#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 -0.39 0.10 -5.12 0.00 -1.26 -5.18 121.76 109.92 2jpe s ALA 2 Ca 0.00 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 2jpe s ALA 2 Cb 0.00 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.85 2jpe s ALA 2 CO 0.00 -0.61 0.81 0.00 0.00 0.00 0.00 175.76 175.96 2jpe n ALA 3 N -0.17 -2.16 -3.16 0.00 0.00 -1.26 -5.15 120.51 108.61 2jpe n ALA 3 Ca -0.13 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.62 2jpe n ALA 3 Cb 0.63 0.36 -0.01 0.00 0.00 0.00 0.00 19.45 20.42 2jpe n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe s ALA 4 N -1.77 -2.19 1.20 0.00 0.00 -1.26 -5.16 121.76 112.59 2jpe s ALA 4 Ca 0.18 1.69 -0.16 0.00 0.00 0.00 0.00 51.96 53.67 2jpe s ALA 4 Cb -0.02 -2.18 0.23 0.00 0.00 0.00 0.00 23.12 21.16 2jpe s ALA 4 CO 0.03 -1.38 0.79 1.33 0.00 0.00 0.00 175.76 176.53 2jpe n VAL 5 N 5.42 0.00 -4.10 0.00 0.24 -1.26 -5.08 118.33 113.55 2jpe n VAL 5 Ca -0.01 -0.32 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 2jpe n VAL 5 Cb 0.51 -1.13 -0.10 0.00 -1.47 0.00 0.00 33.84 31.65 2jpe n VAL 5 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2jpe s ASN 6 N -3.61 0.79 0.47 -1.34 3.84 -1.26 -5.17 114.94 108.66 2jpe s ASN 6 Ca 0.52 -0.87 0.06 0.00 0.21 0.00 0.00 52.86 52.79 2jpe s ASN 6 Cb -0.06 0.12 -0.01 0.00 -0.55 0.00 0.00 41.25 40.75 2jpe s ASN 6 CO 0.41 -0.44 0.27 -0.44 -2.79 0.00 0.00 177.10 174.10 2jpe s SER 7 N -2.56 4.56 0.00 -4.21 0.01 -1.26 -5.02 113.70 105.21 2jpe s SER 7 Ca 0.03 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2jpe s SER 7 Cb 0.02 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2jpe s SER 7 CO -0.05 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.42 2jpe n GLY 8 N -1.47 1.07 3.44 3.44 0.00 -1.26 -5.11 105.19 105.30 2jpe n GLY 8 Ca -0.02 -0.30 -0.44 0.00 0.00 0.00 0.00 46.02 45.26 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jpe s SER 9 N 0.00 6.22 0.27 1.61 1.04 -1.26 -4.96 113.70 116.62 2jpe s SER 9 Ca 0.00 -1.00 -0.19 0.00 0.48 0.00 0.00 55.95 55.24 2jpe s SER 9 Cb 0.00 -2.34 0.07 0.00 0.10 0.00 0.00 66.02 63.85 2jpe s SER 9 CO 0.00 -1.12 0.95 -0.24 0.98 0.00 0.00 173.24 173.80 2jpe n SER 10 N 6.74 -1.99 -4.13 7.02 2.88 -1.26 -5.15 113.62 117.72 2jpe n SER 10 Ca -0.06 -2.20 -0.37 0.00 -1.33 0.00 0.00 58.87 54.91 2jpe n SER 10 Cb 0.45 3.27 0.03 0.00 -0.75 0.00 0.00 64.21 67.21 2jpe n SER 10 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpe n LEU 11 N 0.00 -4.63 0.00 2.46 7.99 -1.26 -4.96 117.00 116.60 2jpe n LEU 11 Ca -0.05 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.35 2jpe n LEU 11 Cb 0.59 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 43.08 2jpe n LEU 11 CO 0.24 -5.35 0.00 -0.81 -1.51 0.00 0.00 177.39 169.97 2jpe n PRO 12 N 1.86 0.71 -0.04 3.23 -0.04 -1.26 -5.03 135.00 134.43 2jpe n PRO 12 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.46 2jpe n PRO 12 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 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 -3.55 1.53 -0.00 -1.26 -5.07 117.00 108.65 2jpe n LEU 13 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 2jpe n LEU 13 Cb 0.00 0.20 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2jpe n LEU 13 CO 0.00 0.20 0.80 0.12 -0.00 0.00 0.00 177.39 178.51 2jpe s PHE 14 N -2.31 -0.29 -0.18 1.47 2.19 -1.26 -5.00 117.98 112.61 2jpe s PHE 14 Ca -0.05 0.30 0.00 0.00 0.33 0.00 0.00 56.93 57.52 2jpe s PHE 14 Cb 0.03 0.51 0.04 0.00 -1.31 0.00 0.00 43.02 42.29 2jpe s PHE 14 CO 0.40 -0.39 -0.09 0.34 1.83 0.00 0.00 175.22 177.30 2jpe s ASP 15 N -1.96 3.06 0.45 6.13 -1.08 -1.26 -5.11 116.67 116.90 2jpe s ASP 15 Ca 0.04 -0.74 -0.25 0.00 -0.52 0.00 0.00 52.55 51.09 2jpe s ASP 15 Cb -0.01 -1.11 -0.08 0.00 -1.46 0.00 0.00 42.92 40.27 2jpe s ASP 15 CO -0.05 -0.14 1.39 0.00 0.52 0.00 0.00 175.17 176.88 2jpe n PRO 17 N -0.21 0.75 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.23 2jpe n PRO 17 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 2jpe n PRO 17 Cb 0.43 0.00 -0.01 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 -0.58 0.00 1.18 0.52 5.66 -1.26 -4.32 114.28 115.48 2jpe