#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 3.80 0.12 3.04 0.00 -1.26 -5.15 121.76 122.31 2jpe s ALA 2 Ca 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 51.96 49.83 2jpe s ALA 2 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2jpe s ALA 2 CO 0.00 -0.19 0.32 0.00 0.00 0.00 0.00 175.76 175.89 2jpe s ALA 3 N -2.54 -0.60 -0.48 0.00 0.00 -1.26 -5.08 121.76 111.80 2jpe s ALA 3 Ca 0.44 -0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.11 2jpe s ALA 3 Cb 0.01 0.63 0.16 0.00 0.00 0.00 0.00 23.12 23.91 2jpe s ALA 3 CO 0.25 -0.60 0.35 0.00 0.00 0.00 0.00 175.76 175.76 2jpe s ALA 4 N -3.84 2.07 -0.15 0.00 0.00 -1.26 -5.08 121.76 113.50 2jpe s ALA 4 Ca 0.05 -2.76 -0.24 0.00 0.00 0.00 0.00 51.96 49.00 2jpe s ALA 4 Cb 0.03 -1.78 0.06 0.00 0.00 0.00 0.00 23.12 21.43 2jpe s ALA 4 CO -0.11 -2.03 0.62 0.54 0.00 0.00 0.00 175.76 174.78 2jpe s VAL 5 N -0.18 0.01 -0.05 0.00 0.11 -1.26 -5.09 120.40 113.94 2jpe s VAL 5 Ca 0.27 -0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.22 2jpe s VAL 5 Cb -0.05 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2jpe s VAL 5 CO -0.14 -0.03 -0.10 -3.20 -3.33 0.00 0.00 175.10 168.30 2jpe n ASN 6 N 1.96 0.60 0.01 3.54 5.15 -1.26 -5.00 115.26 120.26 2jpe n ASN 6 Ca -0.16 0.10 -0.00 0.00 -0.60 0.00 0.00 54.58 53.92 2jpe n ASN 6 Cb 0.56 -0.56 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2jpe n ASN 6 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2jpe n SER 7 N -3.10 0.32 0.00 1.20 2.88 -1.26 -5.16 113.62 108.50 2jpe n SER 7 Ca -0.04 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jpe n SER 7 Cb 0.16 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 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 3.40 2.60 2.78 0.46 0.00 -1.26 -4.98 105.19 108.19 2jpe n GLY 8 Ca -0.00 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 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 6.02 -3.55 1.61 3.41 -1.26 -4.96 113.62 114.90 2jpe n SER 9 Ca 0.00 -3.55 -0.12 0.00 -0.26 0.00 0.00 58.87 54.94 2jpe n SER 9 Cb 0.00 -1.04 -0.05 0.00 -0.26 0.00 0.00 64.21 62.86 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 -2.01 -0.46 0.84 4.04 1.04 -1.26 -5.15 113.70 110.74 2jpe s SER 10 Ca 0.37 0.43 -0.17 0.00 0.48 0.00 0.00 55.95 57.07 2jpe s SER 10 Cb 0.14 0.39 -0.11 0.00 0.10 0.00 0.00 66.02 66.54 2jpe s SER 10 CO -0.02 -0.48 -0.31 0.00 0.98 0.00 0.00 173.24 173.41 2jpe n LEU 11 N 0.62 -3.80 0.00 2.42 -0.00 -1.26 -4.97 117.00 110.01 2jpe n LEU 11 Ca -0.13 0.37 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 2jpe n LEU 11 Cb 0.58 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 2jpe n LEU 11 CO 0.18 -5.05 0.00 -0.81 -0.00 0.00 0.00 177.39 171.71 2jpe n PRO 12 N 1.28 0.95 -0.00 1.47 -0.04 -1.26 -5.01 135.00 132.39 2jpe n PRO 12 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2jpe n PRO 12 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.16 -3.56 1.53 -0.00 -1.26 -5.05 117.00 108.82 2jpe n LEU 13 Ca 0.00 -0.19 -0.07 0.00 -0.00 0.00 0.00 56.01 55.75 2jpe n LEU 13 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2jpe n LEU 13 CO 0.00 0.04 0.86 0.12 -0.00 0.00 0.00 177.39 178.41 2jpe s PHE 14 N -2.33 -0.24 -0.24 1.47 5.36 -1.26 -4.92 117.98 115.83 2jpe s PHE 14 Ca -0.01 0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.17 2jpe s PHE 14 Cb 0.06 0.52 0.06 0.00 -0.34 0.00 0.00 43.02 43.32 2jpe s PHE 14 CO 0.37 -0.35 -0.07 0.34 -1.46 0.00 0.00 175.22 174.05 2jpe s ASP 15 N -2.14 3.92 0.27 6.13 3.68 -1.26 -5.10 116.67 122.17 2jpe s ASP 15 Ca 0.06 -1.19 -0.29 0.00 2.13 0.00 0.00 52.55 53.26 2jpe s ASP 15 Cb -0.01 -1.26 -0.10 0.00 -1.45 0.00 0.00 42.92 40.11 2jpe s ASP 15 CO -0.06 -0.22 1.36 0.00 0.13 0.00 0.00 175.17 176.38 2jpe n PRO 17 N 1.73 0.75 0.00 0.00 -0.04 -1.26 -5.01 135.00 131.18 2jpe n PRO 17 Ca 0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2jpe n PRO 17 Cb 0.41 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 1.12 0.52 5.66 -1.26 -4.45 114.28 115.29 2jpe n THR 18 Ca 0.00 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.62 2jpe