#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpe n ALA 2 N 0.00 -3.14 -1.93 3.04 0.00 -1.26 -4.96 120.51 112.27 2jpe n ALA 2 Ca 0.00 -1.16 -0.27 0.00 0.00 0.00 0.00 53.44 52.01 2jpe n ALA 2 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 19.45 19.39 2jpe n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe n ALA 3 N -4.71 5.30 -4.16 0.00 0.00 -1.26 -4.92 120.51 110.77 2jpe n ALA 3 Ca -0.15 -3.78 -0.30 0.00 0.00 0.00 0.00 53.44 49.22 2jpe n ALA 3 Cb 0.43 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 2jpe n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe n ALA 4 N -0.73 -1.90 -2.94 0.00 0.00 -1.26 -4.92 120.51 108.76 2jpe n ALA 4 Ca 0.47 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 53.36 2jpe n ALA 4 Cb 0.87 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 2jpe n ALA 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jpe s VAL 5 N -4.04 5.28 0.05 0.00 1.01 -1.26 -5.11 120.40 116.33 2jpe s VAL 5 Ca 0.11 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 2jpe s VAL 5 Cb -0.06 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.66 2jpe s VAL 5 CO 0.95 -0.13 1.02 0.54 0.00 0.00 0.00 175.10 177.47 2jpe s ASN 6 N -3.36 -0.20 0.00 3.32 2.20 -1.26 -4.95 114.94 110.69 2jpe s ASN 6 Ca 0.34 -0.20 0.14 0.00 -0.94 0.00 0.00 52.86 52.20 2jpe s ASN 6 Cb -0.11 0.37 0.34 0.00 -2.00 0.00 0.00 41.25 39.86 2jpe s ASN 6 CO 0.28 -0.65 1.26 -1.54 -2.94 0.00 0.00 177.10 173.51 2jpe n SER 7 N -0.37 3.02 -4.10 3.54 3.41 -1.26 -4.97 113.62 112.88 2jpe n SER 7 Ca -0.07 -1.93 -0.31 0.00 -0.26 0.00 0.00 58.87 56.31 2jpe n SER 7 Cb 0.61 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2jpe n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jpe n GLY 8 N 0.80 -0.31 2.44 5.00 0.00 -1.26 -4.93 105.19 106.92 2jpe n GLY 8 Ca 0.14 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.84 -1.49 -4.71 1.61 3.41 -1.26 -4.97 113.62 103.37 2jpe n SER 9 Ca -0.14 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.04 2jpe n SER 9 Cb 0.60 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 2jpe n SER 9 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jpe s SER 10 N -3.64 7.22 0.53 4.04 0.01 -1.26 -4.81 113.70 115.79 2jpe s SER 10 Ca 0.49 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.63 2jpe s SER 10 Cb -0.04 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2jpe s SER 10 CO 0.37 -0.35 0.00 0.18 0.41 0.00 0.00 173.24 173.85 2jpe n LEU 11 N 3.73 -0.89 0.00 2.44 4.32 -1.26 -4.93 117.00 120.41 2jpe n LEU 11 Ca 0.07 2.08 0.00 0.00 -0.02 0.00 0.00 56.01 58.14 2jpe n LEU 11 Cb 0.48 -3.20 0.00 0.00 -1.62 0.00 0.00 43.42 39.08 2jpe n LEU 11 CO 0.54 -2.04 0.00 -0.81 -1.22 0.00 0.00 177.39 173.86 2jpe n PRO 12 N -4.18 0.70 -0.04 3.23 -0.04 -1.26 -5.03 135.00 128.39 2jpe n PRO 12 Ca -0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.35 2jpe n PRO 12 Cb 0.62 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.01 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 -3.47 1.53 -0.00 -1.26 -5.07 117.00 108.73 2jpe n LEU 13 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2jpe n LEU 13 Cb 0.00 0.19 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 