n THR 18 Ca 0.00 -0.40 0.12 0.00 -3.05 0.00 0.00 64.05 60.73 2jpe n THR 18 Cb 0.00 1.09 0.26 0.00 -1.55 0.00 0.00 70.33 70.14 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 -0.36 0.00 -2.70 1.09 4.27 -1.26 -4.90 117.44 113.58 2jpe n TRP 19 Ca 0.03 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.27 2jpe n TRP 19 Cb 0.18 -0.06 -0.06 0.00 -1.36 0.00 0.00 31.31 30.01 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 -2.41 3.22 0.00 -1.67 0.00 -1.26 -0.01 121.76 119.63 2jpe s ALA 20 Ca 0.24 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.81 2jpe s ALA 20 Cb 0.19 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2jpe s ALA 20 CO 0.50 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.74 2jpe n GLY 21 N 0.67 3.27 2.96 0.00 0.00 -1.10 -4.79 105.19 106.21 2jpe n GLY 21 Ca 0.02 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2jpe n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jpe s LYS 22 N 2.92 0.15 0.37 1.61 2.36 -1.26 -4.41 119.74 121.48 2jpe s LYS 22 Ca 0.00 0.66 -0.25 0.00 -2.55 0.00 0.00 55.97 53.83 2jpe s LYS 22 Cb 0.00 -0.21 -0.09 0.00 -1.05 0.00 0.00 37.83 36.48 2jpe s LYS 22 CO 0.00 -0.35 1.06 -1.25 1.55 0.00 0.00 175.35 176.37 2jpe s PRO 23 N 2.40 4.28 0.70 4.03 0.04 -1.26 -5.04 135.00 140.16 2jpe s PRO 23 Ca 0.02 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2jpe s PRO 23 Cb -0.13 -2.70 0.01 0.00 0.04 0.00 0.00 34.50 31.72 2jpe s PRO 23 CO -0.09 -0.05 1.06 -1.25 0.04 0.00 0.00 177.00 176.71 2jpe s PRO 24 N -2.23 2.89 -1.12 0.56 0.04 -1.26 -4.61 135.00 129.27 2jpe s PRO 24 Ca 0.54 0.94 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 2jpe s PRO 24 Cb -0.24 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2jpe s PRO 24 CO 0.31 -1.13 2.03 -0.35 0.04 0.00 0.00 177.00 177.90 2jpe n PRO 25 N -3.15 2.19 -0.88 0.56 -0.04 -1.26 -3.65 135.00 128.78 2jpe n PRO 25 Ca 0.07 -2.33 -0.03 0.00 -0.04 0.00 0.00 63.50 61.18 2jpe n PRO 25 Cb 0.54 -3.19 -0.02 0.00 -0.04 0.00 0.00 33.50 30.79 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 4.56 -0.02 3.31 0.55 0.00 -1.26 -5.05 105.19 107.28 2jpe n GLY 26 Ca 0.50 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.22 2.35 -0.27 0.99 1.43 -1.24 0.71 118.68 122.44 2jpe s LEU 27 Ca 0.00 -1.13 -0.28 0.00 -1.03 0.00 0.00 54.13 51.69 2jpe s LEU 27 Cb 0.02 -0.36 0.17 0.00 0.03 0.00 0.00 46.19 46.06 2jpe s LEU 27 CO -0.01 -0.41 1.29 -1.38 0.23 0.00 0.00 176.35 176.07 2jpe s HIS 28 N -3.32 -0.14 0.74 0.29 -3.43 -1.25 -3.90 115.29 104.29 2jpe s HIS 28 Ca 0.24 0.27 -0.02 0.00 -0.80 0.00 0.00 55.06 54.76 2jpe s HIS 28 Cb 0.04 0.47 0.14 0.00 -1.43 0.00 0.00 32.58 31.80 2jpe s HIS 28 CO 0.06 -0.10 1.02 -1.17 -2.00 0.00 0.00 174.74 172.55 2jpe s LEU 29 N -0.67 2.95 0.22 5.38 2.96 0.50 -2.36 118.68 127.67 2jpe s LEU 29 Ca 0.06 -0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 53.39 2jpe s LEU 29 Cb -0.02 -1.94 0.04 0.00 0.50 0.00 0.00 46.19 44.76 2jpe s LEU 29 CO -0.08 -1.95 0.73 -1.81 -1.32 0.00 0.00 176.35 171.92 2jpe s ASP 30 N -4.76 -0.33 0.01 3.68 1.01 -1.16 -1.67 116.67 113.45 2jpe s ASP 30 Ca 0.67 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 53.52 2jpe s ASP 30 Cb -0.05 0.66 -0.01 0.00 1.01 0.00 0.00 42.92 44.53 2jpe s ASP 30 CO 0.45 -1.17 -0.03 -0.69 0.21 0.00 0.00 175.17 173.93 2jpe s VAL 31 N -3.77 0.22 -0.02 -1.27 1.01 -0.83 -2.30 120.40 113.44 2jpe s VAL 31 Ca 0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 2jpe s VAL 31 Cb -0.04 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.13 2jpe s VAL 31 CO 0.01 -0.09 0.03 -0.69 0.00 0.00 0.00 175.10 174.36 2jpe s VAL 32 N -0.45 -0.04 -0.41 2.92 1.01 -1.25 0.13 120.40 122.31 2jpe s VAL 32 Ca -0.03 0.23 0.26 0.00 0.00 0.00 0.00 61.98 62.44 2jpe s VAL 32 Cb -0.04 -0.11 0.28 0.00 0.00 0.00 0.00 36.38 36.51 2jpe s VAL 32 CO -0.00 0.11 1.76 0.07 0.00 0.00 0.00 175.10 177.04 2jpe h LYS 33 N 7.45 0.00 0.00 2.72 5.09 -1.74 1.49 116.57 131.58 2jpe h LYS 33 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.33 2jpe h LYS 33 Cb 1.