n THR 18 Cb 0.00 1.04 0.17 0.00 -1.55 0.00 0.00 70.33 69.99 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 0.00 0.00 -2.42 1.09 4.27 -1.26 -4.89 117.44 114.23 2jpe n TRP 19 Ca 0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.20 2jpe n TRP 19 Cb 0.05 -0.04 -0.03 0.00 -1.36 0.00 0.00 31.31 29.93 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 -2.42 3.41 -0.03 -1.67 0.00 -1.26 0.17 121.76 119.97 2jpe s ALA 20 Ca 0.23 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.04 2jpe s ALA 20 Cb 0.19 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2jpe s ALA 20 CO 0.52 -0.50 -0.11 0.20 0.00 0.00 0.00 175.76 175.87 2jpe s GLY 21 N 1.15 0.62 -0.40 0.00 0.00 -0.46 -4.77 107.32 103.46 2jpe s GLY 21 Ca 0.59 -0.42 -0.42 0.00 0.00 0.00 0.00 44.72 44.46 2jpe s GLY 21 CO 0.28 -0.17 1.85 1.17 0.00 0.00 0.00 173.10 176.23 2jpe n LYS 22 N 3.22 0.59 -2.21 2.90 3.00 -1.26 -4.71 118.16 119.68 2jpe n LYS 22 Ca -0.18 0.20 -0.33 0.00 -0.00 0.00 0.00 58.31 58.00 2jpe n LYS 22 Cb 0.54 -1.87 -0.01 0.00 0.00 0.00 0.00 35.03 33.70 2jpe n LYS 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jpe s PRO 23 N 4.29 3.51 0.61 1.64 0.04 -1.26 -5.04 135.00 138.80 2jpe s PRO 23 Ca 1.06 1.22 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 2jpe s PRO 23 Cb -1.25 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2jpe s PRO 23 CO 0.68 -0.66 1.05 -1.25 0.04 0.00 0.00 177.00 176.86 2jpe s PRO 24 N -3.86 3.30 -1.15 0.56 0.04 -1.26 -4.62 135.00 128.01 2jpe s PRO 24 Ca 0.64 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 2jpe s PRO 24 Cb -0.15 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 2jpe s PRO 24 CO 0.32 -0.82 1.99 -0.35 0.04 0.00 0.00 177.00 178.18 2jpe n PRO 25 N -2.23 2.23 -0.83 0.56 -0.04 -1.26 -3.73 135.00 129.70 2jpe n PRO 25 Ca 0.08 -2.44 -0.03 0.00 -0.04 0.00 0.00 63.50 61.07 2jpe n PRO 25 Cb 0.53 -3.28 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 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 4.77 0.02 3.32 0.55 0.00 -1.26 -5.05 105.19 107.54 2jpe n GLY 26 Ca 0.49 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.13 2.36 -0.27 0.99 1.43 -1.24 1.00 118.68 122.82 2jpe s LEU 27 Ca 0.00 -1.14 -0.27 0.00 -1.03 0.00 0.00 54.13 51.69 2jpe s LEU 27 Cb 0.01 -0.38 0.18 0.00 0.03 0.00 0.00 46.19 46.03 2jpe s LEU 27 CO -0.00 -0.41 1.30 -1.38 0.23 0.00 0.00 176.35 176.09 2jpe s HIS 28 N -3.30 -0.14 0.57 0.29 -3.43 -1.25 -3.90 115.29 104.13 2jpe s HIS 28 Ca 0.25 0.28 -0.04 0.00 -0.80 0.00 0.00 55.06 54.75 2jpe s HIS 28 Cb 0.04 0.47 0.12 0.00 -1.43 0.00 0.00 32.58 31.78 2jpe s HIS 28 CO 0.07 -0.10 0.78 1.28 -2.00 0.00 0.00 174.74 174.77 2jpe n LEU 29 N 1.07 0.00 -3.64 5.38 4.77 0.50 -2.32 117.00 122.76 2jpe n LEU 29 Ca -0.06 -1.34 -0.07 0.00 -0.03 0.00 0.00 56.01 54.51 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 -0.95 0.64 -1.81 -1.33 0.00 0.00 177.39 174.00 2jpe s ASP 30 N -4.05 -0.30 0.01 -1.43 1.11 -1.20 -2.32 116.67 108.49 2jpe s ASP 30 Ca 0.49 -0.24 0.01 0.00 0.18 0.00 0.00 52.55 52.99 2jpe s ASP 30 Cb -0.02 0.50 -0.01 0.00 1.07 0.00 0.00 42.92 44.46 2jpe s ASP 30 CO 0.33 -0.87 -0.05 -0.69 1.18 0.00 0.00 175.17 175.07 2jpe s VAL 31 N -3.37 0.37 -0.05 -1.27 1.01 -0.44 -2.67 120.40 113.98 2jpe s VAL 31 Ca 0.08 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2jpe s VAL 31 Cb -0.02 -0.35 0.04 0.00 0.00 0.00 0.00 36.38 36.05 2jpe s VAL 31 CO -0.03 -0.01 0.09 -0.69 0.00 0.00 0.00 175.10 174.46 2jpe s VAL 32 N -0.38 -0.12 -1.33 2.92 1.01 -1.25 0.13 120.40 121.38 2jpe s VAL 32 Ca -0.01 0.31 0.19 0.00 0.00 0.00 0.00 61.98 62.47 2jpe s VAL 32 Cb -0.03 -0.18 0.29 0.00 0.00 0.00 0.00 36.38 36.46 2jpe s VAL 32 CO -0.00 0.13 1.59 2.29 0.00 0.00 0.00 175.10 179.11 2jpe n LYS 33 N 4.78 0.21 0.00 2.72 2.85 -1.05 0.13 118.16 127.80 2jpe n LYS 33 Ca -0.15 0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2jpe n LYS 33 Cb 0.50 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.38 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 0.36 -0.87 0.40 2.58 0.00 -1.26 -4.81 105.19 101.58 2jpe n GLY 34 Ca 0.08 