42 1.98 -1.24 -3.54 118.68 126.47 2jpe s LEU 126 Ca 0.28 1.33 0.02 0.00 -2.89 0.00 0.00 54.13 52.87 2jpe s LEU 126 Cb -0.09 -3.39 0.03 0.00 0.66 0.00 0.00 46.19 43.39 2jpe s LEU 126 CO -0.05 -1.86 0.21 0.54 -1.89 0.00 0.00 176.35 173.29 2jpe n ARG 127 N 8.58 0.82 -3.16 1.98 3.00 -1.03 0.88 116.66 127.73 2jpe n ARG 127 Ca 0.25 -0.75 0.04 0.00 -0.01 0.00 0.00 57.85 57.38 2jpe n ARG 127 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 32.46 32.84 2jpe n ARG 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jpe s GLU 128 N -2.72 0.54 -0.86 5.56 2.12 -1.26 -3.84 118.70 118.24 2jpe s GLU 128 Ca 0.15 0.97 -0.23 0.00 0.36 0.00 0.00 54.97 56.22 2jpe s GLU 128 Cb -0.01 0.54 -0.21 0.00 0.26 0.00 0.00 34.13 34.71 2jpe s GLU 128 CO 0.10 -0.58 2.25 1.63 -0.54 0.00 0.00 175.26 178.11 2jpe n LYS 129 N 5.43 0.00 0.00 4.30 5.02 0.30 -4.84 118.16 128.36 2jpe n LYS 129 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2jpe n LYS 129 Cb 0.51 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 2jpe n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2jpe n PRO 130 N 6.87 0.67 -1.48 1.97 -0.04 -1.26 -4.81 135.00 136.92 2jpe n PRO 130 Ca 0.57 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.63 2jpe n PRO 130 Cb 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.53 2jpe n PRO 130 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jpe n GLN 131 N -0.27 0.65 0.00 0.54 10.64 -1.26 -5.15 117.38 122.53 2jpe n GLN 131 Ca 0.00 0.24 0.00 0.00 -1.83 0.00 0.00 57.00 55.41 2jpe n GLN 131 Cb 0.00 -1.67 0.00 0.00 -0.86 0.00 0.00 30.24 27.71 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86