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.45 2jpe h LYS 33 CO 0.44 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.21 2jpe n GLY 34 N 0.17 -0.32 0.42 0.07 0.00 -1.26 -4.68 105.19 99.59 2jpe n GLY 34 Ca 0.02 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 0.41 -3.74 1.61 2.03 -1.26 -4.99 116.55 110.60 2jpe n ASP 35 Ca 0.00 -2.18 -0.14 0.00 0.52 0.00 0.00 54.79 52.99 2jpe n ASP 35 Cb 0.00 -0.24 -0.15 0.00 -0.72 0.00 0.00 41.12 40.02 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2jpe s LYS 36 N -0.49 0.07 -0.12 -0.67 2.20 -1.26 -5.11 119.74 114.35 2jpe s LYS 36 Ca 0.05 0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.73 2jpe s LYS 36 Cb 0.05 -0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 2jpe s LYS 36 CO 0.01 -0.18 1.56 -1.17 -0.36 0.00 0.00 175.35 175.21 2jpe s LEU 37 N 1.24 4.19 0.00 5.43 1.98 -1.26 -1.95 118.68 128.31 2jpe s LEU 37 Ca -0.08 1.98 0.00 0.00 -2.89 0.00 0.00 54.13 53.14 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 -0.06 -0.97 0.05 -0.38 -1.89 0.00 0.00 176.35 173.11 2jpe n ILE 38 N 5.67 0.00 -4.22 6.68 2.08 0.12 -4.94 119.36 124.74 2jpe n ILE 38 Ca 0.17 0.31 -0.11 0.00 0.56 0.00 0.00 62.75 63.67 2jpe n ILE 38 Cb 0.44 -0.83 -0.03 0.00 -0.75 0.00 0.00 39.64 38.46 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 -1.24 0.75 -3.95 0.38 0.28 -1.24 -5.00 120.64 110.63 2jpe n GLU 39 Ca 0.00 -1.57 -0.10 0.00 -0.16 0.00 0.00 57.16 55.33 2jpe n GLU 39 Cb 0.00 0.87 -0.12 0.00 1.43 0.00 0.00 31.44 33.62 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 -2.71 0.21 0.22 3.44 2.20 -1.26 -1.97 119.74 119.87 2jpe s LYS 40 Ca 0.10 -0.39 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 2jpe s LYS 40 Cb 0.00 0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.33 2jpe s LYS 40 CO 0.07 -0.03 0.08 -0.51 -0.36 0.00 0.00 175.35 174.61 2jpe s LEU 41 N -0.93 1.63 0.09 5.43 1.43 -0.67 -4.93 118.68 120.73 2jpe s LEU 41 Ca -0.10 -1.33 0.06 0.00 -1.03 0.00 0.00 54.13 51.72 2jpe s LEU 41 Cb -0.06 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.22 2jpe s LEU 41 CO -0.01 -0.73 -0.05 -0.63 0.23 0.00 0.00 176.35 175.17 2jpe s ILE 42 N -3.85 3.72 0.00 -0.59 1.09 -1.26 0.19 121.20 120.50 2jpe s ILE 42 Ca 0.35 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 2jpe s ILE 42 Cb 0.07 -2.76 0.00 0.00 -1.06 0.00 0.00 42.46 38.72 2jpe s ILE 42 CO 0.11 0.12 0.71 2.30 -0.10 0.00 0.00 174.94 178.08 2jpe n ILE 43 N 0.65 0.00 -2.38 2.92 -6.64 -1.26 -4.53 119.36 108.13 2jpe n ILE 43 Ca -0.12 0.00 -0.34 0.00 -1.77 0.00 0.00 62.75 60.52 2jpe n ILE 43 Cb 0.52 0.72 0.01 0.00 -1.44 0.00 0.00 39.64 39.45 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 6.17 0.00 7.28 5.68 -1.25 -4.47 116.55 129.95 2jpe n ASP 44 Ca 0.00 -3.75 0.00 0.00 -0.50 0.00 0.00 54.79 50.54 2jpe n ASP 44 Cb 0.59 -0.82 0.00 0.00 -1.14 0.00 0.00 41.12 39.75 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jpe n GLU 45 N -0.39 0.00 -2.77 0.11 1.02 -1.26 -4.63 120.64 112.72 2jpe n GLU 45 Ca 0.45 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.46 2jpe n GLU 45 Cb 0.39 -0.18 -0.01 0.00 -0.02 0.00 0.00 31.44 31.62 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 -2.15 1.32 0.00 3.49 -0.00 -1.26 -4.90 118.16 114.66 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 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 35.03 35.31 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 -0.79 1.92 -3.61 -1.58 0.00 -1.26 -4.11 118.16 108.74 2jpe n LYS 47 Ca -0.05 -0.47 -0.03 0.00 -0.00 0.00 0.00 58.31 57.77 2jpe n LYS 47 Cb 0.26 -0.93 -0.06 0.00 -0.00 0.00 0.00 35.03 34.31 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 -0.73 -1.01 0.00 5.58 -0.85 -1.26 -0.21 117.35 118.87 2jpe s TYR 48 Ca 0.04 1.88 0.00 0.00 -0.52 0.00 0.00 57.07 58.47 2jpe s TYR 48 Cb 0.03 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.98 2jpe s TYR 48 CO 0.09 -0.50 0.00 0.66 -1.52 0.00 0.00 175.55 174.28 2jpe n TYR 49 N 4.67 -0.24 -4.45 -3.49 4.01 0.80 -4.94 117.16 113.52 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 0.55 0.00 -0.09 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 1.93 -0.30 7.72 1.02 -1.26 -1.94 118.68 125.85 2jpe s LEU 50 Ca 0.00 -1.61 -0.06 0.00 0.02 0.00 0.00 