0.40 0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 0.43 -3.70 1.61 10.43 -1.26 -4.96 116.55 119.10 2jpe n ASP 35 Ca 0.00 -2.14 -0.20 0.00 2.57 0.00 0.00 54.79 55.02 2jpe n ASP 35 Cb 0.00 -0.23 -0.18 0.00 1.84 0.00 0.00 41.12 42.55 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 2jpe s LYS 36 N -0.51 0.08 0.00 -1.24 2.20 -1.26 -5.11 119.74 113.91 2jpe s LYS 36 Ca 0.06 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2jpe s LYS 36 Cb 0.05 -0.59 -0.08 0.00 -1.51 0.00 0.00 37.83 35.70 2jpe s LYS 36 CO 0.01 -0.30 1.92 -1.17 -0.36 0.00 0.00 175.35 175.44 2jpe s LEU 37 N 2.00 4.36 -0.03 5.43 1.98 -1.26 -2.52 118.68 128.64 2jpe s LEU 37 Ca 0.03 2.54 -0.01 0.00 -2.89 0.00 0.00 54.13 53.81 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 -0.03 -1.08 -0.01 0.40 -1.89 0.00 0.00 176.35 173.74 2jpe h ILE 38 N 5.71 0.00 -4.91 6.68 1.08 -0.67 -3.48 117.51 121.91 2jpe h ILE 38 Ca -0.47 -0.29 -0.52 0.00 -0.39 0.00 0.00 64.86 63.19 2jpe h ILE 38 Cb 1.23 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.85 2jpe h ILE 38 CO 0.94 0.00 -0.47 -1.84 -0.69 0.00 0.00 178.15 176.09 2jpe n GLU 39 N -2.83 0.47 -4.10 2.37 0.28 -1.23 -5.00 120.64 110.59 2jpe n GLU 39 Ca -0.00 -3.43 -0.13 0.00 -0.16 0.00 0.00 57.16 53.43 2jpe n GLU 39 Cb 0.02 2.45 -0.11 0.00 1.43 0.00 0.00 31.44 35.23 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 -3.45 0.64 0.17 3.44 2.20 -1.26 -1.32 119.74 120.15 2jpe s LYS 40 Ca 0.33 -0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 55.00 2jpe s LYS 40 Cb 0.02 -0.35 -0.04 0.00 -1.51 0.00 0.00 37.83 35.95 2jpe s LYS 40 CO 0.23 0.05 0.12 -0.51 -0.36 0.00 0.00 175.35 174.89 2jpe s LEU 41 N -1.94 1.40 0.06 5.43 1.43 -0.98 -4.92 118.68 119.17 2jpe s LEU 41 Ca -0.04 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 51.88 2jpe s LEU 41 Cb -0.07 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.58 2jpe s LEU 41 CO -0.00 -0.80 -0.08 -0.63 0.23 0.00 0.00 176.35 175.07 2jpe s ILE 42 N -4.08 3.53 -0.00 -0.59 1.09 -1.26 0.19 121.20 120.08 2jpe s ILE 42 Ca 0.29 -1.04 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 2jpe s ILE 42 Cb 0.07 -2.61 0.00 0.00 -1.06 0.00 0.00 42.46 38.86 2jpe s ILE 42 CO 0.06 0.23 0.74 2.30 -0.10 0.00 0.00 174.94 178.17 2jpe n ILE 43 N 1.05 0.00 -2.45 2.92 -6.64 -1.26 -4.58 119.36 108.41 2jpe n ILE 43 Ca -0.14 -0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.48 2jpe n ILE 43 Cb 0.52 0.76 0.01 0.00 -1.44 0.00 0.00 39.64 39.49 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 6.34 0.00 7.28 5.68 -1.25 -4.44 116.55 130.15 2jpe n ASP 44 Ca 0.00 -3.74 0.00 0.00 -0.50 0.00 0.00 54.79 50.55 2jpe n ASP 44 Cb 0.60 -0.88 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 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 -0.32 0.00 -2.87 0.11 1.02 -1.26 -4.61 120.64 112.70 2jpe n GLU 45 Ca 0.44 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.45 2jpe n GLU 45 Cb 0.35 -0.16 -0.02 0.00 -0.02 0.00 0.00 31.44 31.60 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 -2.16 1.30 0.00 3.49 -0.00 -1.26 -4.82 118.16 114.72 2jpe n LYS 46 Ca 0.00 -1.58 0.02 0.00 -0.00 0.00 0.00 58.31 56.75 2jpe n LYS 46 Cb 0.00 0.31 0.00 0.00 -0.00 0.00 0.00 35.03 35.34 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 -0.81 1.99 -3.63 -1.58 -0.00 -1.26 -3.99 118.16 108.89 2jpe n LYS 47 Ca -0.05 -0.47 -0.04 0.00 -0.00 0.00 0.00 58.31 57.74 2jpe n LYS 47 Cb 0.28 -0.93 -0.06 0.00 -0.00 0.00 0.00 35.03 34.32 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 -0.77 -1.07 0.00 5.58 -0.85 -1.26 0.25 117.35 119.23 2jpe s TYR 48 Ca 0.04 2.02 0.00 0.00 -0.52 0.00 0.00 57.07 58.61 2jpe s TYR 48 Cb 0.04 0.64 0.00 0.00 0.38 0.00 0.00 41.96 43.01 2jpe s TYR 48 CO 0.10 -0.53 0.00 0.66 -1.52 0.00 0.00 175.55 174.26 2jpe n TYR 49 N 4.62 0.00 -4.42 -3.49 4.01 0.65 -4.94 117.16 113.59 2jpe n TYR 49 Ca -0.17 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.36 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 1.90 -0.30 7.72 1.02 -1.26 -2.03 118.68 125.73 2jpe s LEU 50 Ca 0.00 -1.52 -0.04 0.00 