#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 3.34 -0.50 3.04 0.00 -1.26 -5.02 121.76 121.36 2jpe s ALA 2 Ca 0.00 0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2jpe s ALA 2 Cb 0.00 -3.06 0.14 0.00 0.00 0.00 0.00 23.12 20.19 2jpe s ALA 2 CO 0.00 0.03 0.28 0.00 0.00 0.00 0.00 175.76 176.07 2jpe s ALA 3 N 0.01 2.75 -0.81 0.00 0.00 -1.26 -5.01 121.76 117.43 2jpe s ALA 3 Ca 0.41 -2.98 0.01 0.00 0.00 0.00 0.00 51.96 49.40 2jpe s ALA 3 Cb -0.21 -2.01 0.20 0.00 0.00 0.00 0.00 23.12 21.10 2jpe s ALA 3 CO 0.24 -2.05 0.69 0.00 0.00 0.00 0.00 175.76 174.65 2jpe n ALA 4 N 3.19 3.71 -2.56 0.00 0.00 -1.26 -5.04 120.51 118.54 2jpe n ALA 4 Ca 0.09 -4.59 -0.19 0.00 0.00 0.00 0.00 53.44 48.74 2jpe n ALA 4 Cb 0.34 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 2jpe n ALA 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jpe s VAL 5 N -1.53 1.35 -0.02 0.00 0.11 -1.26 -5.15 120.40 113.90 2jpe s VAL 5 Ca 0.28 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 2jpe s VAL 5 Cb -0.04 -1.41 0.02 0.00 -1.53 0.00 0.00 36.38 33.42 2jpe s VAL 5 CO -0.13 -0.30 0.02 0.21 -3.33 0.00 0.00 175.10 171.57 2jpe s ASN 6 N -2.16 0.14 0.00 3.54 3.84 -1.26 -5.08 114.94 113.95 2jpe s ASN 6 Ca 0.06 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.14 2jpe s ASN 6 Cb -0.07 -0.09 0.00 0.00 -0.55 0.00 0.00 41.25 40.54 2jpe s ASN 6 CO 0.03 -0.10 0.66 -0.24 -2.79 0.00 0.00 177.10 174.67 2jpe n SER 7 N 3.94 0.00 0.00 -4.21 2.88 -1.26 -5.02 113.62 109.96 2jpe n SER 7 Ca -0.25 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2jpe n SER 7 Cb 0.52 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 2jpe n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jpe n GLY 8 N -0.40 0.29 2.02 0.46 0.00 -1.26 -5.03 105.19 101.26 2jpe n GLY 8 Ca 0.00 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.16 -0.80 1.61 3.41 -1.26 -4.96 113.62 109.46 2jpe n SER 9 Ca 0.00 -0.78 0.09 0.00 -0.26 0.00 0.00 58.87 57.91 2jpe n SER 9 Cb 0.00 -0.59 0.24 0.00 -0.26 0.00 0.00 64.21 63.60 2jpe n SER 9 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jpe n SER 10 N -4.29 3.69 -4.94 4.04 7.64 -1.26 -5.00 113.62 113.49 2jpe n SER 10 Ca 0.09 -2.96 -0.24 0.00 1.01 0.00 0.00 58.87 56.76 2jpe n SER 10 Cb 0.35 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 2jpe n SER 10 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jpe s LEU 11 N -2.72 4.14 0.00 -3.43 2.01 -1.26 -5.11 118.68 112.31 2jpe s LEU 11 Ca 0.40 0.36 0.00 0.00 0.01 0.00 0.00 54.13 54.90 2jpe s LEU 11 Cb 0.32 -3.18 0.00 0.00 0.01 0.00 0.00 46.19 43.35 2jpe s LEU 11 CO 0.09 -0.17 0.00 -0.81 1.01 0.00 0.00 176.35 176.46 2jpe n PRO 12 N -1.38 0.70 -0.04 1.29 -0.04 -1.26 -5.03 135.00 129.24 2jpe n PRO 12 Ca -0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.36 2jpe n PRO 12 Cb 0.56 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.67 -3.54 1.53 -0.00 -1.26 -5.08 117.00 109.32 2jpe n LEU 13 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 56.01 55.92 2jpe n LEU 13 Cb 0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.47 2jpe n LEU 13 CO 0.00 0.29 0.67 0.12 -0.00 0.00 0.00 177.39 178.47 2jpe s PHE 14 N -2.18 -0.33 -0.13 1.47 2.19 -1.26 -4.99 117.98 112.75 2jpe s PHE 14 Ca -0.06 0.16 -0.01 0.00 0.33 0.00 0.00 56.93 57.36 2jpe s PHE 14 Cb 0.02 0.56 0.03 0.00 -1.31 0.00 0.00 43.02 42.32 2jpe s PHE 14 CO 0.28 -0.62 -0.06 0.34 1.83 0.00 0.00 175.22 177.00 2jpe s ASP 15 N -2.58 2.38 0.37 6.13 2.15 -1.26 -5.12 116.67 118.75 2jpe s ASP 15 Ca 0.06 -0.43 -0.27 0.00 0.43 0.00 0.00 52.55 52.34 2jpe s ASP 15 Cb -0.01 -0.82 -0.09 0.00 -0.30 0.00 0.00 42.92 41.70 2jpe s ASP 15 CO -0.08 -0.16 1.27 0.00 -0.17 0.00 0.00 175.17 176.03 2jpe n PRO 17 N 0.39 0.74 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.82 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 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 1.18 0.52 5.66 -1.26 -4.33 114.28 115.44 2jpe n THR 18 Ca 0.00 -0.42 0.12 0.00 -3.05 0.00 0.00 64.05 60.70 2jpe n THR 18 Cb 0.00 1.10 0.25 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.24 