54.13 52.48 2jpe s LEU 50 Cb 0.00 -0.05 0.18 0.00 0.02 0.00 0.00 46.19 46.35 2jpe s LEU 50 CO 0.00 -0.88 0.80 -0.36 0.02 0.00 0.00 176.35 175.93 2jpe s PHE 51 N -3.33 -1.13 0.00 0.29 0.08 0.51 -4.16 117.98 110.25 2jpe s PHE 51 Ca 0.29 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.51 2jpe s PHE 51 Cb 0.04 0.38 0.00 0.00 -0.57 0.00 0.00 43.02 42.87 2jpe s PHE 51 CO 0.16 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 175.07 2jpe n GLY 52 N 5.44 -0.47 0.36 4.36 0.00 -1.24 0.53 105.19 114.17 2jpe n GLY 52 Ca -0.03 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.96 0.45 116.66 116.86 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 -0.03 -0.02 0.00 -1.02 0.00 0.00 32.46 31.39 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 -1.33 6.68 0.48 0.55 3.04 -1.23 -4.77 114.94 118.35 2jpe s ASN 54 Ca 0.00 0.54 0.27 0.00 0.04 0.00 0.00 52.86 53.71 2jpe s ASN 54 Cb 0.00 -2.54 0.82 0.00 -1.54 0.00 0.00 41.25 37.99 2jpe s ASN 54 CO 0.00 -1.16 1.78 1.55 -3.04 0.00 0.00 177.10 176.24 2jpe h PRO 55 N 8.98 0.00 0.00 0.43 0.13 -1.78 0.51 132.00 140.28 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 0.00 0.22 -0.23 0.00 0.00 178.00 179.14 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.58 -1.94 -3.13 116.42 116.37 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 -0.82 0.18 -2.88 0.00 0.00 179.24 175.72 2jpe n LEU 57 N -2.35 0.82 -4.96 2.28 4.77 -1.09 -5.07 117.00 111.39 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 0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2jpe n LEU 57 CO 0.11 0.08 0.25 0.00 -1.33 0.00 0.00 177.39 176.49 2jpe n ASP 59 N -2.02 1.03 -1.84 0.00 -0.08 -1.26 -4.07 116.55 108.32 2jpe n ASP 59 Ca 0.02 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 2jpe n ASP 59 Cb 0.58 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.95 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 -1.83 -3.60 -0.67 3.01 -1.26 -4.96 117.46 105.06 2jpe n PHE 60 Ca -0.23 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.19 2jpe n PHE 60 Cb 1.06 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 0.44 -0.82 0.29 4.37 -4.23 -1.26 -4.44 115.64 109.98 2jpe s THR 61 Ca 0.00 0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 2jpe s THR 61 Cb 0.00 -0.84 0.09 0.00 1.34 0.00 0.00 72.50 73.09 2jpe s THR 61 CO 0.00 0.02 1.76 0.40 -0.54 0.00 0.00 174.62 176.26 2jpe h ILE 62 N 6.09 1.25 -3.68 2.99 2.04 -0.32 -3.47 117.51 122.40 2jpe h ILE 62 Ca -0.17 -1.12 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 2jpe h ILE 62 Cb 1.11 1.19 0.07 0.00 -0.74 0.00 0.00 36.82 38.45 2jpe h ILE 62 CO 0.13 0.37 -0.30 -0.67 0.00 0.00 0.00 178.15 177.68 2jpe n ASP 63 N -4.17 -3.06 -3.67 1.72 2.03 -1.23 -5.02 116.55 103.14 2jpe n ASP 63 Ca 0.00 -0.25 -0.11 0.00 0.52 0.00 0.00 54.79 54.95 2jpe n ASP 63 Cb 0.36 -2.22 -0.09 0.00 -0.72 0.00 0.00 41.12 38.45 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 -3.14 -0.73 0.19 -0.67 2.46 -1.26 -5.04 115.29 107.09 2jpe s HIS 64 Ca 0.10 1.64 -0.07 0.00 0.47 0.00 0.00 55.06 57.21 2jpe s HIS 64 Cb -0.01 0.32 0.09 0.00 -0.13 0.00 0.00 32.58 32.85 2jpe s HIS 64 CO 0.27 -0.36 1.56 -0.56 -2.47 0.00 0.00 174.74 173.18 2jpe h GLN 65 N 5.99 0.82 -0.12 2.88 3.07 -1.97 -3.16 115.11 122.63 2jpe h GLN 65 Ca -0.30 -0.38 0.05 0.00 0.09 0.00 0.00 58.65 58.10 2jpe h GLN 65 Cb 1.19 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 28.68 2jpe h GLN 65 CO 0.17 1.01 -0.29 0.77 0.09 0.00 0.00 178.83 180.59 2jpe h SER 66 N 0.69 -0.88 -1.01 0.06 0.02 -2.01 -3.42 113.55 107.00 2jpe h SER 66 Ca 0.08 0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2jpe h SER 66 Cb 0.85 0.38 0.03 0.00 0.14 0.00 0.00 62.40 63.80 2jpe h SER 66 CO 0.07 -0.33 -0.02 0.00 -1.14 0.00 0.00 176.83 175.41 2jpe s SER 68 N -1.87 1.14 0.27 0.00 0.01 -1.26 -4.97 113.70 107.01 2jpe s SER 68 Ca 0.08 -1.39 -0.05 0.00 1.31 0.00 0.00 55.95 55.90 2jpe s SER 68 Cb -0.01 0.19 0.53 0.00 0.21 0.00 0.00 66.02 66.93 2jpe s SER 68 CO 0.07 -0.74 1.61 0.03 0.41 0.00 0.00 173.24 174.61 2jpe h ARG 69 N 2.39 0.06 -2.19 12.44 -0.00 -1.93 -2.12 114.38 123.04 2jpe h ARG 69 Ca -0.38 