0.02 0.00 0.00 54.13 52.59 2jpe s LEU 50 Cb 0.00 -0.07 0.19 0.00 0.02 0.00 0.00 46.19 46.32 2jpe s LEU 50 CO 0.00 -0.81 0.75 -0.36 0.02 0.00 0.00 176.35 175.95 2jpe s PHE 51 N -3.42 -1.29 0.00 0.29 0.08 0.15 -4.09 117.98 109.70 2jpe s PHE 51 Ca 0.32 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.61 2jpe s PHE 51 Cb 0.06 0.40 0.00 0.00 -0.57 0.00 0.00 43.02 42.91 2jpe s PHE 51 CO 0.15 -0.71 0.00 0.41 -0.10 0.00 0.00 175.22 174.97 2jpe n GLY 52 N 5.42 -0.16 0.42 4.36 0.00 -1.24 0.61 105.19 114.60 2jpe n GLY 52 Ca -0.01 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.65 1.61 1.74 -0.92 0.17 116.66 116.61 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 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.53 6.68 0.48 0.55 2.47 -1.22 -4.78 114.94 117.59 2jpe s ASN 54 Ca 0.00 0.54 0.28 0.00 0.42 0.00 0.00 52.86 54.10 2jpe s ASN 54 Cb 0.00 -2.53 0.84 0.00 -1.45 0.00 0.00 41.25 38.11 2jpe s ASN 54 CO 0.00 -1.13 1.79 1.55 -3.72 0.00 0.00 177.10 175.59 2jpe h PRO 55 N 8.94 0.00 0.00 0.43 0.13 -1.78 0.36 132.00 140.07 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 1.09 0.03 0.03 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 -0.00 -1.94 -3.13 116.42 112.79 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 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.11 2jpe h ASP 56 CO 0.00 0.00 -0.85 0.18 -0.00 0.00 0.00 179.24 178.57 2jpe n LEU 57 N -2.52 0.77 -4.95 2.28 4.77 -1.10 -5.07 117.00 111.18 2jpe n LEU 57 Ca -0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 2jpe n LEU 57 Cb 0.08 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2jpe n LEU 57 CO 0.13 0.08 0.32 0.00 -1.33 0.00 0.00 177.39 176.58 2jpe n ASP 59 N -2.15 0.84 -1.88 0.00 -0.08 -1.26 -4.10 116.55 107.92 2jpe n ASP 59 Ca 0.02 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 2jpe n ASP 59 Cb 0.58 0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.15 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 -3.03 -1.88 -3.66 -0.67 3.01 -1.26 -4.97 117.46 105.01 2jpe n PHE 60 Ca -0.24 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.16 2jpe n PHE 60 Cb 1.08 0.00 -0.08 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 0.41 -0.71 0.30 4.37 -4.23 -1.26 -4.46 115.64 110.07 2jpe s THR 61 Ca 0.00 0.10 0.08 0.00 -1.18 0.00 0.00 61.69 60.69 2jpe s THR 61 Cb 0.00 -0.79 0.03 0.00 1.34 0.00 0.00 72.50 73.08 2jpe s THR 61 CO 0.00 0.04 1.70 0.40 -0.54 0.00 0.00 174.62 176.22 2jpe h ILE 62 N 6.02 1.32 -5.22 2.99 2.04 -0.59 -3.47 117.51 120.60 2jpe h ILE 62 Ca -0.18 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.09 2jpe h ILE 62 Cb 1.12 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2jpe h ILE 62 CO 0.12 0.47 -0.01 -0.67 0.00 0.00 0.00 178.15 178.06 2jpe n ASP 63 N -4.00 -7.41 -0.18 1.72 4.64 -1.24 -5.01 116.55 105.06 2jpe n ASP 63 Ca -0.02 -0.07 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 2jpe n ASP 63 Cb 0.49 -5.04 0.00 0.00 -1.04 0.00 0.00 41.12 35.54 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 -1.74 -0.05 0.00 -0.67 -0.00 -1.26 -5.04 115.22 106.46 2jpe n HIS 64 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jpe n HIS 64 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 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 0.00 1.03 0.09 1.57 10.64 -1.26 -4.76 117.38 124.69 2jpe n GLN 65 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 2jpe n GLN 65 Cb 0.00 -0.96 -0.13 0.00 -0.86 0.00 0.00 30.24 28.29 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 0.83 -1.84 2.61 0.02 -1.98 -3.46 113.55 109.72 2jpe h SER 66 Ca 0.00 -0.84 -0.49 0.00 -0.84 0.00 0.00 61.79 59.63 2jpe h SER 66 Cb 0.92 -0.26 0.24 0.00 0.14 0.00 0.00 62.40 63.44 2jpe h SER 66 CO 0.00 1.58 -1.80 0.00 -1.14 0.00 0.00 176.83 175.47 2jpe s SER 68 N -1.43 2.41 0.21 0.00 0.01 -1.26 -4.98 113.70 108.68 2jpe s SER 68 Ca 0.46 -1.09 -0.06 0.00 1.31 0.00 0.00 55.95 56.57 2jpe s SER 68 Cb -0.04 -0.11 0.36 0.00 0.21 0.00 0.00 66.02 66.44 2jpe s SER 68 CO 0.68 -0.28 1.19 0.54 0.41 0.00 0.00 173.24 175.78 2jpe n ARG 69 N -0.41 -0.07 -3.21 