#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 3.23 0.74 3.04 0.00 -1.26 -5.11 121.76 122.40 2jpe s ALA 2 Ca 0.00 -1.93 -0.15 0.00 0.00 0.00 0.00 51.96 49.88 2jpe s ALA 2 Cb 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.74 2jpe s ALA 2 CO 0.00 0.07 1.21 0.00 0.00 0.00 0.00 175.76 177.05 2jpe s ALA 3 N -2.50 2.06 -0.30 0.00 0.00 -1.26 -5.02 121.76 114.74 2jpe s ALA 3 Ca 0.35 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 2jpe s ALA 3 Cb -0.01 -3.48 0.18 0.00 0.00 0.00 0.00 23.12 19.82 2jpe s ALA 3 CO 0.20 -1.97 0.88 0.00 0.00 0.00 0.00 175.76 174.87 2jpe s ALA 4 N -1.99 -3.08 -0.86 0.00 0.00 -1.26 -5.07 121.76 109.51 2jpe s ALA 4 Ca 0.75 1.53 0.01 0.00 0.00 0.00 0.00 51.96 54.24 2jpe s ALA 4 Cb -0.30 -2.44 0.30 0.00 0.00 0.00 0.00 23.12 20.69 2jpe s ALA 4 CO 0.46 -1.51 1.30 0.28 0.00 0.00 0.00 175.76 176.30 2jpe n VAL 5 N 5.42 4.41 -3.79 0.00 0.31 -1.26 -4.96 118.33 118.47 2jpe n VAL 5 Ca -0.03 -5.72 -0.25 0.00 -0.01 0.00 0.00 64.34 58.33 2jpe n VAL 5 Cb 0.53 -1.80 -0.17 0.00 -0.91 0.00 0.00 33.84 31.49 2jpe n VAL 5 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2jpe s ASN 6 N -2.19 2.15 -0.13 4.52 3.84 -1.26 -5.13 114.94 116.75 2jpe s ASN 6 Ca 0.39 -0.37 -0.04 0.00 0.21 0.00 0.00 52.86 53.05 2jpe s ASN 6 Cb 0.16 -0.59 -0.03 0.00 -0.55 0.00 0.00 41.25 40.24 2jpe s ASN 6 CO -0.03 -0.21 -0.00 -0.94 -2.79 0.00 0.00 177.10 173.12 2jpe s SER 7 N 1.87 5.15 0.00 -4.21 1.04 -1.26 -4.98 113.70 111.30 2jpe s SER 7 Ca 0.03 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.49 2jpe s SER 7 Cb -0.14 -1.69 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2jpe s SER 7 CO -0.07 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2jpe n GLY 8 N 2.97 2.21 3.72 7.32 0.00 -1.26 -5.00 105.19 115.14 2jpe n GLY 8 Ca -0.18 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.93 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jpe n SER 9 N 0.00 3.55 -4.76 1.61 3.41 -1.26 -4.99 113.62 111.18 2jpe n SER 9 Ca 0.00 1.12 -0.33 0.00 -0.26 0.00 0.00 58.87 59.40 2jpe n SER 9 Cb 0.00 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.34 2jpe n SER 9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jpe s SER 10 N 0.60 4.13 0.61 4.04 1.04 -1.26 -5.13 113.70 117.73 2jpe s SER 10 Ca 0.68 -1.67 -0.15 0.00 0.48 0.00 0.00 55.95 55.29 2jpe s SER 10 Cb -0.55 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 2jpe s SER 10 CO 0.45 -0.88 1.05 -0.76 0.98 0.00 0.00 173.24 174.09 2jpe s LEU 11 N -3.88 3.43 0.00 2.42 2.01 -1.26 -5.06 118.68 116.34 2jpe s LEU 11 Ca 0.04 1.76 0.00 0.00 0.01 0.00 0.00 54.13 55.94 2jpe s LEU 11 Cb 0.01 -4.52 0.00 0.00 0.01 0.00 0.00 46.19 41.69 2jpe s LEU 11 CO 0.02 -1.18 0.00 -0.81 1.01 0.00 0.00 176.35 175.40 2jpe n PRO 12 N -2.22 0.69 -0.02 1.29 -0.04 -1.26 -5.02 135.00 128.42 2jpe n PRO 12 Ca 0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 2jpe n PRO 12 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 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 0.00 -3.62 1.53 -0.00 -1.26 -5.07 117.00 108.57 2jpe n LEU 13 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.99 2jpe n LEU 13 Cb 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 43.42 43.49 2jpe n LEU 13 CO 0.00 0.08 0.95 0.12 -0.00 0.00 0.00 177.39 178.55 2jpe s PHE 14 N -2.52 -0.11 -0.12 1.47 2.19 -1.26 -4.97 117.98 112.65 2jpe s PHE 14 Ca -0.04 -0.01 -0.02 0.00 0.33 0.00 0.00 56.93 57.19 2jpe s PHE 14 Cb 0.05 0.55 0.04 0.00 -1.31 0.00 0.00 43.02 42.35 2jpe s PHE 14 CO 0.40 -0.37 0.02 0.34 1.83 0.00 0.00 175.22 177.45 2jpe s ASP 15 N -2.69 2.06 0.37 6.13 2.15 -1.26 -5.13 116.67 118.30 2jpe s ASP 15 Ca 0.12 -0.36 -0.28 0.00 0.43 0.00 0.00 52.55 52.46 2jpe s ASP 15 Cb 0.02 -0.46 -0.10 0.00 -0.30 0.00 0.00 42.92 42.08 2jpe s ASP 15 CO -0.04 -0.25 1.34 0.00 -0.17 0.00 0.00 175.17 176.05 2jpe n PRO 17 N 0.47 0.74 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.91 2jpe n PRO 17 Ca 0.02 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2jpe n PRO 17 Cb 0.42 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.60 0.00 1.19 0.52 5.66 -1.26 -4.29 114.28 115.51 2jpe n THR 18 Ca 0.00 -0.40 0.13 0.00 -3.05 0.00 0.00 