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.53 2jpe h ARG 69 Cb 1.25 -0.01 -0.41 0.00 0.00 0.00 0.00 29.97 30.79 2jpe h ARG 69 CO 0.60 0.04 -0.78 0.28 0.00 0.00 0.00 179.97 180.11 2jpe n VAL 70 N -5.42 1.97 -0.26 2.04 0.31 -1.26 -2.27 118.33 113.44 2jpe n VAL 70 Ca 0.17 -5.18 -0.00 0.00 -0.01 0.00 0.00 64.34 59.31 2jpe n VAL 70 Cb 0.56 -1.35 0.07 0.00 -0.91 0.00 0.00 33.84 32.20 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 3.30 -0.59 -2.01 3.52 2.76 -0.05 -3.42 115.15 118.66 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 0.66 0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.99 2jpe h HIS 71 CO 0.70 -0.35 0.00 0.00 -1.30 0.00 0.00 177.93 176.98 2jpe n ALA 72 N -3.25 -0.01 -3.40 5.26 0.00 0.19 -2.84 120.51 116.45 2jpe n ALA 72 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2jpe n ALA 72 Cb 0.38 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.24 -1.28 0.18 0.00 0.00 -0.66 -0.36 121.76 118.40 2jpe s ALA 73 Ca 0.00 1.21 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 2jpe s ALA 73 Cb -0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2jpe s ALA 73 CO 0.00 -0.27 0.39 -1.17 0.00 0.00 0.00 175.76 174.71 2jpe s LEU 74 N -0.34 4.23 -0.14 0.00 0.20 -0.82 -0.44 118.68 121.38 2jpe s LEU 74 Ca -0.05 0.50 -0.06 0.00 0.69 0.00 0.00 54.13 55.21 2jpe s LEU 74 Cb -0.03 -3.25 0.06 0.00 -0.43 0.00 0.00 46.19 42.53 2jpe s LEU 74 CO 0.03 -0.01 0.31 -0.69 -0.29 0.00 0.00 176.35 175.70 2jpe s VAL 75 N -1.79 -0.20 -0.43 1.68 1.01 0.25 -0.14 120.40 120.78 2jpe s VAL 75 Ca 0.40 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 2jpe s VAL 75 Cb -0.11 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2jpe s VAL 75 CO 0.27 0.07 0.67 -0.47 0.00 0.00 0.00 175.10 175.65 2jpe s TYR 76 N 1.73 3.06 0.70 5.22 5.04 0.70 0.13 117.35 133.94 2jpe s TYR 76 Ca -0.06 0.05 -0.15 0.00 -2.44 0.00 0.00 57.07 54.47 2jpe s TYR 76 Cb -0.10 -3.39 0.03 0.00 0.35 0.00 0.00 41.96 38.84 2jpe s TYR 76 CO -0.10 -0.86 1.18 -1.58 -1.34 0.00 0.00 175.55 172.85 2jpe s HIS 77 N 2.91 2.20 -0.09 4.97 5.65 0.42 -2.70 115.29 128.66 2jpe s HIS 77 Ca 0.24 1.58 -0.01 0.00 0.25 0.00 0.00 55.06 57.13 2jpe s HIS 77 Cb -0.14 -3.40 -0.05 0.00 -1.18 0.00 0.00 32.58 27.81 2jpe s HIS 77 CO 0.19 -2.37 -0.09 0.36 -0.65 0.00 0.00 174.74 172.18 2jpe n LYS 78 N -2.57 0.22 0.06 2.88 2.85 0.98 -2.93 118.16 119.64 2jpe n LYS 78 Ca 0.13 0.06 0.10 0.00 -1.05 0.00 0.00 58.31 57.55 2jpe n LYS 78 Cb 0.51 -1.08 0.42 0.00 -0.65 0.00 0.00 35.03 34.23 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 -2.96 0.39 -0.02 5.58 8.25 -1.26 -3.04 115.22 122.16 2jpe n HIS 79 Ca -0.17 0.14 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 2jpe n HIS 79 Cb 0.66 -0.73 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.85 0.50 -1.08 2.41 4.77 -1.26 -5.02 117.00 115.47 2jpe n LEU 80 Ca 0.04 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.94 2jpe n LEU 80 Cb 0.24 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 2jpe n LEU 80 CO 0.19 0.18 -0.01 0.29 -1.33 0.00 0.00 177.39 176.71 2jpe n LYS 81 N -2.24 -1.42 -1.37 3.23 4.76 -1.15 -5.03 118.16 114.95 2jpe n LYS 81 Ca -0.07 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2jpe n LYS 81 Cb 0.63 -3.92 0.00 0.00 -1.84 0.00 0.00 35.03 29.90 2jpe n LYS 81 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jpe n ARG 82 N -1.77 1.34 -4.43 1.97 1.74 -1.20 -4.93 116.66 109.39 2jpe n ARG 82 Ca -0.04 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 2jpe n ARG 82 Cb 0.54 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.89 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 -1.01 2.40 0.02 1.55 1.01 -1.22 0.16 120.40 123.31 2jpe s VAL 83 Ca 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 61.98 59.85 2jpe s VAL 83 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.61 2jpe s VAL 83 CO 0.00 -0.17 0.18 -0.36 0.00 0.00 0.00 175.10 174.75 2jpe s PHE 84 N -2.58 0.05 -0.25 5.22 0.40 0.35 0.22 117.98 121.39 2jpe s PHE 84 Ca 0.34 -0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 2jpe s PHE 84 Cb 0.02 -0.04 0.07 0.00 0.51 0.00 0.00 43.02 43.58 2jpe s PHE 84 CO 0.18 -0.38 -0.03 -1.17 0.70 0.00 0.00 175.22 174.53 2jpe s LEU 85 N -1.81 2.81 -0.45 -0.37 2.96 -0.59 -0.59 118.68 120.64 2jpe s LEU 85 Ca -0.09 -1.33 -0.20 0.00 -0.22 0.00 0.00 54.13 52.30 2jpe s LEU 85 Cb -0.03 -1.21 0.03 0.00 0.50 0.00 0.00 46.19 45.47 2jpe s LEU 85 CO -0.01 -0.26 0.60 -0.63 -1.32 0.00 0.00 176.35 174.72 2jpe s ILE 86 N 1.35 4.88 -0.79 6.68 1.01 0.42 -2.63 121.20 132.13 2jpe s ILE 86 Ca -0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.29 2jpe s ILE 86 Cb -0.19 -4.20 -0.16 0.00 0.01 0.00 0.00 42.46 37.93 2jpe s ILE 86 CO -0.08 -0.61 1.91 0.47 0.00 0.00 0.00 174.94 176.63 2jpe n ASP 87 N 6.13 2.52 -4.44 3.58 9.92 -1.25 -1.65 116.55 131.37 2jpe n ASP 87 Ca -0.04 -2.67 -0.15 0.00 -0.53 0.00 0.00 54.79 51.40 2jpe n ASP 87 Cb 0.47 -1.16 -0.13 0.00 -0.64 0.00 0.00 41.12 39.66 2jpe n ASP 87 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jpe n LEU 88 N 8.36 -0.32 -4.06 0.64 4.77 -1.13 -2.22 117.00 123.04 2jpe n LEU 88 Ca 0.49 -1.20 -0.29 0.00 -0.03 0.00 0.00 56.01 54.98 2jpe n LEU 88 Cb 0.41 -1.00 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 2jpe n LEU 88 CO 1.00 -2.08 -0.33 -0.46 -1.33 0.00 0.00 177.39 174.20 2jpe n ASN 89 N 10.79 0.17 -4.59 -1.43 0.23 -1.23 -4.54 115.26 114.66 2jpe n ASN 89 Ca 0.47 -1.08 -0.49 0.00 -0.53 0.00 0.00 54.58 52.95 2jpe n ASN 89 Cb 0.32 -1.35 -0.04 0.00 -2.08 0.00 0.00 39.78 36.63 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 -2.29 1.54 -0.29 0.53 2.88 -0.94 -4.77 113.62 110.28 2jpe n SER 90 Ca -0.18 1.14 0.23 0.00 -1.33 0.00 0.00 58.87 58.73 2jpe n SER 90 Cb 0.54 -1.23 0.42 0.00 -0.75 0.00 0.00 64.21 63.19 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 1.81 -0.37 0.01 2.46 5.66 -1.26 -3.55 114.28 119.04 2jpe n THR 91 Ca 0.16 1.85 -0.01 0.00 -3.05 0.00 0.00 64.05 62.99 2jpe n THR 91 Cb 0.24 -2.88 -0.00 0.00 -1.55 0.00 0.00 70.33 66.13 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 -5.10 0.00 0.00 1.09 8.25 -1.26 -5.13 115.22 113.07 2jpe n HIS 92 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 2jpe n HIS 92 Cb 0.97 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 32.03 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 3.14 2.34 3.55 -1.41 0.00 -1.23 -4.98 105.19 106.59 2jpe n GLY 93 Ca -0.02 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.72 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 3.08 0.07 2.61 2.01 -1.26 0.18 115.64 120.32 2jpe s THR 94 Ca 0.00 -1.72 -0.00 0.00 0.31 0.00 0.00 61.69 60.28 2jpe s THR 94 Cb 0.00 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 2jpe s THR 94 CO 0.00 -0.12 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.42 2jpe s PHE 95 N -1.72 0.65 -0.64 4.92 0.40 -0.18 -0.50 117.98 120.91 2jpe s PHE 95 Ca 0.25 -1.05 0.04 0.00 -0.60 0.00 0.00 56.93 55.56 2jpe s PHE 95 Cb -0.09 -0.43 0.36 0.00 0.51 0.00 0.00 43.02 43.37 2jpe s PHE 95 CO 0.15 -0.34 1.21 -0.11 0.70 0.00 0.00 175.22 176.83 2jpe n LEU 96 N 0.05 5.24 0.00 -0.37 7.94 0.10 -0.59 117.00 129.37 2jpe n LEU 96 Ca -0.13 -5.46 0.00 0.00 -1.11 0.00 0.00 56.01 49.31 2jpe n LEU 96 Cb 0.61 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.89 2jpe n LEU 96 CO 0.29 2.23 0.00 0.61 -1.11 0.00 0.00 177.39 179.41 2jpe n GLY 97 N -0.30 2.10 0.07 -3.96 0.00 0.28 -3.76 105.19 99.62 2jpe n GLY 97 Ca 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.46 1.61 1.44 -1.26 -4.91 115.22 107.63 2jpe n HIS 98 Ca 0.00 -0.09 -0.24 0.00 -2.01 0.00 0.00 57.72 55.38 2jpe n HIS 98 Cb 0.00 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 29.99 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 -0.21 2.51 0.07 0.61 1.01 -1.25 -5.15 121.20 118.80 2jpe s ILE 99 Ca 0.01 -2.38 0.08 0.00 0.00 0.00 0.00 60.65 58.36 2jpe s ILE 99 Cb 0.01 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 2jpe s ILE 99 CO 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 174.94 174.32 2jpe s ARG 100 N -3.52 1.44 0.31 2.79 1.04 -1.26 0.01 118.95 119.75 2jpe s ARG 100 Ca 0.30 -1.08 0.09 0.00 -1.04 0.00 0.00 55.73 54.01 2jpe s ARG 100 Cb -0.05 -1.65 -0.05 0.00 -2.04 0.00 0.00 34.95 31.17 2jpe s ARG 100 CO 0.15 0.41 0.01 -0.51 -0.04 0.00 