2jpe n LEU 13 CO 0.00 0.19 0.58 0.12 -0.00 0.00 0.00 177.39 178.28 2jpe s PHE 14 N -2.24 -0.42 -0.18 1.47 2.19 -1.26 -4.97 117.98 112.57 2jpe s PHE 14 Ca -0.04 0.26 -0.00 0.00 0.33 0.00 0.00 56.93 57.47 2jpe s PHE 14 Cb 0.03 0.55 0.05 0.00 -1.31 0.00 0.00 43.02 42.33 2jpe s PHE 14 CO 0.34 -0.66 -0.05 0.34 1.83 0.00 0.00 175.22 177.02 2jpe s ASP 15 N -2.58 3.09 0.33 6.13 -1.08 -1.26 -5.11 116.67 116.19 2jpe s ASP 15 Ca 0.03 -0.79 -0.29 0.00 -0.52 0.00 0.00 52.55 50.98 2jpe s ASP 15 Cb -0.01 -0.98 -0.10 0.00 -1.46 0.00 0.00 42.92 40.37 2jpe s ASP 15 CO -0.11 -0.20 1.34 0.00 0.52 0.00 0.00 175.17 176.72 2jpe n PRO 17 N 0.81 0.72 0.00 0.00 -0.04 -1.26 -5.00 135.00 130.22 2jpe n PRO 17 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2jpe n PRO 17 Cb 0.41 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.63 0.00 1.13 0.52 5.66 -1.26 -4.34 114.28 115.37 2jpe n THR 18 Ca 0.00 -0.45 0.12 0.00 -3.05 0.00 0.00 64.05 60.67 2jpe n THR 18 Cb 0.00 1.12 0.19 0.00 -1.55 0.00 0.00 70.33 70.09 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 0.01 0.00 -2.64 1.09 4.27 -1.26 -4.91 117.44 113.99 2jpe n TRP 19 Ca 0.04 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.28 2jpe n TRP 19 Cb 0.18 -0.04 -0.05 0.00 -1.36 0.00 0.00 31.31 30.04 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 -2.38 3.19 0.00 -1.67 0.00 -1.26 -0.27 121.76 119.37 2jpe s ALA 20 Ca 0.24 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2jpe s ALA 20 Cb 0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2jpe s ALA 20 CO 0.50 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2jpe n GLY 21 N 0.56 3.60 2.83 0.00 0.00 -1.12 -4.79 105.19 106.27 2jpe n GLY 21 Ca 0.03 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 2jpe n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpe s LYS 22 N 3.15 0.07 0.38 1.61 3.01 -1.26 -4.41 119.74 122.28 2jpe s LYS 22 Ca 0.00 0.51 -0.25 0.00 -1.01 0.00 0.00 55.97 55.22 2jpe s LYS 22 Cb 0.00 -0.44 -0.09 0.00 -1.01 0.00 0.00 37.83 36.29 2jpe s LYS 22 CO 0.00 -0.37 1.06 -1.25 0.51 0.00 0.00 175.35 175.30 2jpe s PRO 23 N 2.31 4.26 0.69 -1.68 0.04 -1.26 -5.04 135.00 134.32 2jpe s PRO 23 Ca 0.03 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2jpe s PRO 23 Cb -0.13 -2.67 0.01 0.00 0.04 0.00 0.00 34.50 31.75 2jpe s PRO 23 CO -0.07 -0.07 1.06 -1.25 0.04 0.00 0.00 177.00 176.71 2jpe s PRO 24 N -2.28 2.95 -1.13 0.56 0.04 -1.26 -4.64 135.00 129.23 2jpe s PRO 24 Ca 0.55 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 2jpe s PRO 24 Cb -0.24 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2jpe s PRO 24 CO 0.30 -1.09 2.01 -0.35 0.04 0.00 0.00 177.00 177.91 2jpe n PRO 25 N -3.12 2.20 -0.92 0.56 -0.04 -1.26 -3.65 135.00 128.76 2jpe n PRO 25 Ca 0.07 -2.37 -0.02 0.00 -0.04 0.00 0.00 63.50 61.14 2jpe n PRO 25 Cb 0.54 -3.23 -0.01 0.00 -0.04 0.00 0.00 33.50 30.76 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 4.65 -0.11 3.31 0.55 0.00 -1.26 -5.05 105.19 107.28 2jpe n GLY 26 Ca 0.50 -0.01 -0.16 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 -0.29 2.44 -0.26 0.99 1.43 -1.24 0.90 118.68 122.65 2jpe s LEU 27 Ca 0.01 -1.08 -0.28 0.00 -1.03 0.00 0.00 54.13 51.74 