12.44 3.00 -1.26 -1.11 116.66 126.05 2jpe n ARG 69 Ca -0.07 1.19 -0.25 0.00 -0.01 0.00 0.00 57.85 58.71 2jpe n ARG 69 Cb 0.62 -1.78 -0.06 0.00 0.00 0.00 0.00 32.46 31.23 2jpe n ARG 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jpe n VAL 70 N -5.24 1.45 -0.27 1.55 0.31 -1.26 -2.17 118.33 112.70 2jpe n VAL 70 Ca 0.12 -4.94 0.06 0.00 -0.01 0.00 0.00 64.34 59.57 2jpe n VAL 70 Cb 0.39 -1.58 0.16 0.00 -0.91 0.00 0.00 33.84 31.90 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 3.63 -0.08 -2.16 3.52 2.76 0.92 -3.43 115.15 120.31 2jpe h HIS 71 Ca 0.14 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.72 0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.84 2jpe h HIS 71 CO 0.63 -0.27 0.09 0.00 -1.30 0.00 0.00 177.93 177.08 2jpe n ALA 72 N -2.99 -0.49 -3.31 5.26 0.00 0.20 -2.99 120.51 116.19 2jpe n ALA 72 Ca 0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 2jpe n ALA 72 Cb 0.49 0.23 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.27 -1.02 0.19 0.00 0.00 -0.86 0.34 121.76 119.14 2jpe s ALA 73 Ca 0.04 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2jpe s ALA 73 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2jpe s ALA 73 CO 0.03 -0.26 0.36 -1.17 0.00 0.00 0.00 175.76 174.72 2jpe s LEU 74 N -0.77 4.26 -0.18 0.00 0.20 -0.86 -0.66 118.68 120.67 2jpe s LEU 74 Ca -0.09 0.33 -0.06 0.00 0.69 0.00 0.00 54.13 55.00 2jpe s LEU 74 Cb -0.04 -3.09 0.08 0.00 -0.43 0.00 0.00 46.19 42.72 2jpe s LEU 74 CO 0.04 -0.02 0.36 -0.69 -0.29 0.00 0.00 176.35 175.74 2jpe s VAL 75 N -1.85 -0.56 -0.58 1.68 1.01 -0.30 -0.26 120.40 119.55 2jpe s VAL 75 Ca 0.37 0.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.29 2jpe s VAL 75 Cb -0.11 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.72 2jpe s VAL 75 CO 0.29 0.07 1.02 -0.47 0.00 0.00 0.00 175.10 176.01 2jpe s TYR 76 N 2.53 2.70 0.70 5.22 6.14 0.14 0.31 117.35 135.09 2jpe s TYR 76 Ca 0.01 0.02 -0.16 0.00 0.64 0.00 0.00 57.07 57.57 2jpe s TYR 76 Cb -0.12 -4.23 -0.00 0.00 0.42 0.00 0.00 41.96 38.03 2jpe s TYR 76 CO -0.11 -1.48 1.03 1.58 0.64 0.00 0.00 175.55 177.20 2jpe n HIS 77 N 7.83 0.92 -0.06 4.97 -0.00 0.40 -1.35 115.22 127.94 2jpe n HIS 77 Ca 0.03 0.41 -0.09 0.00 -0.00 0.00 0.00 57.72 58.06 2jpe n HIS 77 Cb 0.48 -2.12 -0.05 0.00 -0.00 0.00 0.00 29.99 28.30 2jpe n HIS 77 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2jpe n LYS 78 N -1.81 0.26 0.11 1.57 2.85 0.45 -2.88 118.16 118.71 2jpe n LYS 78 Ca 0.14 0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.59 2jpe n LYS 78 Cb 0.49 -1.10 0.47 0.00 -0.65 0.00 0.00 35.03 34.24 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 -3.08 0.74 -0.02 5.58 8.25 -1.25 -2.79 115.22 122.64 2jpe n HIS 79 Ca -0.20 0.28 -0.01 0.00 -0.26 0.00 0.00 57.72 57.52 2jpe n HIS 79 Cb 0.69 -0.95 -0.05 0.00 1.12 0.00 0.00 29.99 30.79 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 -2.16 0.00 -1.90 2.41 4.77 -1.26 -5.02 117.00 113.84 2jpe n LEU 80 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.88 2jpe n LEU 80 Cb 0.25 0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2jpe n LEU 80 CO 0.20 0.11 0.03 0.29 -1.33 0.00 0.00 177.39 176.70 2jpe n LYS 81 N -2.10 -3.15 -1.30 3.23 4.01 -1.12 -5.01 118.16 112.72 2jpe n LYS 81 Ca -0.08 0.50 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2jpe n LYS 81 Cb 0.56 -4.52 0.00 0.00 -0.51 0.00 0.00 35.03 30.56 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 1.18 -4.45 1.97 1.74 -1.16 -4.93 116.66 108.30 2jpe n ARG 82 Ca -0.05 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 2jpe n ARG 82 Cb 0.56 0.00 -0.10 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 -1.06 2.52 0.06 1.55 1.01 -1.24 0.15 120.40 123.39 2jpe s VAL 83 Ca 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 61.98 59.71 2jpe s VAL 83 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2jpe s VAL 83 CO 0.00 -0.29 0.13 -0.36 0.00 0.00 0.00 175.10 174.58 2jpe s PHE 84 N -2.53 0.22 -0.21 5.22 0.40 0.15 0.26 117.98 121.48 2jpe s PHE 84 Ca 0.32 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 2jpe s