0.00 175.30 175.33 2jpe s LEU 101 N -1.44 3.08 0.40 -1.89 1.43 0.35 -4.93 118.68 115.68 2jpe s LEU 101 Ca 0.09 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 2jpe s LEU 101 Cb -0.09 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2jpe s LEU 101 CO 0.03 -0.13 0.68 -1.61 0.23 0.00 0.00 176.35 175.55 2jpe s GLU 102 N -3.71 3.59 -0.43 1.70 0.41 -1.24 -4.35 118.70 114.67 2jpe s GLU 102 Ca 0.34 0.09 -0.06 0.00 -0.41 0.00 0.00 54.97 54.93 2jpe s GLU 102 Cb -0.03 -2.50 -0.16 0.00 -1.78 0.00 0.00 34.13 29.67 2jpe s GLU 102 CO 0.20 -0.01 2.72 -0.35 -0.49 0.00 0.00 175.26 177.32 2jpe n PRO 103 N -1.72 1.95 0.00 0.39 -0.04 -1.26 -3.12 135.00 131.21 2jpe n PRO 103 Ca -0.01 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 2jpe n PRO 103 Cb 0.55 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 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 3.09 0.00 -2.40 0.54 8.25 -1.20 -3.48 115.22 120.01 2jpe n HIS 104 Ca 0.42 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.45 2jpe n HIS 104 Cb 0.51 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 2jpe n HIS 104 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2jpe s LYS 105 N 0.00 4.32 0.67 -0.41 -2.85 -1.18 -4.77 119.74 115.52 2jpe s LYS 105 Ca 0.00 1.74 -0.12 0.00 -1.00 0.00 0.00 55.97 56.59 2jpe s LYS 105 Cb 0.00 -3.58 -0.00 0.00 -2.06 0.00 0.00 37.83 32.19 2jpe s LYS 105 CO 0.00 -0.50 1.06 -1.25 0.10 0.00 0.00 175.35 174.76 2jpe s PRO 106 N 2.39 3.02 -0.17 1.78 0.04 -1.26 -3.63 135.00 137.17 2jpe s PRO 106 Ca 0.58 0.99 -0.03 0.00 0.04 0.00 0.00 61.00 62.58 2jpe s PRO 106 Cb -0.26 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2jpe s PRO 106 CO 0.22 -1.03 0.04 -1.14 0.04 0.00 0.00 177.00 175.13 2jpe s GLN 107 N -4.87 0.55 1.00 4.56 2.00 -1.08 -4.90 119.66 116.92 2jpe s GLN 107 Ca 0.59 -0.27 -0.20 0.00 -2.00 0.00 0.00 55.36 53.48 2jpe s GLN 107 Cb -0.14 -1.86 -0.13 0.00 0.80 0.00 0.00 33.01 31.68 2jpe s GLN 107 CO 0.52 -0.58 -0.85 0.00 -0.50 0.00 0.00 175.29 173.87 2jpe n GLN 108 N 5.10 -0.12 -3.60 1.67 10.64 -1.26 -1.55 117.38 128.27 2jpe n GLN 108 Ca -0.08 -0.03 -0.26 0.00 -1.83 0.00 0.00 57.00 54.80 2jpe n GLN 108 Cb 0.48 -1.13 -0.17 0.00 -0.86 0.00 0.00 30.24 28.56 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 -0.09 0.85 -0.39 -1.09 0.60 -4.67 121.20 114.35 2jpe s ILE 109 Ca 0.42 -0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.50 2jpe s ILE 109 Cb -0.10 -0.61 0.10 0.00 -1.58 0.00 0.00 42.46 40.27 2jpe s ILE 109 CO 0.76 -0.32 1.11 -2.16 -1.23 0.00 0.00 174.94 173.10 2jpe s PRO 110 N 2.14 1.69 0.52 2.79 0.04 -1.26 -3.44 135.00 137.47 2jpe s PRO 110 Ca 0.03 0.49 -0.20 0.00 0.04 0.00 0.00 61.00 61.36 2jpe s PRO 110 Cb -0.16 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2jpe s PRO 110 CO -0.12 -1.86 1.09 0.42 0.04 0.00 0.00 177.00 176.56 2jpe s ILE 111 N -3.21 3.46 -1.50 0.56 -1.09 -1.26 -2.56 121.20 115.60 2jpe s ILE 111 Ca 0.62 0.91 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 2jpe s ILE 111 Cb -0.15 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2jpe s ILE 111 CO 0.54 -0.20 0.00 -0.67 -1.23 0.00 0.00 174.94 173.38 2jpe n ASP 112 N -1.14 -4.73 -2.36 3.58 2.03 0.28 -4.93 116.55 109.29 2jpe n ASP 112 Ca 0.10 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.76 2jpe n ASP 112 Cb 0.52 -3.95 0.00 0.00 -0.72 0.00 0.00 41.12 36.96 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 -0.88 -0.37 -3.66 1.67 2.88 -1.06 -4.86 113.62 107.34 2jpe n SER 113 Ca -0.14 -0.67 -0.08 0.00 -1.33 0.00 0.00 58.87 56.65 2jpe n SER 113 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 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 -0.85 -0.15 0.07 2.46 2.01 -1.25 -3.61 115.64 114.31 2jpe s THR 114 Ca 0.00 0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.13 2jpe s THR 114 Cb 0.00 -0.83 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 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 1.74 1.78 -0.16 3.82 -7.23 -0.18 0.10 120.40 120.27 2jpe s VAL 115 Ca -0.09 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2jpe s VAL 115 Cb -0.07 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.35 