64.05 60.73 2jpe n THR 18 Cb 0.00 1.12 0.25 0.00 -1.55 0.00 0.00 70.33 70.15 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 -0.25 0.00 -2.52 1.09 4.27 -1.26 -4.90 117.44 113.87 2jpe n TRP 19 Ca 0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 2jpe n TRP 19 Cb 0.21 -0.03 -0.04 0.00 -1.36 0.00 0.00 31.31 30.08 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 -2.26 3.38 -0.07 -1.67 0.00 -1.26 0.11 121.76 119.99 2jpe s ALA 20 Ca 0.27 0.83 -0.06 0.00 0.00 0.00 0.00 51.96 53.00 2jpe s ALA 20 Cb 0.20 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2jpe s ALA 20 CO 0.44 -0.16 0.17 0.20 0.00 0.00 0.00 175.76 176.41 2jpe s GLY 21 N -0.45 -0.12 -0.34 0.00 0.00 -0.81 -4.74 107.32 100.87 2jpe s GLY 21 Ca 0.47 0.53 -0.41 0.00 0.00 0.00 0.00 44.72 45.31 2jpe s GLY 21 CO 0.37 0.52 1.79 1.17 0.00 0.00 0.00 173.10 176.95 2jpe n LYS 22 N 3.19 0.88 -1.95 2.90 3.00 -1.26 -4.70 118.16 120.22 2jpe n LYS 22 Ca -0.15 0.31 -0.32 0.00 -0.00 0.00 0.00 58.31 58.15 2jpe n LYS 22 Cb 0.58 -2.00 0.02 0.00 0.00 0.00 0.00 35.03 33.63 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 3.89 3.28 0.58 1.64 0.04 -1.26 -5.04 135.00 138.13 2jpe s PRO 23 Ca 1.02 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 63.02 2jpe s PRO 23 Cb -1.15 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 2jpe s PRO 23 CO 0.67 -0.84 1.05 -1.25 0.04 0.00 0.00 177.00 176.67 2jpe s PRO 24 N -4.34 3.40 -1.21 0.56 0.04 -1.26 -4.73 135.00 127.46 2jpe s PRO 24 Ca 0.62 1.18 -0.20 0.00 0.04 0.00 0.00 61.00 62.63 2jpe s PRO 24 Cb -0.15 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 2jpe s PRO 24 CO 0.41 -0.74 1.89 -0.35 0.04 0.00 0.00 177.00 178.26 2jpe n PRO 25 N -1.96 2.35 -0.90 0.56 -0.04 -1.26 -3.78 135.00 129.96 2jpe n PRO 25 Ca 0.08 -2.72 -0.01 0.00 -0.04 0.00 0.00 63.50 60.82 2jpe n PRO 25 Cb 0.53 -3.49 -0.00 0.00 -0.04 0.00 0.00 33.50 30.50 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 5.28 -0.37 3.33 0.55 0.00 -1.26 -5.05 105.19 107.66 2jpe n GLY 26 Ca 0.48 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.20 2.27 -0.27 0.99 1.43 -1.25 0.62 118.68 122.27 2jpe s LEU 27 Ca 0.00 -1.19 -0.28 0.00 -1.03 0.00 0.00 54.13 51.64 2jpe s LEU 27 Cb 0.02 -0.33 0.18 0.00 0.03 0.00 0.00 46.19 46.09 2jpe s LEU 27 CO -0.01 -0.46 1.32 -1.38 0.23 0.00 0.00 176.35 176.05 2jpe s HIS 28 N -3.35 -0.11 0.61 0.29 -3.43 -1.25 -3.93 115.29 104.11 2jpe s HIS 28 Ca 0.27 0.22 -0.02 0.00 -0.80 0.00 0.00 55.06 54.72 2jpe s HIS 28 Cb 0.05 0.48 0.13 0.00 -1.43 0.00 0.00 32.58 31.80 2jpe s HIS 28 CO 0.08 -0.08 0.84 1.28 -2.00 0.00 0.00 174.74 174.86 2jpe n LEU 29 N 0.93 0.00 -3.65 5.38 4.77 0.53 -2.38 117.00 122.57 2jpe n LEU 29 Ca -0.05 -1.58 -0.07 0.00 -0.03 0.00 0.00 56.01 54.28 2jpe n LEU 29 Cb 0.58 -0.57 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2jpe n LEU 29 CO 0.06 -0.95 0.60 -1.81 -1.33 0.00 0.00 177.39 173.97 2jpe s ASP 30 N -4.34 -0.31 0.01 -1.43 1.11 -1.23 -2.06 116.67 108.42 2jpe s ASP 30 Ca 0.54 -0.27 0.02 0.00 0.18 0.00 0.00 52.55 53.02 2jpe s ASP 30 Cb -0.03 0.53 -0.01 0.00 1.07 0.00 0.00 42.92 44.48 2jpe s ASP 30 CO 0.36 -0.93 -0.06 -0.69 1.18 0.00 0.00 175.17 175.03 2jpe s VAL 31 N -3.45 0.43 -0.02 -1.27 1.01 -0.61 -2.59 120.40 113.90 2jpe s VAL 31 Ca 0.08 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 2jpe s VAL 31 Cb -0.02 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.99 2jpe s VAL 31 CO -0.03 0.00 0.03 -0.69 0.00 0.00 0.00 175.10 174.42 2jpe s VAL 32 N -0.40 -0.06 -0.51 2.92 1.01 -1.25 0.15 120.40 122.26 2jpe s VAL 32 Ca -0.01 0.23 0.25 0.00 0.00 0.00 0.00 61.98 62.44 2jpe s VAL 32 Cb -0.04 -0.09 0.26 0.00 0.00 0.00 0.00 36.38 36.52 2jpe s VAL 32 CO -0.00 0.09 1.74 2.29 0.00 0.00 0.00 175.10 179.22 2jpe n LYS 33 N 4.22 0.22 0.00 2.72 2.85 -0.77 0.19 118.16 127.60 2jpe n LYS 33 Ca -0.27 0.39 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 2jpe n LYS 33 Cb 0.50 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 33.00 2jpe n LYS 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jpe n GLY 34 N 0.29 0.12 0.48 2.58 0.00 -1.26 -4.70 105.19 102.70 2jpe n GLY 34 Ca 0.03 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.28 