PHE 84 Cb -0.02 -0.14 0.06 0.00 0.51 0.00 0.00 43.02 43.44 2jpe s PHE 84 CO 0.17 -0.45 -0.02 -1.17 0.70 0.00 0.00 175.22 174.45 2jpe s LEU 85 N -2.56 1.90 -0.47 -0.37 2.96 -0.64 -1.15 118.68 118.35 2jpe s LEU 85 Ca 0.01 -0.97 -0.18 0.00 -0.22 0.00 0.00 54.13 52.77 2jpe s LEU 85 Cb 0.03 -0.91 0.04 0.00 0.50 0.00 0.00 46.19 45.85 2jpe s LEU 85 CO -0.08 -0.26 0.53 -0.63 -1.32 0.00 0.00 176.35 174.59 2jpe s ILE 86 N 1.61 5.00 -0.94 6.68 1.01 0.17 -2.56 121.20 132.17 2jpe s ILE 86 Ca -0.03 -0.48 -0.24 0.00 0.00 0.00 0.00 60.65 59.91 2jpe s ILE 86 Cb -0.18 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 37.97 2jpe s ILE 86 CO -0.07 -0.62 1.92 0.47 0.00 0.00 0.00 174.94 176.64 2jpe n ASP 87 N 5.83 2.53 -4.41 3.58 9.92 -1.24 -2.03 116.55 130.73 2jpe n ASP 87 Ca -0.07 -2.65 -0.12 0.00 -0.53 0.00 0.00 54.79 51.41 2jpe n ASP 87 Cb 0.46 -1.44 -0.10 0.00 -0.64 0.00 0.00 41.12 39.40 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 12.45 -0.10 -3.87 0.64 4.77 -1.16 -2.74 117.00 126.99 2jpe n LEU 88 Ca 0.46 -1.50 -0.24 0.00 -0.03 0.00 0.00 56.01 54.71 2jpe n LEU 88 Cb 0.44 -1.13 -0.07 0.00 -2.33 0.00 0.00 43.42 40.33 2jpe n LEU 88 CO 0.83 -2.35 -0.35 0.59 -1.33 0.00 0.00 177.39 174.77 2jpe n ASN 89 N 12.20 0.66 -4.67 -1.43 3.02 -1.24 -4.59 115.26 119.20 2jpe n ASN 89 Ca 0.39 -0.96 -0.45 0.00 -0.03 0.00 0.00 54.58 53.52 2jpe n ASN 89 Cb 0.39 -1.19 -0.03 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.08 2.79 -0.31 6.41 2.88 -1.11 -4.80 113.62 117.40 2jpe n SER 90 Ca -0.24 1.13 0.25 0.00 -1.33 0.00 0.00 58.87 58.69 2jpe n SER 90 Cb 0.52 -1.43 0.47 0.00 -0.75 0.00 0.00 64.21 63.02 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 2.11 -0.39 -0.03 2.46 5.66 -1.26 -3.08 114.28 119.75 2jpe n THR 91 Ca 0.12 1.96 -0.07 0.00 -3.05 0.00 0.00 64.05 63.01 2jpe n THR 91 Cb 0.31 -3.08 -0.02 0.00 -1.55 0.00 0.00 70.33 65.99 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 -5.21 0.00 -0.09 1.09 8.25 -1.26 -5.10 115.22 112.90 2jpe n HIS 92 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2jpe n HIS 92 Cb 1.06 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.92 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 2.61 0.33 3.35 -1.41 0.00 -1.18 -4.97 105.19 103.92 2jpe n GLY 93 Ca -0.13 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.31 1.86 0.09 2.61 2.01 -1.26 0.37 115.64 120.01 2jpe s THR 94 Ca 0.00 -2.02 0.01 0.00 0.31 0.00 0.00 61.69 59.99 2jpe s THR 94 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 2jpe s THR 94 CO 0.00 -0.38 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.13 2jpe s PHE 95 N -2.29 0.84 -0.59 4.92 0.40 -0.65 -0.25 117.98 120.36 2jpe s PHE 95 Ca 0.18 -0.94 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 2jpe s PHE 95 Cb -0.05 -0.50 0.42 0.00 0.51 0.00 0.00 43.02 43.40 2jpe s PHE 95 CO 0.07 -0.19 1.66 -0.11 0.70 0.00 0.00 175.22 177.36 2jpe n LEU 96 N -0.02 6.44 0.00 -0.37 7.94 0.22 -1.43 117.00 129.77 2jpe n LEU 96 Ca -0.12 -4.75 0.00 0.00 -1.11 0.00 0.00 56.01 50.03 2jpe n LEU 96 Cb 0.61 -0.76 0.00 0.00 0.53 0.00 0.00 43.42 43.80 2jpe n LEU 96 CO 0.30 1.85 0.00 0.61 -1.11 0.00 0.00 177.39 179.04 2jpe n GLY 97 N -0.67 2.33 0.00 -3.96 0.00 0.14 -4.03 105.19 99.00 2jpe n GLY 97 Ca 0.51 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.39 1.61 1.44 -1.26 -4.89 115.22 107.73 2jpe n HIS 98 Ca 0.00 -0.09 -0.20 0.00 -2.01 0.00 0.00 57.72 55.43 2jpe n HIS 98 Cb 0.00 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.00 2jpe n HIS 98 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jpe s ILE 99 N -0.17 1.60 0.11 0.61 1.01 -1.26 -5.16 121.20 117.94 2jpe s ILE 99 Ca 0.00 -2.14 0.10 0.00 0.00 0.00 0.00 60.65 58.61 2jpe s ILE 99 Cb 0.00 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2jpe s ILE 99 CO 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 174.94 174.29 2jpe s ARG 100 N -3.72 1.39 0.25 2.79 1.04 -1.26 0.72 118.95 120.16 2jpe s ARG 100 Ca 0.27 -1.24 0.10 0.00 -1.04 0.00 0.00 55.73 53.81 2jpe s ARG 100 Cb 0.02 -1.76 -0.04 0.00 -2.04 0.00 0.00 34.95 31.13 2jpe s ARG 100 