2jpe s VAL 115 CO -0.17 0.12 0.04 -0.94 -0.31 0.00 0.00 175.10 173.84 2jpe s SER 116 N -1.51 2.44 1.31 4.85 1.04 0.24 -0.71 113.70 121.36 2jpe s SER 116 Ca 0.08 -0.59 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 2jpe s SER 116 Cb -0.09 -0.47 0.32 0.00 0.10 0.00 0.00 66.02 65.88 2jpe s SER 116 CO 0.03 -0.29 1.04 0.49 0.98 0.00 0.00 173.24 175.49 2jpe n PHE 117 N 5.13 -3.88 0.00 5.02 3.01 -1.15 -1.01 117.46 124.57 2jpe n PHE 117 Ca -0.08 -0.95 0.00 0.00 1.01 0.00 0.00 57.45 57.43 2jpe n PHE 117 Cb 0.48 -1.17 0.00 0.00 -0.01 0.00 0.00 39.48 38.79 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 -5.01 -2.79 0.00 1.37 0.00 0.46 -4.40 105.19 94.82 2jpe n GLY 118 Ca 0.15 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.90 -0.03 -1.12 4.61 0.00 -1.26 -4.73 120.51 116.08 2jpe n ALA 119 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 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 -1.13 0.00 0.00 0.00 177.50 176.37 2jpe n SER 120 N -1.22 0.28 0.00 0.00 3.41 -1.26 -4.66 113.62 110.17 2jpe n SER 120 Ca 0.00 0.20 0.09 0.00 -0.26 0.00 0.00 58.87 58.91 2jpe n SER 120 Cb 0.00 -0.70 0.49 0.00 -0.26 0.00 0.00 64.21 63.73 2jpe n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jpe n THR 121 N 5.61 0.35 -0.83 6.66 -2.24 -1.26 -2.96 114.28 119.62 2jpe n THR 121 Ca 0.49 0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 62.02 2jpe n THR 121 Cb 0.01 -0.79 0.09 0.00 -2.10 0.00 0.00 70.33 67.55 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 -1.22 -0.79 -3.10 -0.78 5.12 -1.26 -4.78 116.66 109.84 2jpe n ARG 122 Ca 0.10 -0.22 -0.21 0.00 -1.93 0.00 0.00 57.85 55.58 2jpe n ARG 122 Cb 0.13 -1.31 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 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 -3.92 3.01 -1.21 7.54 0.00 0.51 -4.21 120.51 122.22 2jpe n ALA 123 Ca -0.01 -3.89 -0.46 0.00 0.00 0.00 0.00 53.44 49.09 2jpe n ALA 123 Cb 0.66 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 19.14 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 0.11 0.79 -3.23 0.00 4.01 0.12 -3.90 117.16 115.05 2jpe n TYR 124 Ca 0.27 0.53 -0.45 0.00 -0.16 0.00 0.00 57.90 58.09 2jpe n TYR 124 Cb 0.56 -2.07 -0.06 0.00 -0.31 0.00 0.00 39.34 37.46 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 6.53 5.03 -0.43 -0.72 2.01 -0.97 -1.01 115.64 126.07 2jpe s THR 125 Ca 1.13 -1.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 2jpe s THR 125 Cb -1.24 -4.34 0.00 0.00 0.01 0.00 0.00 72.50 66.94 2jpe s THR 125 CO 0.52 -0.88 1.54 -0.22 -0.69 0.00 0.00 174.62 174.89 2jpe s LEU 126 N 2.15 3.51 0.00 4.42 1.98 -1.24 -2.98 118.68 126.53 2jpe s LEU 126 Ca 0.08 0.81 0.02 0.00 -2.89 0.00 0.00 54.13 52.16 2jpe s LEU 126 Cb -0.25 -3.37 0.04 0.00 0.66 0.00 0.00 46.19 43.27 2jpe s LEU 126 CO 0.06 -1.62 0.31 -1.14 -1.89 0.00 0.00 176.35 172.07 2jpe n ARG 127 N 8.35 0.70 -3.22 1.98 3.00 -0.99 0.10 116.66 126.59 2jpe n ARG 127 Ca 0.18 -1.08 -0.01 0.00 -0.00 0.00 0.00 57.85 56.94 2jpe n ARG 127 Cb 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 32.46 32.78 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 -3.07 0.50 -0.86 -0.14 2.12 -1.26 -3.91 118.70 112.06 2jpe s GLU 128 Ca 0.23 0.61 -0.23 0.00 0.36 0.00 0.00 54.97 55.93 2jpe s GLU 128 Cb -0.02 0.11 -0.21 0.00 0.26 0.00 0.00 34.13 34.27 2jpe s GLU 128 CO 0.14 -0.84 2.25 1.63 -0.54 0.00 0.00 175.26 177.91 2jpe n LYS 129 N 5.40 0.00 0.00 4.30 5.02 0.22 -4.85 118.16 128.26 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 0.51 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 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 6.88 0.66 -1.64 1.97 -0.04 -1.26 -4.79 135.00 136.77 2jpe n PRO 130 Ca 0.57 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 63.55 2jpe n PRO 130 Cb 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.45 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 1.81 0.00 0.54 0.00 -1.26 -5.14 117.38 113.05 2jpe n GLN 131 Ca 0.00 0.65 0.07 0.00 -0.00 0.00 0.00 57.00 57.72 2jpe n GLN 131 Cb 0.00 -2.38 0.06 0.00 0.00 0.00 0.00 30.24 27.91 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69