0.00 -2.66 1.09 4.27 -1.26 -4.90 117.44 113.74 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 0.17 -0.05 -0.05 0.00 -1.36 0.00 0.00 31.31 30.02 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 -2.37 3.20 0.00 -1.67 0.00 -1.26 -0.17 121.76 119.48 2jpe s ALA 20 Ca 0.25 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2jpe s ALA 20 Cb 0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2jpe s ALA 20 CO 0.49 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2jpe n GLY 21 N 0.63 3.51 2.86 0.00 0.00 -1.11 -4.79 105.19 106.30 2jpe n GLY 21 Ca 0.02 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 3.13 0.07 0.38 1.61 2.36 -1.26 -4.41 119.74 121.62 2jpe s LYS 22 Ca 0.00 0.56 -0.25 0.00 -2.55 0.00 0.00 55.97 53.73 2jpe s LYS 22 Cb 0.00 -0.33 -0.09 0.00 -1.05 0.00 0.00 37.83 36.36 2jpe s LYS 22 CO 0.00 -0.34 1.06 -1.25 1.55 0.00 0.00 175.35 176.37 2jpe s PRO 23 N 2.32 4.24 0.72 4.03 0.04 -1.26 -5.04 135.00 140.05 2jpe s PRO 23 Ca 0.03 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 2jpe s PRO 23 Cb -0.12 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.78 2jpe s PRO 23 CO -0.07 -0.09 1.07 -1.25 0.04 0.00 0.00 177.00 176.70 2jpe s PRO 24 N -2.31 2.76 -1.10 0.56 0.04 -1.26 -4.63 135.00 129.06 2jpe s PRO 24 Ca 0.56 0.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 2jpe s PRO 24 Cb -0.24 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 2jpe s PRO 24 CO 0.30 -1.21 2.08 -0.35 0.04 0.00 0.00 177.00 177.87 2jpe n PRO 25 N -3.19 2.16 -0.86 0.56 -0.04 -1.26 -3.56 135.00 128.80 2jpe n PRO 25 Ca 0.07 -2.20 -0.03 0.00 -0.04 0.00 0.00 63.50 61.31 2jpe n PRO 25 Cb 0.54 -3.08 -0.02 0.00 -0.04 0.00 0.00 33.50 30.89 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 4.31 0.01 3.31 0.55 0.00 -1.26 -5.05 105.19 107.05 2jpe n GLY 26 Ca 0.51 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.19 2.53 -0.27 0.99 1.43 -1.23 0.49 118.68 122.43 2jpe s LEU 27 Ca 0.00 -1.03 -0.27 0.00 -1.03 0.00 0.00 54.13 51.80 2jpe s LEU 27 Cb 0.02 -0.52 0.17 0.00 0.03 0.00 0.00 46.19 45.90 2jpe s LEU 27 CO -0.01 -0.26 1.28 -1.38 0.23 0.00 0.00 176.35 176.22 2jpe s HIS 28 N -3.14 -0.16 0.59 0.29 -3.43 -1.25 -3.76 115.29 104.42 2jpe s HIS 28 Ca 0.20 0.33 -0.02 0.00 -0.80 0.00 0.00 55.06 54.77 2jpe s HIS 28 Cb 0.01 0.47 0.12 0.00 -1.43 0.00 0.00 32.58 31.75 2jpe s HIS 28 CO 0.04 -0.11 0.81 1.28 -2.00 0.00 0.00 174.74 174.76 2jpe n LEU 29 N 1.13 0.00 -3.67 5.38 4.77 0.47 -2.31 117.00 122.77 2jpe n LEU 29 Ca -0.07 -1.51 -0.06 0.00 -0.03 0.00 0.00 56.01 54.34 2jpe n LEU 29 Cb 0.58 -0.54 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2jpe n LEU 29 CO 0.06 -0.94 0.64 -1.81 -1.33 0.00 0.00 177.39 174.02 2jpe s ASP 30 N -4.20 -0.27 0.02 -1.43 1.01 -1.20 -2.20 116.67 108.40 2jpe s ASP 30 Ca 0.52 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 53.50 2jpe s ASP 30 Cb -0.03 0.51 -0.02 0.00 1.01 0.00 0.00 42.92 44.40 2jpe s ASP 30 CO 0.35 -0.90 -0.05 -0.69 0.21 0.00 0.00 175.17 174.08 2jpe s VAL 31 N -3.38 0.36 -0.07 -1.27 1.01 -0.65 -2.17 120.40 114.23 2jpe s VAL 31 Ca 0.09 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2jpe s VAL 31 Cb -0.02 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.98 2jpe s VAL 31 CO -0.01 -0.27 0.16 -0.69 0.00 0.00 0.00 175.10 174.28 2jpe s VAL 32 N -1.01 -0.04 -0.48 2.92 1.01 -1.21 -0.12 120.40 121.46 2jpe s VAL 32 Ca -0.08 0.16 0.26 0.00 0.00 0.00 0.00 61.98 62.31 2jpe s VAL 32 Cb -0.07 -0.25 0.29 0.00 0.00 0.00 0.00 36.38 36.34 2jpe s VAL 32 CO -0.00 0.06 1.76 0.07 0.00 0.00 0.00 175.10 176.99 2jpe h LYS 33 N 7.08 0.00 0.00 2.72 5.09 -1.72 1.33 116.57 131.07 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 1.15 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.48 2jpe h LYS 33 CO 0.42 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.19 2jpe n GLY 34 N 0.50 -0.16 0.47 0.07 0.00 -1.26 -4.80 105.19 100.01 2jpe n GLY 34 Ca 0.03 0.27 0.01 0.00 0.00 0.00 0.00 46.02 46.33 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 0.31 -3.74 1.61 8.00 -1.26 -5.02 116.55 116.44 2jpe n ASP 35 Ca 0.00 -2.14 -0.14 0.00 0.71 0.00 0.00 54.79 53.22 2jpe n ASP 35 Cb 0.00 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 40.72 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2jpe s LYS 36 N -0.35 0.08 -0.11 -1.24 2.20 -1.26 -5.11 119.74 113.95 2jpe s LYS 36 Ca 0.05 0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 2jpe s LYS 36 Cb 0.04 -0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.13 2jpe s LYS 36 CO 0.00 -0.18 1.62 -1.17 -0.36 0.00 0.00 175.35 175.26 2jpe s LEU 37 N 1.28 4.19 0.00 5.43 1.98 -1.26 -1.92 118.68 128.38 2jpe s LEU 37 Ca -0.08 2.04 0.00 0.00 -2.89 0.00 0.00 54.13 53.20 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 -1.01 0.04 -0.38 -1.89 0.00 0.00 176.35 173.06 2jpe n ILE 38 N 5.72 0.00 -4.31 6.68 2.08 0.83 -4.94 119.36 125.43 2jpe n ILE 38 Ca 0.18 0.27 -0.16 0.00 0.56 0.00 0.00 62.75 63.60 2jpe n ILE 38 Cb 0.44 -0.73 -0.04 0.00 -0.75 0.00 0.00 39.64 38.55 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 -1.13 0.70 -3.99 0.38 0.28 -1.24 -4.99 120.64 110.65 2jpe n GLU 39 Ca 0.00 -2.14 -0.11 0.00 -0.16 0.00 0.00 57.16 54.76 2jpe n GLU 39 Cb 0.00 1.18 -0.12 0.00 1.43 0.00 0.00 31.44 33.93 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 -2.96 0.31 0.19 3.44 2.20 -1.26 -1.64 119.74 120.02 2jpe s LYS 40 Ca 0.13 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 2jpe s LYS 40 Cb 0.01 -0.02 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2jpe s LYS 40 CO 0.09 -0.01 0.08 -0.51 -0.36 0.00 0.00 175.35 174.64 2jpe s LEU 41 N -1.17 1.63 0.11 5.43 1.43 -0.93 -4.93 118.68 120.24 2jpe s LEU 41 Ca -0.11 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 51.73 2jpe s LEU 41 Cb -0.08 0.17 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 2jpe s LEU 41 CO -0.01 -0.73 0.04 -0.63 0.23 0.00 0.00 176.35 175.26 2jpe s ILE 42 N -3.92 4.19 0.00 -0.59 1.09 -1.26 0.18 121.20 120.88 2jpe s ILE 42 Ca 0.32 -0.99 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 2jpe s ILE 42 Cb 0.07 -3.03 0.00 0.00 -1.06 0.00 0.00 42.46 38.44 2jpe s ILE 42 CO 0.08 0.07 0.72 2.30 -0.10 0.00 0.00 174.94 178.01 2jpe n ILE 43 N 0.35 0.00 -2.26 2.92 -5.35 -1.25 -4.49 119.36 109.28 2jpe n ILE 43 Ca -0.10 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.06 2jpe n ILE 43 Cb 0.52 0.73 0.02 0.00 -1.74 0.00 0.00 39.64 39.17 2jpe n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2jpe n ASP 44 N 0.00 5.79 0.00 7.28 3.85 -1.25 -4.53 116.55 127.70 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.71 0.00 0.00 54.79 50.31 2jpe n ASP 44 Cb 0.59 -0.69 0.00 0.00 -1.35 0.00 0.00 41.12 39.67 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 -0.51 0.00 -2.84 0.11 -0.58 -1.26 -4.64 120.64 110.92 2jpe n GLU 45 Ca 0.45 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 57.07 2jpe n GLU 45 Cb 0.50 -0.29 -0.02 0.00 -0.57 0.00 0.00 31.44 31.06 2jpe n GLU 45 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2jpe n LYS 46 N -2.24 1.42 0.00 3.49 -0.00 -1.26 -4.91 118.16 114.65 2jpe n LYS 46 Ca 0.00 -1.40 0.02 0.00 -0.00 0.00 0.00 58.31 56.93 2jpe n LYS 46 Cb 0.09 0.31 0.00 0.00 -0.00 0.00 0.00 35.03 35.43 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 -0.65 2.25 -3.62 -1.58 0.00 -1.26 -4.14 118.16 109.16 2jpe n LYS 47 Ca -0.06 -0.41 -0.03 0.00 -0.00 0.00 0.00 58.31 57.81 2jpe n LYS 47 Cb 0.25 -0.89 -0.05 0.00 -0.00 0.00 0.00 35.03 34.34 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 -0.71 -1.06 0.00 5.58 -0.85 -1.26 -0.12 117.35 118.93 2jpe s TYR 48 Ca 0.03 1.97 0.00 0.00 -0.52 0.00 0.00 57.07 58.55 2jpe s TYR 48 Cb 0.03 0.64 0.00 0.00 0.38 0.00 0.00 41.96 43.00 2jpe s TYR 48 CO 0.08 -0.53 0.00 0.66 -1.52 0.00 0.00 175.55 174.24 2jpe n TYR 49 N 4.73 -0.26 -4.49 -3.49 4.01 0.02 -4.93 117.16 112.76 2jpe n TYR 49 Ca -0.16 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.34 2jpe n TYR 49 Cb 0.54 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 1.98 -0.30 7.72 1.02 -1.26 -1.77 118.68 126.07 2jpe s LEU 50 Ca 0.00 -1.62 -0.07 0.00 0.02 0.00 0.00 54.13 52.46 2jpe s LEU 50 Cb 0.00 -0.11 0.18 0.00 0.02 0.00 0.00 