2jpe n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpe n ASP 35 N 0.00 0.40 -3.74 1.61 -0.08 -1.26 -4.99 116.55 108.49 2jpe n ASP 35 Ca 0.00 -2.17 -0.13 0.00 -1.51 0.00 0.00 54.79 50.98 2jpe n ASP 35 Cb 0.00 -0.24 -0.14 0.00 2.34 0.00 0.00 41.12 43.08 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2jpe s LYS 36 N -0.44 0.13 -0.12 -0.67 2.20 -1.26 -5.12 119.74 114.47 2jpe s LYS 36 Ca 0.06 0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.81 2jpe s LYS 36 Cb 0.06 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 2jpe s LYS 36 CO -0.00 -0.17 1.55 -1.17 -0.36 0.00 0.00 175.35 175.20 2jpe s LEU 37 N 1.25 4.20 0.00 5.43 1.98 -1.26 -1.84 118.68 128.44 2jpe s LEU 37 Ca -0.09 1.98 0.00 0.00 -2.89 0.00 0.00 54.13 53.13 2jpe s LEU 37 Cb -0.11 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.20 2jpe s LEU 37 CO -0.07 -0.95 0.01 -0.38 -1.89 0.00 0.00 176.35 173.07 2jpe n ILE 38 N 5.64 0.00 -4.25 6.68 2.08 0.12 -4.94 119.36 124.70 2jpe n ILE 38 Ca 0.17 0.29 -0.13 0.00 0.56 0.00 0.00 62.75 63.63 2jpe n ILE 38 Cb 0.44 -0.85 -0.04 0.00 -0.75 0.00 0.00 39.64 38.44 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 -1.34 0.62 -4.05 0.38 0.28 -1.23 -4.99 120.64 110.31 2jpe n GLU 39 Ca 0.00 -1.88 -0.12 0.00 -0.16 0.00 0.00 57.16 54.99 2jpe n GLU 39 Cb 0.00 1.14 -0.12 0.00 1.43 0.00 0.00 31.44 33.90 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 -2.83 0.44 0.20 3.44 2.20 -1.26 -1.57 119.74 120.36 2jpe s LYS 40 Ca 0.14 -0.63 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 2jpe s LYS 40 Cb 0.01 -0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.08 2jpe s LYS 40 CO 0.10 0.03 0.07 -0.51 -0.36 0.00 0.00 175.35 174.68 2jpe s LEU 41 N -1.33 1.72 0.11 5.43 1.43 -0.88 -4.92 118.68 120.25 2jpe s LEU 41 Ca -0.10 -1.29 0.07 0.00 -1.03 0.00 0.00 54.13 51.79 2jpe s LEU 41 Cb -0.09 0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.21 2jpe s LEU 41 CO -0.00 -0.70 -0.08 -0.63 0.23 0.00 0.00 176.35 175.17 2jpe s ILE 42 N -3.86 3.47 0.00 -0.59 1.09 -1.26 0.20 121.20 120.25 2jpe s ILE 42 Ca 0.31 -1.24 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 2jpe s ILE 42 Cb 0.07 -2.63 0.00 0.00 -1.06 0.00 0.00 42.46 38.84 2jpe s ILE 42 CO 0.08 0.10 0.75 2.30 -0.10 0.00 0.00 174.94 178.07 2jpe n ILE 43 N 0.64 0.00 -1.72 2.92 -6.64 -1.26 -4.56 119.36 108.74 2jpe n ILE 43 Ca -0.13 0.00 -0.32 0.00 -1.77 0.00 0.00 62.75 60.53 2jpe n ILE 43 Cb 0.52 0.48 0.05 0.00 -1.44 0.00 0.00 39.64 39.26 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 6.63 0.00 7.28 5.75 -1.25 -4.43 116.55 130.53 2jpe n ASP 44 Ca 0.00 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.00 2jpe n ASP 44 Cb 0.61 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jpe n GLU 45 N -0.76 0.00 -2.73 0.11 1.02 -1.26 -4.60 120.64 112.43 2jpe n GLU 45 Ca 0.54 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.56 2jpe n GLU 45 Cb 0.68 -0.45 -0.01 0.00 -0.02 0.00 0.00 31.44 31.64 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 -2.56 1.29 0.00 3.49 -0.00 -1.26 -4.85 118.16 114.27 2jpe n LYS 46 Ca 0.00 -1.47 0.02 0.00 -0.00 0.00 0.00 58.31 56.86 2jpe n LYS 46 Cb 0.29 0.26 0.00 0.00 -0.00 0.00 0.00 35.03 35.58 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 -0.82 1.64 -3.61 -1.58 0.00 -1.26 -3.99 118.16 108.54 2jpe n LYS 47 Ca -0.04 -0.50 -0.03 0.00 -0.00 0.00 0.00 58.31 57.74 2jpe n LYS 47 Cb 0.26 -0.95 -0.05 0.00 -0.00 0.00 0.00 35.03 34.29 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 -0.69 -1.03 0.00 5.58 -0.85 -1.26 -0.02 117.35 119.08 2jpe s TYR 48 Ca 0.04 1.91 0.00 0.00 -0.52 0.00 0.00 57.07 58.49 2jpe s TYR 48 Cb 0.03 0.62 0.00 0.00 0.38 0.00 0.00 41.96 42.99 2jpe s TYR 48 CO 0.09 -0.51 0.00 0.66 -1.52 0.00 0.00 175.55 174.26 2jpe n TYR 49 N 4.73 -0.13 -4.54 -3.49 4.01 0.01 -4.94 117.16 112.81 2jpe n TYR 49 Ca -0.15 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.33 2jpe n TYR 49 Cb 0.54 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 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 2.05 -0.30 7.72 1.02 -1.26 -1.70 118.68 126.21 2jpe s LEU 50 Ca 0.00 -1.64 -0.06 0.00 0.02 0.00 0.00 54.13 52.45 2jpe s LEU 