2jpe s LEU 27 Cb 0.03 -0.42 0.17 0.00 0.03 0.00 0.00 46.19 46.00 2jpe s LEU 27 CO -0.01 -0.34 1.27 -1.38 0.23 0.00 0.00 176.35 176.12 2jpe s HIS 28 N -3.25 -0.15 0.30 0.29 -3.43 -1.25 -3.87 115.29 103.93 2jpe s HIS 28 Ca 0.22 0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.76 2jpe s HIS 28 Cb 0.03 0.47 0.06 0.00 -1.43 0.00 0.00 32.58 31.71 2jpe s HIS 28 CO 0.05 -0.12 0.41 1.28 -2.00 0.00 0.00 174.74 174.36 2jpe n LEU 29 N 0.92 0.00 -3.76 5.38 4.77 0.52 -2.06 117.00 122.77 2jpe n LEU 29 Ca -0.05 -0.77 -0.04 0.00 -0.03 0.00 0.00 56.01 55.11 2jpe n LEU 29 Cb 0.58 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2jpe n LEU 29 CO 0.07 -0.72 0.69 -1.81 -1.33 0.00 0.00 177.39 174.29 2jpe s ASP 30 N -2.63 -0.19 -0.04 -1.43 1.11 -1.16 -2.45 116.67 109.88 2jpe s ASP 30 Ca 0.26 -0.41 -0.05 0.00 0.18 0.00 0.00 52.55 52.53 2jpe s ASP 30 Cb -0.01 0.51 0.01 0.00 1.07 0.00 0.00 42.92 44.50 2jpe s ASP 30 CO 0.18 -0.94 0.14 -0.69 1.18 0.00 0.00 175.17 175.03 2jpe s VAL 31 N -3.36 0.02 -0.01 -1.27 1.01 -0.14 -2.74 120.40 113.91 2jpe s VAL 31 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 2jpe s VAL 31 Cb -0.02 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.12 2jpe s VAL 31 CO 0.02 -0.09 0.02 -0.69 0.00 0.00 0.00 175.10 174.37 2jpe s VAL 32 N -0.25 -0.03 -0.72 2.92 1.01 -1.25 0.07 120.40 122.15 2jpe s VAL 32 Ca -0.03 0.11 0.26 0.00 0.00 0.00 0.00 61.98 62.32 2jpe s VAL 32 Cb -0.03 -0.06 0.24 0.00 0.00 0.00 0.00 36.38 36.54 2jpe s VAL 32 CO 0.00 0.05 1.70 2.29 0.00 0.00 0.00 175.10 179.14 2jpe n LYS 33 N 3.66 0.26 0.00 2.72 2.85 -1.08 0.20 118.16 126.76 2jpe n LYS 33 Ca -0.20 0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2jpe n LYS 33 Cb 0.55 -1.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 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 1.32 -1.62 0.85 2.58 0.00 -1.26 -4.74 105.19 102.32 2jpe n GLY 34 Ca 0.05 0.58 0.03 0.00 0.00 0.00 0.00 46.02 46.68 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 0.88 -3.69 1.61 9.92 -1.26 -4.99 116.55 119.02 2jpe n ASP 35 Ca 0.00 -2.37 -0.13 0.00 -0.53 0.00 0.00 54.79 51.76 2jpe n ASP 35 Cb 0.00 -0.31 -0.13 0.00 -0.64 0.00 0.00 41.12 40.04 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2jpe s LYS 36 N -0.74 0.16 0.02 -1.24 2.20 -1.26 -5.12 119.74 113.76 2jpe s LYS 36 Ca 0.22 0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 56.15 2jpe s LYS 36 Cb 0.23 -0.10 -0.08 0.00 -1.51 0.00 0.00 37.83 36.37 2jpe s LYS 36 CO -0.07 -0.23 1.82 -1.17 -0.36 0.00 0.00 175.35 175.34 2jpe s LEU 37 N 1.87 4.39 -0.05 5.43 1.98 -1.26 -2.64 118.68 128.39 2jpe s LEU 37 Ca -0.04 2.52 -0.01 0.00 -2.89 0.00 0.00 54.13 53.72 2jpe s LEU 37 Cb -0.11 -3.54 -0.00 0.00 0.66 0.00 0.00 46.19 43.20 2jpe s LEU 37 CO -0.08 -0.99 -0.02 0.40 -1.89 0.00 0.00 176.35 173.77 2jpe h ILE 38 N 5.44 0.00 -4.68 6.68 1.08 -0.71 -3.48 117.51 121.84 2jpe h ILE 38 Ca -0.45 -0.44 -0.32 0.00 -0.39 0.00 0.00 64.86 63.25 2jpe h ILE 38 Cb 1.21 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.82 2jpe h ILE 38 CO 0.94 0.00 -0.55 -1.83 -0.69 0.00 0.00 178.15 176.02 2jpe s GLU 39 N -1.32 1.43 0.09 2.37 -1.05 -1.22 -5.01 118.70 113.98 2jpe s GLU 39 Ca -0.02 -1.77 0.06 0.00 -0.15 0.00 0.00 54.97 53.09 2jpe s GLU 39 Cb 0.00 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2jpe s GLU 39 CO 0.02 -0.50 -0.16 0.21 0.95 0.00 0.00 175.26 175.78 2jpe s LYS 40 N -3.87 0.93 0.18 -4.83 2.20 -1.26 -0.97 119.74 112.12 2jpe s LYS 40 Ca 0.39 -1.05 -0.00 0.00 -0.36 0.00 0.00 55.97 54.96 2jpe s LYS 40 Cb 0.05 -0.99 -0.04 0.00 -1.51 0.00 0.00 37.83 35.34 2jpe s LYS 40 CO 0.18 0.22 0.07 -0.51 -0.36 0.00 0.00 175.35 174.95 2jpe s LEU 41 N -1.88 1.66 0.08 5.43 1.43 -1.03 -4.91 118.68 119.46 2jpe s LEU 41 Ca 0.02 -1.28 0.06 0.00 -1.03 0.00 0.00 54.13 51.90 2jpe s LEU 41 Cb -0.09 0.20 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 2jpe s LEU 41 CO 0.03 -0.73 -0.07 -0.63 0.23 0.00 0.00 176.35 175.18 2jpe s ILE 42 N -3.95 3.55 0.00 -0.59 1.09 -1.26 0.19 121.20 120.23 2jpe s ILE 42 Ca 0.30 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.74 2jpe s ILE 42 Cb 0.07 -2.64 0.00 0.00 -1.06 0.00 0.00 42.46 38.83 2jpe s ILE 42 CO 0.07 0.17 0.72 2.30 -0.10 0.00 0.00 174.94 178.10 2jpe n ILE 43 N 0.86 0.00 -2.28 2.92 -6.64 -1.26 -4.57 119.36 108.40 2jpe n ILE 43 Ca -0.13 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.50 2jpe n ILE 43 Cb 0.52 0.77 0.02 0.00 -1.44 0.00 0.00 39.64 39.51 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 6.39 0.00 7.28 5.68 -1.25 -4.44 116.55 130.21 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.52 2jpe n ASP 44 Cb 0.59 -0.85 0.00 0.00 -1.14 0.00 0.00 41.12 39.71 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 -0.43 0.00 -2.41 0.11 1.02 -1.26 -4.66 120.64 113.01 2jpe n GLU 45 Ca 0.46 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.53 2jpe n GLU 45 Cb 0.38 -0.25 -0.01 0.00 -0.02 0.00 0.00 31.44 31.54 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 -2.14 1.53 0.00 3.49 -0.00 -1.26 -4.91 118.16 114.87 2jpe n LYS 46 Ca 0.00 -0.88 0.01 0.00 -0.00 0.00 0.00 58.31 57.44 2jpe n LYS 46 Cb 0.04 0.18 0.00 0.00 -0.00 0.00 0.00 35.03 35.25 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 -0.52 2.15 -3.57 -1.58 0.00 -1.26 -4.13 118.16 109.25 2jpe n LYS 47 Ca -0.03 -0.39 -0.02 0.00 -0.00 0.00 0.00 58.31 57.87 2jpe n LYS 47 Cb 0.16 -0.87 -0.05 0.00 -0.00 0.00 0.00 35.03 34.27 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 -0.62 -0.90 0.00 5.58 -0.85 -1.26 -0.14 117.35 119.16 2jpe s TYR 48 Ca 0.02 1.66 0.00 0.00 -0.52 0.00 0.00 57.07 58.23 2jpe s TYR 48 Cb 0.02 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.90 2jpe s TYR 48 CO 0.06 -0.45 0.00 0.66 -1.52 0.00 0.00 175.55 174.30 2jpe n TYR 49 N 4.65 -0.14 -4.48 -3.49 4.01 0.00 -4.94 117.16 112.78 2jpe n TYR 49 Ca -0.14 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.36 2jpe n TYR 49 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 2jpe n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jpe s LEU 50 N 0.00 1.99 -0.30 7.72 1.02 -1.26 -1.96 118.68 125.89 2jpe s LEU 50 Ca 0.00 -1.60 -0.04 0.00 0.02 0.00 0.00 54.13 52.51 2jpe s LEU 50 Cb 0.00 -0.13 0.19 0.00 0.02 0.00 0.00 46.19 46.27 2jpe s LEU 50 CO 0.00 -0.86 0.78 -0.36 0.02 0.00 0.00 176.35 175.93 2jpe s PHE 51 N -3.28 -1.21 0.00 0.29 0.08 0.16 -4.10 117.98 109.93 2jpe