46.19 46.28 2jpe s LEU 50 CO 0.00 -0.88 0.78 -0.36 0.02 0.00 0.00 176.35 175.91 2jpe s PHE 51 N -3.27 -1.16 0.00 0.29 0.08 0.15 -4.17 117.98 109.90 2jpe s PHE 51 Ca 0.27 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2jpe s PHE 51 Cb 0.04 0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.93 2jpe s PHE 51 CO 0.15 -0.63 0.00 0.41 -0.10 0.00 0.00 175.22 175.05 2jpe n GLY 52 N 5.42 -0.26 0.60 4.36 0.00 -1.24 0.59 105.19 114.65 2jpe n GLY 52 Ca -0.04 0.53 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 -2.58 1.61 1.74 -0.93 0.41 116.66 116.91 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 -0.09 -0.02 0.00 -1.02 0.00 0.00 32.46 31.33 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 -1.90 6.69 0.49 0.55 3.04 -1.23 -4.78 114.94 117.81 2jpe s ASN 54 Ca 0.00 0.69 0.28 0.00 0.04 0.00 0.00 52.86 53.87 2jpe s ASN 54 Cb 0.00 -2.55 0.84 0.00 -1.54 0.00 0.00 41.25 38.00 2jpe s ASN 54 CO 0.00 -1.16 1.79 1.55 -3.04 0.00 0.00 177.10 176.24 2jpe h PRO 55 N 9.04 0.00 0.00 0.43 0.13 -1.78 0.38 132.00 140.19 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 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jpe h PRO 55 CO 1.10 0.03 0.00 0.22 -0.23 0.00 0.00 178.00 179.11 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 -0.00 -1.94 -3.16 116.42 112.76 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2jpe h ASP 56 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.10 2jpe h ASP 56 CO 0.00 0.00 -0.87 0.18 -0.00 0.00 0.00 179.24 178.55 2jpe n LEU 57 N -2.36 0.58 -4.96 2.28 4.77 -1.09 -5.07 117.00 111.15 2jpe n LEU 57 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 2jpe n LEU 57 Cb 0.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2jpe n LEU 57 CO 0.12 0.05 0.28 0.00 -1.33 0.00 0.00 177.39 176.50 2jpe n ASP 59 N -2.08 0.69 -1.87 0.00 2.03 -1.26 -4.09 116.55 109.97 2jpe n ASP 59 Ca 0.02 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.61 2jpe n ASP 59 Cb 0.58 0.20 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jpe n PHE 60 N -2.98 -1.91 -3.53 -0.67 3.01 -1.26 -4.97 117.46 105.15 2jpe n PHE 60 Ca -0.23 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.20 2jpe n PHE 60 Cb 1.08 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.50 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 0.45 -0.85 0.36 4.37 -4.23 -1.26 -4.46 115.64 110.03 2jpe s THR 61 Ca 0.00 0.04 0.16 0.00 -1.18 0.00 0.00 61.69 60.72 2jpe s THR 61 Cb 0.00 -0.87 0.14 0.00 1.34 0.00 0.00 72.50 73.11 2jpe s THR 61 CO 0.00 0.01 1.88 0.40 -0.54 0.00 0.00 174.62 176.37 2jpe h ILE 62 N 6.07 1.07 -5.35 2.99 2.04 -0.37 -3.47 117.51 120.49 2jpe h ILE 62 Ca -0.18 -1.09 -0.27 0.00 1.00 0.00 0.00 64.86 64.31 2jpe h ILE 62 Cb 1.12 1.61 0.17 0.00 -0.74 0.00 0.00 36.82 38.99 2jpe h ILE 62 CO 0.15 0.30 -0.76 -0.67 0.00 0.00 0.00 178.15 177.17 2jpe n ASP 63 N -3.97 -4.16 -2.04 1.72 4.64 -1.24 -5.02 116.55 106.48 2jpe n ASP 63 Ca -0.02 -0.62 -0.06 0.00 -1.38 0.00 0.00 54.79 52.71 2jpe n ASP 63 Cb 0.37 -4.87 -0.02 0.00 -1.04 0.00 0.00 41.12 35.56 2jpe n ASP 63 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 2jpe n HIS 64 N -3.53 0.02 -0.01 -0.67 -0.00 -1.26 -5.08 115.22 104.69 2jpe n HIS 64 Ca -0.17 -0.66 -0.01 0.00 0.46 0.00 0.00 57.72 57.34 2jpe n HIS 64 Cb 0.64 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.50 2jpe n HIS 64 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jpe n GLN 65 N -0.23 2.93 0.05 1.57 10.64 -1.26 -4.72 117.38 126.37 2jpe n GLN 65 Ca -0.01 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.96 2jpe n GLN 65 Cb 0.15 -1.03 -0.12 0.00 -0.86 0.00 0.00 30.24 28.39 2jpe n GLN 65 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2jpe h SER 66 N 0.00 0.76 -1.69 2.61 0.02 -1.98 -3.45 113.55 109.82 2jpe h SER 66 Ca -0.03 -0.79 -0.15 0.00 -0.84 0.00 0.00 61.79 59.98 2jpe h SER 66 Cb 1.06 -0.24 0.09 0.00 0.14 0.00 0.00 62.40 63.46 2jpe h SER 66 CO 0.00 1.46 -0.08 0.00 -1.14 0.00 0.00 176.83 177.08 2jpe s SER 68 N -2.11 1.34 0.25 0.00 0.01 -1.26 -4.99 113.70 106.93 2jpe s SER 68 Ca 0.28 -1.46 -0.07 0.00 1.31 0.00 0.00 