50 Cb 0.00 -0.20 0.19 0.00 0.02 0.00 0.00 46.19 46.19 2jpe s LEU 50 CO 0.00 -0.89 0.81 -0.36 0.02 0.00 0.00 176.35 175.93 2jpe s PHE 51 N -3.18 -1.11 0.00 0.29 0.08 0.31 -4.19 117.98 110.18 2jpe s PHE 51 Ca 0.23 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.36 2jpe s PHE 51 Cb 0.03 0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.83 2jpe s PHE 51 CO 0.13 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 175.05 2jpe n GLY 52 N 5.42 -0.30 0.61 4.36 0.00 -1.24 0.80 105.19 114.84 2jpe n GLY 52 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.59 1.61 1.74 -0.96 0.30 116.66 116.77 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 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 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 -1.57 6.68 0.48 0.55 3.04 -1.23 -4.76 114.94 118.13 2jpe s ASN 54 Ca 0.00 0.64 0.27 0.00 0.04 0.00 0.00 52.86 53.81 2jpe s ASN 54 Cb 0.00 -2.55 0.82 0.00 -1.54 0.00 0.00 41.25 37.98 2jpe s ASN 54 CO 0.00 -1.18 1.78 1.55 -3.04 0.00 0.00 177.10 176.21 2jpe h PRO 55 N 9.08 0.00 0.00 0.43 0.13 -1.78 0.75 132.00 140.61 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 0.05 0.02 0.22 -0.23 0.00 0.00 178.00 179.15 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.58 -1.94 -3.13 116.42 116.36 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpe h ASP 56 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2jpe h ASP 56 CO 0.01 0.00 -0.86 0.18 -2.88 0.00 0.00 179.24 175.68 2jpe n LEU 57 N -2.55 0.94 -4.96 2.28 4.77 -1.09 -5.07 117.00 111.32 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 0.06 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2jpe n LEU 57 CO 0.13 0.11 0.29 0.00 -1.33 0.00 0.00 177.39 176.60 2jpe n ASP 59 N -2.13 1.06 -1.96 0.00 -0.08 -1.26 -4.09 116.55 108.09 2jpe n ASP 59 Ca 0.03 0.22 0.00 0.00 -1.51 0.00 0.00 54.79 53.53 2jpe n ASP 59 Cb 0.58 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.01 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 -3.09 -2.18 -3.51 -0.67 3.01 -1.26 -4.96 117.46 104.79 2jpe n PHE 60 Ca -0.27 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.13 2jpe n PHE 60 Cb 1.07 0.00 -0.07 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 0.51 -0.75 0.35 4.37 -4.23 -1.26 -4.45 115.64 110.18 2jpe s THR 61 Ca 0.00 0.06 0.21 0.00 -1.18 0.00 0.00 61.69 60.78 2jpe s THR 61 Cb 0.00 -0.81 0.21 0.00 1.34 0.00 0.00 72.50 73.24 2jpe s THR 61 CO 0.00 0.00 1.94 0.40 -0.54 0.00 0.00 174.62 176.42 2jpe h ILE 62 N 6.12 0.84 -5.15 2.99 2.04 -0.47 -3.47 117.51 120.41 2jpe h ILE 62 Ca -0.18 -0.91 -0.23 0.00 1.00 0.00 0.00 64.86 64.54 2jpe h ILE 62 Cb 1.12 1.54 0.17 0.00 -0.74 0.00 0.00 36.82 38.92 2jpe h ILE 62 CO 0.17 0.23 -0.74 -0.67 0.00 0.00 0.00 178.15 177.14 2jpe n ASP 63 N -3.79 -5.28 -3.70 1.72 2.03 -1.24 -5.00 116.55 101.29 2jpe n ASP 63 Ca -0.02 -0.61 -0.12 0.00 0.52 0.00 0.00 54.79 54.57 2jpe n ASP 63 Cb 0.33 -4.61 -0.10 0.00 -0.72 0.00 0.00 41.12 36.03 2jpe n ASP 63 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2jpe s HIS 64 N -3.34 -0.57 0.25 -0.67 2.46 -1.26 -5.03 115.29 107.13 2jpe s HIS 64 Ca 0.32 1.32 0.07 0.00 0.47 0.00 0.00 55.06 57.24 2jpe s HIS 64 Cb -0.04 0.23 0.30 0.00 -0.13 0.00 0.00 32.58 32.93 2jpe s HIS 64 CO 0.65 -0.29 1.58 -0.56 -2.47 0.00 0.00 174.74 173.65 2jpe h GLN 65 N 5.97 0.15 0.23 2.88 3.07 -1.97 -3.20 115.11 122.25 2jpe h GLN 65 Ca -0.30 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.33 2jpe h GLN 65 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2jpe h GLN 65 CO 0.23 0.71 -0.11 0.77 0.09 0.00 0.00 178.83 180.52 2jpe h SER 66 N 0.11 -0.26 -1.15 0.06 0.02 -2.00 -3.43 113.55 106.89 2jpe h SER 66 Ca -0.01 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.85 2jpe h SER 66 Cb 1.10 0.07 0.04 0.00 0.14 0.00 0.00 62.40 63.74 2jpe h SER 66 CO 0.09 -0.14 -0.03 0.00 -1.14 0.00 0.00 176.83 175.60 2jpe s SER 68 N -1.95 0.91 0.26 0.00 0.15 -1.26 -4.99 113.70 106.81 2jpe s SER 68 Ca 0.12 -1.39 -0.09 0.00 0.70 0.00 0.00 55.95 55.29 2jpe s SER 68 Cb -0.02 0.22 0.40 0.00 -1.71 0.00 0.00 66.02 64.91 2jpe s SER 68 CO 0.10 -0.76 1.58 0.03 1.20 0.00 0.00 173.24 175.38 2jpe h ARG 69 N 2.45 0.00 -2.18 5.44 -0.00 -1.93 -2.10 114.38 116.05 2jpe h ARG 69 Ca -0.38 -0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.52 2jpe h ARG 69 Cb 1.25 -0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.80 2jpe h ARG 69 CO 0.59 0.00 -0.72 0.28 0.00 0.00 0.00 179.97 180.11 2jpe n VAL 70 N -5.57 2.01 -0.25 2.04 0.31 -1.26 -2.26 118.33 113.34 2jpe n VAL 70 Ca 0.14 -5.14 0.06 0.00 -0.01 0.00 0.00 64.34 59.38 2jpe n VAL 70 Cb 0.45 -1.69 0.19 0.00 -0.91 0.00 0.00 33.84 31.88 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 3.65 0.30 -2.69 3.52 2.76 -0.11 -3.42 115.15 119.15 2jpe h HIS 71 Ca 0.15 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.44 2jpe h HIS 71 Cb 0.66 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2jpe h HIS 71 CO 0.69 -0.08 0.43 0.00 -1.30 0.00 0.00 177.93 177.68 2jpe n ALA 72 N -2.65 -2.18 -3.15 5.26 0.00 0.24 -2.96 120.51 115.07 2jpe n ALA 72 Ca 0.14 -1.07 -0.12 0.00 0.00 0.00 0.00 53.44 52.39 2jpe n ALA 72 Cb 0.47 0.72 -0.11 0.00 0.00 0.00 0.00 19.45 20.53 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 -2.00 -0.59 0.27 0.00 0.00 -0.76 0.11 121.76 118.80 2jpe s ALA 73 Ca 0.19 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2jpe s ALA 73 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2jpe s ALA 73 CO 0.08 -0.17 0.46 -1.17 0.00 0.00 0.00 175.76 174.96 2jpe s LEU 74 N -0.52 4.14 -0.18 0.00 0.20 -0.69 -0.19 118.68 121.45 2jpe s LEU 74 Ca -0.06 0.40 -0.08 0.00 0.69 0.00 0.00 54.13 55.08 2jpe s LEU 74 Cb -0.04 -3.21 0.07 0.00 -0.43 0.00 0.00 46.19 42.58 2jpe s LEU 74 CO 0.01 -0.16 0.39 -0.69 -0.29 0.00 0.00 176.35 175.61 2jpe s VAL 75 N -2.09 -0.35 -0.51 1.68 1.01 0.98 -0.81 120.40 120.31 2jpe s VAL 75 Ca 0.39 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2jpe s VAL 75 Cb -0.10 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.71 2jpe s VAL 75 CO 0.32 0.06 0.78 -0.47 0.00 0.00 0.00 175.10 175.79 2jpe s TYR 76 N 2.05 2.94 0.73 5.22 5.04 0.97 0.14 117.35 134.43 2jpe s TYR 76 Ca -0.05 -0.14 -0.16 0.00 -2.44 0.00 0.00 57.07 54.28 2jpe s TYR 76 Cb -0.10 -3.75 0.01 0.00 0.35 0.00 0.00 41.96 38.46 2jpe s TYR 76 CO -0.12 -1.13 0.95 1.58 -1.34 0.00 0.00 175.55 175.49 2jpe n HIS 77 N 6.80 0.61 -0.05 4.97 -0.00 0.47 -1.92 115.22 126.11 2jpe n HIS 77 Ca -0.01 0.39 -0.08 0.00 0.46 0.00 0.00 57.72 58.48 2jpe n HIS 77 Cb 0.47 -2.07 -0.04 0.00 -0.12 0.00 0.00 29.99 28.23 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 -1.86 0.23 0.09 1.57 2.85 0.30 -2.93 118.16 118.40 2jpe n LYS 78 Ca 0.13 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.57 2jpe n LYS 78 Cb 0.49 -1.07 0.45 0.00 -0.65 0.00 0.00 35.03 34.25 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 -3.03 0.60 -0.02 5.58 8.25 -1.25 -2.92 115.22 122.43 2jpe n HIS 79 Ca -0.18 0.22 -0.01 0.00 -0.26 0.00 0.00 57.72 57.49 2jpe n HIS 79 Cb 0.67 -0.85 -0.04 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.03 0.00 -2.04 2.41 4.77 -1.26 -5.02 117.00 113.83 2jpe n LEU 80 Ca 0.03 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 2jpe n LEU 80 Cb 0.26 0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2jpe n LEU 80 CO 0.21 0.09 0.05 0.29 -1.33 0.00 0.00 177.39 176.70 2jpe n LYS 81 N -2.04 -3.54 -1.66 3.23 4.01 -1.15 -5.01 118.16 112.00 2jpe n LYS 81 Ca -0.06 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.27 2jpe n LYS 81 Cb 0.51 -4.60 0.00 0.00 -0.51 0.00 0.00 35.03 30.42 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 -2.86 1.20 -4.35 1.97 1.74 -1.18 -4.92 116.66 108.25 2jpe n ARG 82 Ca -0.04 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.80 2jpe n ARG 82 Cb 0.56 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.92 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 -1.23 2.96 0.01 1.55 1.01 -1.24 0.18 120.40 123.64 2jpe s VAL 83 Ca 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 61.98 59.83 2jpe s VAL 83 Cb 0.00 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.69 2jpe s VAL 83 CO 0.00 -0.33 0.19 -0.36 0.00 0.00 0.00 175.10 174.60 2jpe s PHE 84 N -2.43 0.01 -0.26 5.22 0.40 0.38 0.24 117.98 121.55 2jpe s PHE 84 Ca 0.32 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2jpe s PHE 