CO 0.10 0.42 -0.06 -0.51 -0.04 0.00 0.00 175.30 175.21 2jpe s LEU 101 N -1.85 3.04 0.45 -1.89 1.43 0.65 -4.89 118.68 115.63 2jpe s LEU 101 Ca 0.11 -0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 52.39 2jpe s LEU 101 Cb -0.10 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 2jpe s LEU 101 CO 0.05 0.03 0.85 -1.61 0.23 0.00 0.00 176.35 175.90 2jpe s GLU 102 N -3.47 3.83 -0.95 1.70 0.41 -1.25 -4.30 118.70 114.68 2jpe s GLU 102 Ca 0.30 0.64 -0.07 0.00 -0.41 0.00 0.00 54.97 55.43 2jpe s GLU 102 Cb -0.07 -2.29 -0.10 0.00 -1.78 0.00 0.00 34.13 29.89 2jpe s GLU 102 CO 0.18 -0.14 2.56 -0.35 -0.49 0.00 0.00 175.26 177.03 2jpe n PRO 103 N -1.45 2.50 0.00 0.39 -0.04 -1.26 -3.06 135.00 132.08 2jpe n PRO 103 Ca 0.04 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2jpe n PRO 103 Cb 0.54 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 3.64 0.00 -2.41 0.54 8.25 -1.18 -3.72 115.22 120.33 2jpe n HIS 104 Ca 0.53 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.57 2jpe n HIS 104 Cb 0.29 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 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 4.35 0.49 -0.41 1.02 -1.17 -4.78 119.74 119.23 2jpe s LYS 105 Ca 0.00 1.74 -0.20 0.00 0.02 0.00 0.00 55.97 57.53 2jpe s LYS 105 Cb 0.00 -3.54 -0.08 0.00 -0.52 0.00 0.00 37.83 33.69 2jpe s LYS 105 CO 0.00 -0.45 1.04 -1.25 -0.92 0.00 0.00 175.35 173.76 2jpe s PRO 106 N 2.14 3.80 -0.21 -1.68 0.04 -1.26 -3.77 135.00 134.07 2jpe s PRO 106 Ca 0.58 1.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 2jpe s PRO 106 Cb -0.26 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.24 2jpe s PRO 106 CO 0.23 -0.43 -0.04 -1.14 0.04 0.00 0.00 177.00 175.67 2jpe s GLN 107 N -3.23 1.44 1.00 4.56 2.00 -1.06 -4.89 119.66 119.49 2jpe s GLN 107 Ca 0.67 -0.77 -0.19 0.00 -2.00 0.00 0.00 55.36 53.07 2jpe s GLN 107 Cb -0.16 -2.35 -0.12 0.00 0.80 0.00 0.00 33.01 31.17 2jpe s GLN 107 CO 0.20 -0.55 -0.81 0.00 -0.50 0.00 0.00 175.29 173.63 2jpe n GLN 108 N 4.79 -0.13 -3.63 1.67 10.64 -1.26 -1.61 117.38 127.85 2jpe n GLN 108 Ca -0.12 -0.03 -0.26 0.00 -1.83 0.00 0.00 57.00 54.76 2jpe n GLN 108 Cb 0.46 -1.15 -0.17 0.00 -0.86 0.00 0.00 30.24 28.52 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 -2.06 0.01 0.73 -0.39 -1.09 0.72 -4.69 121.20 114.43 2jpe s ILE 109 Ca 0.42 -0.25 -0.11 0.00 -2.23 0.00 0.00 60.65 58.48 2jpe s ILE 109 Cb -0.11 -0.67 0.03 0.00 -1.58 0.00 0.00 42.46 40.14 2jpe s ILE 109 CO 0.76 -0.29 1.07 -2.16 -1.23 0.00 0.00 174.94 173.09 2jpe s PRO 110 N 2.09 2.64 0.51 2.79 0.04 -1.26 -3.59 135.00 138.22 2jpe s PRO 110 Ca 0.02 0.84 -0.21 0.00 0.04 0.00 0.00 61.00 61.69 2jpe s PRO 110 Cb -0.16 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2jpe s PRO 110 CO -0.10 -1.28 1.17 0.42 0.04 0.00 0.00 177.00 177.25 2jpe s ILE 111 N -3.08 3.01 -1.29 0.56 -1.09 -1.26 -2.11 121.20 115.94 2jpe s ILE 111 Ca 0.59 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.71 2jpe s ILE 111 Cb -0.14 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2jpe s ILE 111 CO 0.55 -0.07 0.00 -0.67 -1.23 0.00 0.00 174.94 173.52 2jpe n ASP 112 N -0.90 -5.60 -2.55 3.58 -0.08 0.37 -4.94 116.55 106.43 2jpe n ASP 112 Ca 0.10 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 2jpe n ASP 112 Cb 0.49 -4.23 0.00 0.00 2.34 0.00 0.00 41.12 39.72 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jpe n SER 113 N -1.16 -0.39 -3.68 1.67 2.88 -0.90 -4.84 113.62 107.21 2jpe n SER 113 Ca -0.12 -0.53 -0.12 0.00 -1.33 0.00 0.00 58.87 56.77 2jpe n SER 113 Cb 0.60 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 2jpe n SER 113 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jpe s THR 114 N -0.72 -0.00 0.06 2.46 2.01 -1.25 -3.37 115.64 114.82 2jpe s THR 114 Ca 0.00 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.06 2jpe s THR 114 Cb 0.00 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 2jpe s THR 114 CO 0.00 0.01 -0.13 0.68 -0.69 0.00 0.00 174.62 174.48 2jpe s VAL 115 N 0.66 1.03 -0.18 3.82 -7.23 0.14 0.26 120.40 118.91 2jpe s VAL 115 Ca -0.03 -1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 2jpe s VAL 115 Cb -0.05 -0.99 0.06 0.00 0.56 0.00 0.00 36.38 35.96 2jpe s VAL 115 CO -0.04 -0.18 0.06 -0.94 -0.31 0.00 0.00 175.10 173.69 2jpe s SER 116 N -1.55 2.55 0.99 4.85 1.04 -0.52 -0.39 113.70 120.68 2jpe s SER 116 Ca -0.02 -0.68 -0.13 0.00 0.48 0.00 0.00 55.95 55.60 2jpe s SER 116 Cb -0.09 -0.40 0.19 0.00 0.10 0.00 0.00 66.02 65.81 2jpe s SER 116 CO 0.02 -0.33 1.11 -0.36 0.98 0.00 0.00 173.24 174.66 2jpe s PHE 117 N 2.01 2.10 0.00 5.02 0.40 -1.23 -1.63 117.98 124.65 2jpe s PHE 117 Ca 0.01 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 2jpe s PHE 117 Cb -0.16 -3.32 0.00 0.00 0.51 0.00 0.00 43.02 40.04 2jpe s PHE 117 CO -0.08 -2.85 0.60 0.41 0.70 0.00 0.00 175.22 174.00 2jpe n GLY 118 N -1.41 -2.63 0.00 4.36 0.00 0.16 -4.31 105.19 101.36 2jpe n GLY 118 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.88 0.00 -1.76 4.61 0.00 -1.26 -4.49 120.51 116.72 2jpe n ALA 119 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2jpe n ALA 119 Cb 0.00 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.50 3.30 -1.27 0.00 3.41 -1.26 -4.90 113.62 112.40 2jpe n SER 120 Ca 0.00 1.11 0.10 0.00 -0.26 0.00 0.00 58.87 59.82 2jpe n SER 120 Cb 0.00 -1.61 0.30 0.00 -0.26 0.00 0.00 64.21 62.64 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 -0.27 1.19 -0.52 6.66 -2.24 -1.26 -3.56 114.28 114.27 2jpe n THR 121 Ca 0.06 -1.06 -0.17 0.00 -2.27 0.00 0.00 64.05 60.61 2jpe n THR 121 Cb 0.42 0.41 0.14 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.31 -2.27 -3.09 -0.78 5.12 -1.26 -4.85 116.66 110.83 2jpe n ARG 122 Ca 0.22 -0.67 -0.19 0.00 -1.93 0.00 0.00 57.85 55.28 2jpe n ARG 122 Cb 0.65 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 30.47 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 -4.37 2.59 -1.39 7.54 0.00 0.34 -4.26 120.51 120.96 2jpe n ALA 123 Ca 0.06 -3.60 -0.59 0.00 0.00 0.00 0.00 53.44 49.32 2jpe n ALA 123 Cb 0.32 -0.89 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 0.16 1.41 -3.47 0.00 4.01 0.47 -3.89 117.16 115.85 2jpe n TYR 124 Ca 0.25 0.68 -0.43 0.00 -0.16 0.00 0.00 57.90 58.24 2jpe n TYR 124 Cb 0.63 -2.35 -0.08 0.00 -0.31 0.00 0.00 39.34 37.22 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 5.74 4.87 -0.40 -0.72 2.01 -1.09 0.25 115.64 126.30 2jpe s THR 125 Ca 1.14 -1.18 -0.28 0.00 0.31 0.00 0.00 61.69 61.68 2jpe s THR 125 Cb -1.32 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 67.26 2jpe s THR 125 CO 0.64 -0.55 1.61 -0.22 -0.69 0.00 0.00 174.62 175.41 2jpe s LEU 126 N 1.56 3.52 0.00 4.42 1.98 -1.22 -3.22 118.68 125.73 2jpe s LEU 126 Ca 0.04 0.95 0.03 0.00 -2.89 0.00 0.00 54.13 52.26 2jpe s LEU 126 Cb -0.24 -3.42 0.06 0.00 0.66 0.00 0.00 46.19 43.25 2jpe s LEU 126 CO 0.05 -1.64 0.44 -1.14 -1.89 0.00 0.00 176.35 172.17 2jpe n ARG 127 N 8.35 0.63 -3.20 1.98 3.00 -0.98 0.14 116.66 126.57 2jpe n ARG 127 Ca 0.19 -1.52 0.00 0.00 -0.00 0.00 0.00 57.85 56.53 2jpe n ARG 127 Cb 0.48 -0.19 -0.03 0.00 0.00 0.00 0.00 32.46 32.72 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 -3.46 0.51 -0.87 -0.14 2.12 -1.26 -3.89 118.70 111.71 2jpe s GLU 128 Ca 0.32 0.73 -0.24 0.00 0.36 0.00 0.00 54.97 56.14 2jpe s GLU 128 Cb -0.02 0.21 -0.21 0.00 0.26 0.00 0.00 34.13 34.37 2jpe s GLU 128 CO 0.20 -0.76 2.26 1.63 -0.54 0.00 0.00 175.26 178.06 2jpe n LYS 129 N 5.41 0.00 0.00 4.30 5.02 0.28 -4.85 118.16 128.32 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 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 2jpe n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2jpe n PRO 130 N 6.94 0.67 -1.69 1.97 -0.04 -1.26 -4.80 135.00 136.77 2jpe n PRO 130 Ca 0.58 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.60 2jpe n PRO 130 Cb 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.48 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 2.20 0.00 0.54 -0.06 -1.26 -5.14 117.38 113.38 2jpe n GLN 131 Ca 0.00 0.78 0.13 0.00 -2.00 0.00 0.00 57.00 55.91 2jpe n GLN 131 Cb 0.00 -2.45 0.23 0.00 -4.06 0.00 0.00 30.24 23.96 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49