55.95 56.02 2jpe s SER 68 Cb -0.05 0.26 0.45 0.00 0.21 0.00 0.00 66.02 66.89 2jpe s SER 68 CO 0.24 -0.80 1.63 0.03 0.41 0.00 0.00 173.24 174.75 2jpe h ARG 69 N 2.31 0.08 -2.20 12.44 -0.00 -1.92 -2.33 114.38 122.76 2jpe h ARG 69 Ca -0.36 -0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.55 2jpe h ARG 69 Cb 1.25 -0.02 -0.41 0.00 0.00 0.00 0.00 29.97 30.79 2jpe h ARG 69 CO 0.57 0.05 -0.81 0.28 0.00 0.00 0.00 179.97 180.07 2jpe n VAL 70 N -5.38 2.06 -0.36 2.04 0.31 -1.26 -2.18 118.33 113.55 2jpe n VAL 70 Ca 0.14 -5.26 -0.05 0.00 -0.01 0.00 0.00 64.34 59.16 2jpe n VAL 70 Cb 0.49 -1.10 -0.01 0.00 -0.91 0.00 0.00 33.84 32.30 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 3.05 -1.34 -2.33 3.52 2.76 0.09 -3.43 115.15 117.47 2jpe h HIS 71 Ca 0.12 0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.65 0.72 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 2jpe h HIS 71 CO 0.72 -0.40 0.01 0.00 -1.30 0.00 0.00 177.93 176.96 2jpe n ALA 72 N -3.36 -0.20 -3.31 5.26 0.00 0.20 -2.95 120.51 116.15 2jpe n ALA 72 Ca 0.07 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 2jpe n ALA 72 Cb 0.35 0.24 -0.09 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.56 -1.04 0.29 0.00 0.00 -0.85 0.30 121.76 118.90 2jpe s ALA 73 Ca 0.05 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 52.90 2jpe s ALA 73 Cb -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2jpe s ALA 73 CO 0.04 -0.24 0.49 -1.17 0.00 0.00 0.00 175.76 174.87 2jpe s LEU 74 N -0.51 4.11 -0.20 0.00 0.20 -0.73 -0.67 118.68 120.87 2jpe s LEU 74 Ca -0.06 0.45 -0.08 0.00 0.69 0.00 0.00 54.13 55.12 2jpe s LEU 74 Cb -0.03 -3.27 0.08 0.00 -0.43 0.00 0.00 46.19 42.54 2jpe s LEU 74 CO 0.03 -0.19 0.45 -0.69 -0.29 0.00 0.00 176.35 175.66 2jpe s VAL 75 N -2.12 -0.44 -0.39 1.68 1.01 -0.26 -0.80 120.40 119.06 2jpe s VAL 75 Ca 0.40 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.28 2jpe s VAL 75 Cb -0.10 -0.69 0.01 0.00 0.00 0.00 0.00 36.38 35.60 2jpe s VAL 75 CO 0.32 0.05 0.75 -0.47 0.00 0.00 0.00 175.10 175.75 2jpe s TYR 76 N 2.21 3.08 0.68 5.22 5.04 0.84 0.86 117.35 135.27 2jpe s TYR 76 Ca -0.05 0.36 -0.16 0.00 -2.44 0.00 0.00 57.07 54.78 2jpe s TYR 76 Cb -0.10 -3.43 0.01 0.00 0.35 0.00 0.00 41.96 38.79 2jpe s TYR 76 CO -0.14 -0.80 1.16 -1.58 -1.34 0.00 0.00 175.55 172.85 2jpe s HIS 77 N 3.07 2.34 -0.09 4.97 5.65 0.44 -2.76 115.29 128.92 2jpe s HIS 77 Ca 0.29 1.57 -0.01 0.00 0.25 0.00 0.00 55.06 57.16 2jpe s HIS 77 Cb -0.13 -3.34 -0.06 0.00 -1.18 0.00 0.00 32.58 27.88 2jpe s HIS 77 CO 0.18 -2.14 -0.09 0.36 -0.65 0.00 0.00 174.74 172.40 2jpe n LYS 78 N -2.43 0.22 0.04 2.88 2.85 0.75 -2.94 118.16 119.54 2jpe n LYS 78 Ca 0.12 0.06 0.10 0.00 -1.05 0.00 0.00 58.31 57.55 2jpe n LYS 78 Cb 0.51 -1.09 0.43 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 0.30 -0.01 5.58 8.25 -1.26 -2.97 115.22 122.14 2jpe n HIS 79 Ca -0.17 0.11 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 2jpe n HIS 79 Cb 0.66 -0.67 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.76 0.00 -1.91 2.41 4.77 -1.26 -5.02 117.00 114.22 2jpe n LEU 80 Ca 0.04 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 2jpe n LEU 80 Cb 0.25 0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2jpe n LEU 80 CO 0.20 0.07 0.05 0.29 -1.33 0.00 0.00 177.39 176.66 2jpe n LYS 81 N -2.04 -3.27 -1.31 3.23 4.01 -1.15 -5.01 118.16 112.63 2jpe n LYS 81 Ca -0.05 0.49 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 2jpe n LYS 81 Cb 0.52 -4.46 0.00 0.00 -0.51 0.00 0.00 35.03 30.58 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 -2.69 1.01 -4.41 1.97 1.74 -1.19 -4.93 116.66 108.16 2jpe n ARG 82 Ca -0.04 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.79 2jpe n ARG 82 Cb 0.56 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.90 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 -1.15 2.44 0.05 1.55 1.01 -1.23 0.17 120.40 123.23 2jpe s VAL 83 Ca 0.00 -2.02 -0.08 0.00 0.00 0.00 0.00 61.98 59.87 2jpe s VAL 83 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 2jpe s VAL 83 CO 0.00 -0.17 0.17 -0.36 0.00 0.00 0.00 