84 Cb -0.04 -0.02 0.06 0.00 0.51 0.00 0.00 43.02 43.53 2jpe s PHE 84 CO 0.19 -0.36 -0.08 -1.17 0.70 0.00 0.00 175.22 174.50 2jpe s LEU 85 N -1.66 3.22 -0.47 -0.37 2.96 -0.66 -0.02 118.68 121.69 2jpe s LEU 85 Ca -0.11 -1.38 -0.20 0.00 -0.22 0.00 0.00 54.13 52.23 2jpe s LEU 85 Cb -0.05 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.27 2jpe s LEU 85 CO -0.00 -0.22 0.61 -0.63 -1.32 0.00 0.00 176.35 174.78 2jpe s ILE 86 N 1.20 4.88 -0.69 6.68 1.01 0.73 -2.90 121.20 132.12 2jpe s ILE 86 Ca -0.06 -0.21 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 2jpe s ILE 86 Cb -0.19 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.04 2jpe s ILE 86 CO -0.06 -0.66 1.75 -0.62 0.00 0.00 0.00 174.94 175.34 2jpe s ASP 87 N 2.26 5.47 -1.18 3.58 2.15 -1.25 -1.83 116.67 125.88 2jpe s ASP 87 Ca 0.18 -0.02 -0.22 0.00 0.43 0.00 0.00 52.55 52.92 2jpe s ASP 87 Cb -0.17 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 2jpe s ASP 87 CO 0.15 -2.29 1.87 -0.76 -0.17 0.00 0.00 175.17 173.97 2jpe s LEU 88 N 8.42 3.27 -0.98 -1.34 1.43 -1.15 -1.07 118.68 127.26 2jpe s LEU 88 Ca 0.61 -1.75 -0.06 0.00 -1.03 0.00 0.00 54.13 51.90 2jpe s LEU 88 Cb -0.10 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.54 2jpe s LEU 88 CO 0.15 -2.52 0.11 -0.46 0.23 0.00 0.00 176.35 173.86 2jpe n ASN 89 N 12.68 -0.19 -4.69 2.29 0.23 -1.24 -4.67 115.26 119.66 2jpe n ASN 89 Ca 0.45 -0.86 -0.44 0.00 -0.53 0.00 0.00 54.58 53.20 2jpe n ASN 89 Cb 0.47 -1.06 -0.02 0.00 -2.08 0.00 0.00 39.78 37.09 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jpe n SER 90 N -1.65 2.87 -0.30 0.53 2.88 -1.25 -4.82 113.62 111.88 2jpe n SER 90 Ca -0.18 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.59 2jpe n SER 90 Cb 0.44 -1.46 0.16 0.00 -0.75 0.00 0.00 64.21 62.60 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 1.45 -0.36 0.00 2.46 5.66 -1.26 -3.59 114.28 118.64 2jpe n THR 91 Ca 0.09 1.92 0.00 0.00 -3.05 0.00 0.00 64.05 63.01 2jpe n THR 91 Cb 0.33 -2.70 0.00 0.00 -1.55 0.00 0.00 70.33 66.41 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 -5.33 0.00 0.00 1.09 8.25 -1.26 -5.14 115.22 112.82 2jpe n HIS 92 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2jpe n HIS 92 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 2.12 2.10 3.51 -1.41 0.00 -1.24 -4.99 105.19 105.29 2jpe n GLY 93 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 3.02 0.22 2.61 2.01 -1.26 0.19 115.64 120.43 2jpe s THR 94 Ca 0.00 -1.35 0.01 0.00 0.31 0.00 0.00 61.69 60.66 2jpe s THR 94 Cb 0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 2jpe s THR 94 CO 0.00 0.16 0.05 -0.36 -0.69 0.00 0.00 174.62 173.78 2jpe s PHE 95 N -1.12 1.37 -0.53 4.92 0.40 -0.36 -0.01 117.98 122.65 2jpe s PHE 95 Ca 0.18 -1.12 0.05 0.00 -0.60 0.00 0.00 56.93 55.45 2jpe s PHE 95 Cb -0.11 -0.79 0.37 0.00 0.51 0.00 0.00 43.02 43.01 2jpe s PHE 95 CO 0.10 -0.29 1.03 -0.11 0.70 0.00 0.00 175.22 176.65 2jpe n LEU 96 N -0.35 4.64 0.00 -0.37 7.94 0.14 -1.58 117.00 127.42 2jpe n LEU 96 Ca -0.03 -5.48 0.00 0.00 -1.11 0.00 0.00 56.01 49.39 2jpe n LEU 96 Cb 0.65 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2jpe n LEU 96 CO 0.35 2.30 0.00 0.61 -1.11 0.00 0.00 177.39 179.55 2jpe n GLY 97 N -0.35 2.12 0.18 -3.96 0.00 0.37 -3.93 105.19 99.62 2jpe n GLY 97 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.50 1.61 1.44 -1.26 -4.85 115.22 107.66 2jpe n HIS 98 Ca 0.00 -0.04 -0.29 0.00 -2.01 0.00 0.00 57.72 55.38 2jpe n HIS 98 Cb 0.00 -0.02 -0.13 0.00 0.12 0.00 0.00 29.99 29.95 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 -0.10 2.17 -0.07 0.61 1.01 -1.25 -5.13 121.20 118.43 2jpe s ILE 99 Ca 0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 60.65 58.97 2jpe s ILE 99 Cb 0.01 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 2jpe s ILE 99 CO 0.00 0.14 0.10 0.00 0.00 0.00 0.00 174.94 175.18 2jpe s ARG 100 N -1.85 3.27 0.09 2.79 1.04 -1.26 0.27 118.95 123.30 2jpe s ARG 100 Ca 0.13 -0.29 0.06 0.00 -1.04 0.00 0.00 55.73 54.59 2jpe s ARG 100 Cb -0.10 -3.02 -0.04 0.00 -2.04 0.00 0.00 34.95 29.75 2jpe s ARG 100 CO 0.05 0.72 -0.06 -0.51 -0.04 0.00 0.00 175.30 175.46 2jpe s LEU 101 N -1.26 3.20 0.43 -1.89 1.43 0.99 -4.91 118.68 116.67 2jpe s LEU 101 Ca 0.18 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.78 2jpe s LEU 101 Cb -0.12 -1.97 -0.11 0.00 0.03 0.00 0.00 46.19 44.03 2jpe s LEU 101 CO 0.08 0.18 0.94 -1.61 0.23 0.00 0.00 176.35 176.17 2jpe s GLU 102 N -2.20 4.19 -1.16 1.70 0.41 -1.25 -4.34 118.70 116.04 2jpe s GLU 102 Ca 0.23 1.08 -0.07 0.00 -0.41 0.00 0.00 54.97 55.80 2jpe s GLU 102 Cb -0.11 -2.19 -0.07 0.00 -1.78 0.00 0.00 34.13 29.98 2jpe s GLU 102 CO 0.15 -0.05 2.49 -0.35 -0.49 0.00 0.00 175.26 177.02 2jpe n PRO 103 N -0.73 2.72 0.00 0.39 -0.04 -1.26 -3.08 135.00 133.00 2jpe n PRO 103 Ca 0.07 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.80 2jpe n PRO 103 Cb 0.54 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.87 0.00 -2.39 0.54 8.25 -0.23 -3.73 115.22 121.53 2jpe n HIS 104 Ca 0.58 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.62 2jpe n HIS 104 Cb 0.20 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 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 4.36 0.69 -0.41 1.02 -1.18 -4.72 119.74 119.50 2jpe s LYS 105 Ca 0.00 1.78 -0.11 0.00 0.02 0.00 0.00 55.97 57.66 2jpe s LYS 105 Cb 0.00 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2jpe s LYS 105 CO 0.00 -0.41 1.06 -1.25 -0.92 0.00 0.00 175.35 173.83 2jpe s PRO 106 N 1.85 2.98 -0.14 -1.68 0.04 -1.26 -3.91 135.00 132.87 2jpe s PRO 106 Ca 0.59 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 2jpe s PRO 106 Cb -0.28 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.32 2jpe s PRO 106 CO 0.26 -1.07 0.10 -1.14 0.04 0.00 0.00 177.00 175.19 2jpe s GLN 107 N -4.95 0.04 1.01 4.56 2.00 -1.14 -4.92 119.66 116.25 2jpe s GLN 107 Ca 0.58 0.08 -0.22 0.00 -2.00 0.00 0.00 55.36 53.81 2jpe s GLN 107 Cb -0.14 -1.41 -0.12 0.00 0.80 0.00 0.00 33.01 32.14 2jpe s GLN 107 CO 0.53 -0.58 -0.92 0.00 -0.50 0.00 0.00 175.29 173.82 2jpe n GLN 108 N 5.29 -0.25 -3.63 1.67 10.64 -1.26 -1.65 117.38 128.19 2jpe n GLN 108 Ca -0.06 -0.07 -0.25 0.00 -1.83 0.00 0.00 57.00 54.79 2jpe n GLN 108 Cb 0.49 -1.18 -0.17 0.00 -0.86 0.00 0.00 30.24 28.53 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 -2.07 -0.05 0.72 -0.39 -1.09 0.66 -4.67 121.20 114.32 2jpe s ILE 109 Ca 0.42 -0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.63 2jpe s ILE 109 Cb -0.05 -0.54 0.02 0.00 -1.58 0.00 0.00 42.46 40.31 2jpe s ILE 109 CO 0.72 -0.21 1.07 -2.16 -1.23 0.00 0.00 174.94 173.13 2jpe s PRO 110 N 2.12 2.77 0.60 2.79 0.04 -1.26 -3.69 135.00 138.37 2jpe s PRO 110 Ca 0.02 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 61.77 2jpe s PRO 110 Cb -0.15 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2jpe s PRO 110 CO -0.08 -1.20 1.15 0.42 0.04 0.00 0.00 177.00 177.33 2jpe s ILE 111 N -3.07 2.96 -1.40 0.56 -1.09 -1.26 -2.23 121.20 115.66 2jpe s ILE 111 Ca 0.59 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 2jpe s ILE 111 Cb -0.14 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.57 2jpe s ILE 111 CO 0.55 -0.17 0.00 -0.67 -1.23 0.00 0.00 174.94 173.42 2jpe n ASP 112 N -1.73 -3.64 -2.19 3.58 2.03 0.32 -4.91 116.55 110.01 2jpe n ASP 112 Ca 0.12 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2jpe n ASP 112 Cb 0.51 -3.35 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jpe n SER 113 N -0.69 -0.38 -3.68 1.67 2.88 -0.95 -4.86 113.62 107.61 2jpe n SER 113 Ca -0.14 -0.81 -0.09 0.00 -1.33 0.00 0.00 58.87 56.50 2jpe n SER 113 Cb 0.47 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.83 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 -1.00 -0.21 0.07 2.46 2.01 -1.25 -3.62 115.64 114.09 2jpe s THR 114 Ca 0.00 0.10 0.07 0.00 0.31 0.00 0.00 61.69 62.17 2jpe s THR 114 Cb 0.00 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2jpe s THR 114 CO 0.00 0.04 -0.19 0.68 -0.69 0.00 0.00 174.62 174.46 2jpe s VAL 115 N 1.79 1.53 -0.18 3.82 -7.23 0.31 0.14 120.40 120.58 2jpe s VAL 115 Ca -0.08 -1.29 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 2jpe s VAL 115 Cb -0.09 -1.37 0.06 0.00 0.56 0.00 0.00 36.38 35.54 2jpe s VAL 115 CO -0.14 0.04 0.05 -0.94 -0.31 0.00 0.00 175.10 173.80 2jpe s SER 116 N -1.47 2.67 1.16 4.85 1.04 -0.62 -0.63 113.70 120.71 2jpe s SER 116 