175.10 174.74 2jpe s PHE 84 N -2.57 0.10 -0.26 5.22 0.40 0.25 0.22 117.98 121.35 2jpe s PHE 84 Ca 0.35 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.31 2jpe s PHE 84 Cb 0.02 -0.06 0.07 0.00 0.51 0.00 0.00 43.02 43.56 2jpe s PHE 84 CO 0.19 -0.43 -0.03 -1.17 0.70 0.00 0.00 175.22 174.48 2jpe s LEU 85 N -2.21 2.80 -0.48 -0.37 2.96 -0.23 -1.11 118.68 120.04 2jpe s LEU 85 Ca -0.03 -1.34 -0.20 0.00 -0.22 0.00 0.00 54.13 52.33 2jpe s LEU 85 Cb -0.00 -1.20 0.04 0.00 0.50 0.00 0.00 46.19 45.53 2jpe s LEU 85 CO -0.05 -0.27 0.65 -0.63 -1.32 0.00 0.00 176.35 174.72 2jpe s ILE 86 N 1.36 4.83 -1.12 6.68 1.01 0.15 -2.26 121.20 131.85 2jpe s ILE 86 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.23 2jpe s ILE 86 Cb -0.19 -4.26 -0.08 0.00 0.01 0.00 0.00 42.46 37.94 2jpe s ILE 86 CO -0.08 -0.72 1.94 -1.81 0.00 0.00 0.00 174.94 174.27 2jpe s ASP 87 N 2.36 5.04 -0.90 3.58 -0.00 -1.25 -2.01 116.67 123.49 2jpe s ASP 87 Ca 0.19 -1.43 -0.23 0.00 -0.00 0.00 0.00 52.55 51.08 2jpe s ASP 87 Cb -0.16 -2.58 -0.19 0.00 -0.00 0.00 0.00 42.92 39.98 2jpe s ASP 87 CO 0.16 -3.02 2.09 0.18 -0.00 0.00 0.00 175.17 174.58 2jpe n LEU 88 N 14.34 1.01 -3.89 1.23 4.77 -1.15 -2.21 117.00 131.10 2jpe n LEU 88 Ca 0.44 -2.04 -0.25 0.00 -0.03 0.00 0.00 56.01 54.12 2jpe n LEU 88 Cb 0.47 -1.56 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 2jpe n LEU 88 CO 0.66 -3.13 -0.33 0.59 -1.33 0.00 0.00 177.39 173.85 2jpe n ASN 89 N 17.66 0.22 -4.67 -1.43 3.02 -1.24 -4.64 115.26 124.18 2jpe n ASN 89 Ca 0.40 -0.97 -0.45 0.00 -0.03 0.00 0.00 54.58 53.53 2jpe n ASN 89 Cb 0.45 -1.20 -0.03 0.00 -0.61 0.00 0.00 39.78 38.39 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 -2.00 2.92 -0.25 6.41 2.88 -1.22 -4.79 113.62 117.57 2jpe n SER 90 Ca -0.23 1.12 0.20 0.00 -1.33 0.00 0.00 58.87 58.64 2jpe n SER 90 Cb 0.51 -1.43 0.38 0.00 -0.75 0.00 0.00 64.21 62.92 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 2.45 -0.32 0.01 2.46 5.66 -1.26 -3.21 114.28 120.08 2jpe n THR 91 Ca 0.13 1.58 -0.02 0.00 -3.05 0.00 0.00 64.05 62.69 2jpe n THR 91 Cb 0.31 -2.48 -0.01 0.00 -1.55 0.00 0.00 70.33 66.60 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 -4.82 0.00 0.00 1.09 8.25 -1.26 -5.07 115.22 113.41 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 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 2.98 1.45 3.48 -1.41 0.00 -1.20 -4.99 105.19 105.51 2jpe n GLY 93 Ca -0.03 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.92 2.63 0.10 2.61 2.01 -1.26 0.16 115.64 119.97 2jpe s THR 94 Ca 0.00 -1.99 0.01 0.00 0.31 0.00 0.00 61.69 60.02 2jpe s THR 94 Cb 0.00 -2.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2jpe s THR 94 CO 0.00 -0.17 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.36 2jpe s PHE 95 N -1.83 0.85 -0.62 4.92 0.40 -0.68 -0.22 117.98 120.80 2jpe s PHE 95 Ca 0.24 -0.98 0.05 0.00 -0.60 0.00 0.00 56.93 55.63 2jpe s PHE 95 Cb -0.08 -0.51 0.33 0.00 0.51 0.00 0.00 43.02 43.28 2jpe s PHE 95 CO 0.12 -0.23 0.99 -0.11 0.70 0.00 0.00 175.22 176.69 2jpe n LEU 96 N -0.04 4.63 0.00 -0.37 7.94 0.13 -1.16 117.00 128.14 2jpe n LEU 96 Ca -0.11 -5.64 0.00 0.00 -1.11 0.00 0.00 56.01 49.15 2jpe n LEU 96 Cb 0.61 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.94 2jpe n LEU 96 CO 0.30 2.30 0.00 0.61 -1.11 0.00 0.00 177.39 179.49 2jpe n GLY 97 N -0.11 2.06 0.07 -3.96 0.00 0.32 -3.68 105.19 99.89 2jpe n GLY 97 Ca 0.32 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.47 1.61 1.44 -1.26 -4.91 115.22 107.63 2jpe n HIS 98 Ca 0.00 -0.10 -0.24 0.00 -2.01 0.00 0.00 57.72 55.37 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 -0.23 2.50 0.08 0.61 1.01 -1.24 -5.15 121.20 118.79 2jpe s ILE 99 Ca 0.01 -2.32 0.09 0.00 0.00 0.00 0.00 60.65 58.43 2jpe s ILE 99 Cb 0.01 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2jpe s ILE 99 CO 0.00 -0.35 -0.23 0.00 0.00 0.00 0.00 174.94 174.36 2jpe s ARG 100 N -3.55 1.37 0.26 2.79 1.04 -1.26 0.20 118.95 119.79 2jpe s ARG 100 Ca 0.31 -1.14 0.10 0.00 -1.04 0.00 0.00 55.73 53.96 2jpe s ARG 100 Cb -0.03 -1.64 -0.04 0.00 -2.04 0.00 0.00 34.95 