Ca 0.05 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.66 2jpe s SER 116 Cb -0.09 -0.50 0.15 0.00 0.10 0.00 0.00 66.02 65.68 2jpe s SER 116 CO 0.03 -0.31 0.47 0.49 0.98 0.00 0.00 173.24 174.90 2jpe n PHE 117 N 5.11 -3.20 0.00 5.02 3.01 -1.20 -1.23 117.46 124.98 2jpe n PHE 117 Ca -0.08 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 57.95 2jpe n PHE 117 Cb 0.48 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2jpe n PHE 117 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jpe n GLY 118 N -1.54 -3.09 0.01 1.37 0.00 0.52 -4.47 105.19 97.99 2jpe n GLY 118 Ca 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 2jpe n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpe h ALA 119 N -2.00 -0.31 0.00 4.61 0.00 -1.93 -3.43 119.26 116.20 2jpe h ALA 119 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 2jpe h ALA 119 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 2jpe h ALA 119 CO 0.00 -0.31 1.43 0.45 0.00 0.00 0.00 179.25 180.82 2jpe n SER 120 N -2.20 -0.19 0.00 0.00 2.88 -1.26 -4.64 113.62 108.21 2jpe n SER 120 Ca -0.00 -0.03 0.06 0.00 -1.33 0.00 0.00 58.87 57.56 2jpe n SER 120 Cb 0.01 -0.62 0.28 0.00 -0.75 0.00 0.00 64.21 63.13 2jpe n SER 120 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jpe n THR 121 N 5.33 0.94 -0.84 2.46 5.66 -1.26 -3.21 114.28 123.35 2jpe n THR 121 Ca 0.52 0.23 -0.35 0.00 -3.05 0.00 0.00 64.05 61.40 2jpe n THR 121 Cb 0.05 -1.03 0.09 0.00 -1.55 0.00 0.00 70.33 67.89 2jpe n THR 121 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2jpe n ARG 122 N -1.40 -0.75 -3.12 1.09 5.12 -1.26 -4.78 116.66 111.56 2jpe n ARG 122 Ca 0.04 -0.21 -0.22 0.00 -1.93 0.00 0.00 57.85 55.53 2jpe n ARG 122 Cb 0.12 -1.30 -0.04 0.00 -1.16 0.00 0.00 32.46 30.08 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 -3.91 3.02 -1.18 7.54 0.00 0.50 -4.30 120.51 122.17 2jpe n ALA 123 Ca -0.01 -3.90 -0.52 0.00 0.00 0.00 0.00 53.44 49.01 2jpe n ALA 123 Cb 0.68 -0.85 -0.09 0.00 0.00 0.00 0.00 19.45 19.18 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 0.25 1.13 -3.46 0.00 4.01 0.20 -3.97 117.16 115.33 2jpe n TYR 124 Ca 0.27 0.74 -0.43 0.00 -0.16 0.00 0.00 57.90 58.32 2jpe n TYR 124 Cb 0.55 -1.89 -0.06 0.00 -0.31 0.00 0.00 39.34 37.63 2jpe n TYR 124 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jpe s THR 125 N 4.19 4.84 -0.31 -0.72 2.01 -1.07 -0.53 115.64 124.04 2jpe s THR 125 Ca 0.96 -2.23 -0.28 0.00 0.31 0.00 0.00 61.69 60.45 2jpe s THR 125 Cb -1.25 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 67.15 2jpe s THR 125 CO 0.59 -0.91 1.97 -0.22 -0.69 0.00 0.00 174.62 175.36 2jpe s LEU 126 N 0.66 3.47 0.00 4.42 1.98 -1.24 -3.49 118.68 124.48 2jpe s LEU 126 Ca 0.12 1.44 0.03 0.00 -2.89 0.00 0.00 54.13 52.82 2jpe s LEU 126 Cb -0.19 -3.42 0.03 0.00 0.66 0.00 0.00 46.19 43.27 2jpe s LEU 126 CO -0.04 -1.88 0.22 -1.14 -1.89 0.00 0.00 176.35 171.62 2jpe n ARG 127 N 8.60 0.89 -3.18 1.98 3.00 -1.00 0.12 116.66 127.07 2jpe n ARG 127 Ca 0.26 -0.86 0.02 0.00 -0.00 0.00 0.00 57.85 57.26 2jpe n ARG 127 Cb 0.47 -0.07 -0.02 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 0.53 -0.89 -0.14 2.12 -1.26 -3.96 118.70 112.38 2jpe s GLU 128 Ca 0.17 0.75 -0.25 0.00 0.36 0.00 0.00 54.97 56.00 2jpe s GLU 128 Cb -0.01 0.29 -0.21 0.00 0.26 0.00 0.00 34.13 34.46 2jpe s GLU 128 CO 0.11 -0.79 2.33 1.63 -0.54 0.00 0.00 175.26 177.99 2jpe n LYS 129 N 5.41 0.00 0.00 4.30 5.02 0.20 -4.85 118.16 128.25 2jpe n LYS 129 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2jpe n LYS 129 Cb 0.52 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 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 7.19 0.67 -1.61 1.97 -0.04 -1.26 -4.78 135.00 137.14 2jpe n PRO 130 Ca 0.59 0.00 -0.54 0.00 -0.04 0.00 0.00 63.50 63.51 2jpe n PRO 130 Cb 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.44 2jpe n PRO 130 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jpe n GLN 131 N -0.28 1.08 0.00 0.54 7.27 -1.26 -5.14 117.38 119.59 2jpe n GLN 131 Ca 0.00 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.46 2jpe n GLN 131 Cb 0.00 -2.03 0.00 0.00 2.41 0.00 0.00 30.24 30.62 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76