31.19 2jpe s ARG 100 CO 0.16 0.40 -0.02 -0.51 -0.04 0.00 0.00 175.30 175.29 2jpe s LEU 101 N -1.63 3.15 0.46 -1.89 1.43 0.69 -4.92 118.68 115.98 2jpe s LEU 101 Ca 0.09 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 2jpe s LEU 101 Cb -0.10 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 2jpe s LEU 101 CO 0.04 0.01 0.83 -1.61 0.23 0.00 0.00 176.35 175.85 2jpe s GLU 102 N -3.57 3.71 -0.88 1.70 0.41 -1.25 -4.29 118.70 114.54 2jpe s GLU 102 Ca 0.31 0.49 -0.07 0.00 -0.41 0.00 0.00 54.97 55.29 2jpe s GLU 102 Cb -0.07 -2.32 -0.11 0.00 -1.78 0.00 0.00 34.13 29.86 2jpe s GLU 102 CO 0.19 -0.17 2.58 -0.35 -0.49 0.00 0.00 175.26 177.02 2jpe n PRO 103 N -1.76 2.42 0.00 0.39 -0.04 -1.25 -3.10 135.00 131.66 2jpe n PRO 103 Ca 0.03 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 2jpe n PRO 103 Cb 0.54 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.56 0.00 -2.33 0.54 8.25 -0.94 -3.64 115.22 120.66 2jpe n HIS 104 Ca 0.52 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.55 2jpe n HIS 104 Cb 0.32 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 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 4.33 0.57 -0.41 1.02 -1.18 -4.71 119.74 119.35 2jpe s LYS 105 Ca 0.00 1.84 -0.17 0.00 0.02 0.00 0.00 55.97 57.66 2jpe s LYS 105 Cb 0.00 -3.53 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 2jpe s LYS 105 CO 0.00 -0.49 1.05 -1.25 -0.92 0.00 0.00 175.35 173.74 2jpe s PRO 106 N 2.13 3.47 -0.19 -1.68 0.04 -1.26 -3.75 135.00 133.76 2jpe s PRO 106 Ca 0.60 1.20 -0.01 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 -0.01 -1.14 0.04 0.00 0.00 177.00 175.46 2jpe s GLN 107 N -3.94 1.08 1.00 4.56 2.00 -0.96 -4.88 119.66 118.52 2jpe s GLN 107 Ca 0.64 -0.57 -0.20 0.00 -2.00 0.00 0.00 55.36 53.23 2jpe s GLN 107 Cb -0.15 -2.17 -0.12 0.00 0.80 0.00 0.00 33.01 31.37 2jpe s GLN 107 CO 0.33 -0.57 -0.79 0.00 -0.50 0.00 0.00 175.29 173.77 2jpe n GLN 108 N 4.91 -0.17 -3.61 1.67 10.64 -1.26 -1.07 117.38 128.50 2jpe n GLN 108 Ca -0.10 -0.04 -0.26 0.00 -1.83 0.00 0.00 57.00 54.76 2jpe n GLN 108 Cb 0.47 -1.17 -0.17 0.00 -0.86 0.00 0.00 30.24 28.50 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 -0.07 0.73 -0.39 -1.09 0.59 -4.65 121.20 114.24 2jpe s ILE 109 Ca 0.42 -0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 58.50 2jpe s ILE 109 Cb -0.10 -0.63 0.03 0.00 -1.58 0.00 0.00 42.46 40.18 2jpe s ILE 109 CO 0.75 -0.33 1.07 -2.16 -1.23 0.00 0.00 174.94 173.04 2jpe s PRO 110 N 2.13 2.67 0.48 2.79 0.04 -1.26 -3.50 135.00 138.35 2jpe s PRO 110 Ca 0.03 0.86 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 2jpe s PRO 110 Cb -0.16 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2jpe s PRO 110 CO -0.12 -1.26 1.20 0.42 0.04 0.00 0.00 177.00 177.28 2jpe s ILE 111 N -3.08 2.91 -0.90 0.56 -1.09 -1.26 -1.95 121.20 116.39 2jpe s ILE 111 Ca 0.59 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 2jpe s ILE 111 Cb -0.14 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2jpe s ILE 111 CO 0.55 -0.02 0.00 0.47 -1.23 0.00 0.00 174.94 174.71 2jpe n ASP 112 N -0.64 -5.58 -2.57 3.58 9.92 0.39 -4.94 116.55 116.70 2jpe n ASP 112 Ca 0.08 0.21 -0.03 0.00 -0.53 0.00 0.00 54.79 54.52 2jpe n ASP 112 Cb 0.48 -3.82 0.03 0.00 -0.64 0.00 0.00 41.12 37.17 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2jpe n SER 113 N -1.01 -0.98 -3.67 -2.24 2.88 -0.82 -4.84 113.62 102.95 2jpe n SER 113 Ca -0.08 -0.64 -0.08 0.00 -1.33 0.00 0.00 58.87 56.73 2jpe n SER 113 Cb 0.54 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.25 -0.26 0.13 2.46 2.01 -1.25 -3.44 115.64 114.04 2jpe s THR 114 Ca 0.08 0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.27 2jpe s THR 114 Cb -0.01 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2jpe s THR 114 CO 0.06 0.03 -0.25 0.68 -0.69 0.00 0.00 174.62 174.46 2jpe s VAL 115 N 1.89 2.13 -0.15 3.82 -7.23 0.13 0.12 120.40 121.10 2jpe s VAL 115 Ca -0.07 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2jpe s VAL 115 Cb -0.09 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 35.01 2jpe s VAL 115 CO -0.15 0.02 0.14 -0.94 -0.31 0.00 0.00 175.10 173.86 2jpe s SER 116 N -2.10 1.65 0.69 4.85 1.04 -0.30 -0.33 113.70 119.19 2jpe s SER 116 Ca 0.13 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.17 2jpe s SER 116 Cb -0.10 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2jpe s SER 116 CO 0.06 -0.31 1.09 -0.36 0.98 0.00 0.00 173.24 174.70 2jpe s PHE 117 N 2.22 2.71 0.00 5.02 0.40 -1.26 -1.68 117.98 125.40 2jpe s PHE 117 Ca 0.04 1.53 -0.03 0.00 -0.60 0.00 0.00 56.93 57.88 2jpe s PHE 117 Cb -0.15 -3.08 -0.01 0.00 0.51 0.00 0.00 43.02 40.29 2jpe s PHE 117 CO -0.09 -1.59 1.04 0.78 0.70 0.00 0.00 175.22 176.06 2jpe h GLY 118 N -0.32 -0.19 0.00 4.36 0.00 0.11 -3.35 103.07 103.68 2jpe h GLY 118 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2jpe h GLY 118 CO 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 176.54 177.01 2jpe n ALA 119 N -2.08 -0.00 -0.27 3.60 0.00 -1.26 -4.63 120.51 115.86 2jpe n ALA 119 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 2jpe n ALA 119 Cb 0.04 0.19 0.27 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.90 -3.97 -1.31 0.00 3.41 -1.26 -4.85 113.62 104.74 2jpe n SER 120 Ca 0.00 -0.79 0.04 0.00 -0.26 0.00 0.00 58.87 57.86 2jpe n SER 120 Cb 0.00 -0.98 0.04 0.00 -0.26 0.00 0.00 64.21 63.01 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 -5.64 0.28 -1.52 6.66 -2.24 -1.26 -4.49 114.28 106.07 2jpe n THR 121 Ca 0.12 -1.20 -0.30 0.00 -2.27 0.00 0.00 64.05 60.40 2jpe n THR 121 Cb 0.56 0.81 0.23 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.25 -2.16 -3.18 -0.78 5.12 -1.26 -4.77 116.66 109.88 2jpe n ARG 122 Ca 0.07 -1.92 -0.20 0.00 -1.93 0.00 0.00 57.85 53.87 2jpe n ARG 122 Cb 1.06 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.82 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 -4.33 2.24 -1.50 7.54 0.00 0.46 -4.23 120.51 120.68 2jpe n ALA 123 Ca -0.21 -3.48 -0.56 0.00 0.00 0.00 0.00 53.44 49.19 2jpe n ALA 123 Cb 0.58 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 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 0.47 1.65 -3.48 0.00 4.01 0.55 -3.35 117.16 117.02 2jpe n TYR 124 Ca 0.25 0.51 -0.43 0.00 -0.16 0.00 0.00 57.90 58.07 2jpe n TYR 124 Cb 0.62 -2.44 -0.07 0.00 -0.31 0.00 0.00 39.34 37.14 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 5.63 4.58 -0.31 -0.72 2.01 -0.92 0.19 115.64 126.10 2jpe s THR 125 Ca 1.08 -1.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.96 2jpe s THR 125 Cb -1.10 -3.97 -0.02 0.00 0.01 0.00 0.00 72.50 67.42 2jpe s THR 125 CO 0.60 -0.83 1.78 -0.22 -0.69 0.00 0.00 174.62 175.26 2jpe s LEU 126 N 1.24 3.55 0.00 4.42 1.98 -1.22 -3.26 118.68 125.39 2jpe s LEU 126 Ca 0.07 1.35 0.02 0.00 -2.89 0.00 0.00 54.13 52.68 2jpe s LEU 126 Cb -0.26 -3.53 0.02 0.00 0.66 0.00 0.00 46.19 43.09 2jpe s LEU 126 CO -0.01 -1.65 0.20 -1.14 -1.89 0.00 0.00 176.35 171.86 2jpe n ARG 127 N 8.34 0.88 -3.20 1.98 3.00 -0.98 0.15 116.66 126.83 2jpe n ARG 127 Ca 0.22 -0.75 0.00 0.00 -0.00 0.00 0.00 57.85 57.33 2jpe n ARG 127 Cb 0.46 -0.06 -0.03 0.00 0.00 0.00 0.00 32.46 32.83 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 -2.65 0.51 -0.87 -0.14 2.12 -1.26 -3.97 118.70 112.43 2jpe s GLU 128 Ca 0.15 0.72 -0.24 0.00 0.36 0.00 0.00 54.97 55.96 2jpe s GLU 128 Cb -0.01 0.20 -0.21 0.00 0.26 0.00 0.00 34.13 34.37 2jpe s GLU 128 CO 0.09 -0.76 2.28 1.63 -0.54 0.00 0.00 175.26 177.96 2jpe n LYS 129 N 5.41 0.00 0.00 4.30 5.02 0.18 -4.85 118.16 128.22 2jpe n LYS 129 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jpe n LYS 129 Cb 0.51 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 7.01 0.67 -1.36 1.97 -0.04 -1.26 -4.81 135.00 137.18 2jpe n PRO 130 Ca 0.58 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.69 2jpe n PRO 130 Cb 0.04 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 33.60 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 0.55 0.00 0.54 10.64 -1.26 -5.14 117.38 122.44 2jpe n GLN 131 Ca 0.00 0.25 0.03 0.00 -1.83 0.00 0.00 57.00 55.45 2jpe n GLN 131 Cb 0.00 -2.42 0.03 0.00 -0.86 0.00 0.00 30.24 26.99 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86