s PHE 51 Ca 0.28 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.39 2jpe s PHE 51 Cb 0.04 0.34 0.00 0.00 -0.57 0.00 0.00 43.02 42.83 2jpe s PHE 51 CO 0.15 -0.68 0.00 0.41 -0.10 0.00 0.00 175.22 175.00 2jpe n GLY 52 N 5.40 -0.18 0.54 4.36 0.00 -1.24 0.68 105.19 114.75 2jpe n GLY 52 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.43 116.66 116.84 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 -1.45 6.66 0.47 0.55 3.04 -1.23 -4.76 114.94 118.22 2jpe s ASN 54 Ca 0.00 0.51 0.27 0.00 0.04 0.00 0.00 52.86 53.68 2jpe s ASN 54 Cb 0.00 -2.53 0.80 0.00 -1.54 0.00 0.00 41.25 37.98 2jpe s ASN 54 CO 0.00 -1.17 1.77 1.55 -3.04 0.00 0.00 177.10 176.22 2jpe h PRO 55 N 9.03 0.00 0.00 0.43 0.13 -1.78 0.53 132.00 140.34 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 0.07 0.06 0.22 -0.23 0.00 0.00 178.00 179.21 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.58 -1.94 -3.12 116.42 116.38 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 0.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2jpe h ASP 56 CO 0.01 0.00 -0.83 0.18 -2.88 0.00 0.00 179.24 175.72 2jpe n LEU 57 N -2.51 0.78 -4.95 2.28 4.77 -1.10 -4.69 117.00 111.56 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 0.10 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2jpe n LEU 57 CO 0.12 0.07 0.38 0.00 -1.33 0.00 0.00 177.39 176.63 2jpe n ASP 59 N -2.32 0.92 -2.02 0.00 8.00 -1.26 -4.14 116.55 115.73 2jpe n ASP 59 Ca 0.05 0.23 -0.00 0.00 0.71 0.00 0.00 54.79 55.77 2jpe n ASP 59 Cb 0.59 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jpe n PHE 60 N -3.05 -1.66 -3.59 1.24 3.01 -1.26 -4.96 117.46 107.19 2jpe n PHE 60 Ca -0.26 -0.02 -0.08 0.00 1.01 0.00 0.00 57.45 58.11 2jpe n PHE 60 Cb 1.08 -0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.46 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 0.09 -0.67 0.33 4.37 -4.23 -1.26 -4.41 115.64 109.87 2jpe s THR 61 Ca 0.00 0.11 0.20 0.00 -1.18 0.00 0.00 61.69 60.83 2jpe s THR 61 Cb -0.00 -0.72 0.18 0.00 1.34 0.00 0.00 72.50 73.31 2jpe s THR 61 CO 0.00 0.03 1.90 0.40 -0.54 0.00 0.00 174.62 176.41 2jpe h ILE 62 N 6.16 0.89 -5.05 2.99 2.04 -0.35 -3.47 117.51 120.72 2jpe h ILE 62 Ca -0.17 -1.03 -0.19 0.00 1.00 0.00 0.00 64.86 64.48 2jpe h ILE 62 Cb 1.12 1.61 0.15 0.00 -0.74 0.00 0.00 36.82 38.96 2jpe h ILE 62 CO 0.15 0.26 -0.66 -0.67 0.00 0.00 0.00 178.15 177.23 2jpe n ASP 63 N -3.79 -6.00 -3.67 1.72 2.03 -1.24 -4.99 116.55 100.61 2jpe n ASP 63 Ca -0.01 -0.55 -0.13 0.00 0.52 0.00 0.00 54.79 54.62 2jpe n ASP 63 Cb 0.36 -4.48 -0.08 0.00 -0.72 0.00 0.00 41.12 36.20 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 -3.30 -0.70 0.14 -0.67 2.46 -1.26 -5.04 115.29 106.92 2jpe s HIS 64 Ca 0.35 1.65 -0.10 0.00 0.47 0.00 0.00 55.06 57.43 2jpe s HIS 64 Cb -0.05 0.26 -0.06 0.00 -0.13 0.00 0.00 32.58 32.61 2jpe s HIS 64 CO 0.62 -0.34 1.42 -0.56 -2.47 0.00 0.00 174.74 173.42 2jpe h GLN 65 N 5.43 0.84 0.01 2.88 3.07 -1.97 -3.23 115.11 122.14 2jpe h GLN 65 Ca -0.29 -0.53 0.03 0.00 0.09 0.00 0.00 58.65 57.95 2jpe h GLN 65 Cb 1.17 0.06 -0.04 0.00 0.08 0.00 0.00 27.48 28.75 2jpe h GLN 65 CO 0.13 1.16 -0.25 0.77 0.09 0.00 0.00 178.83 180.73 2jpe h SER 66 N 0.65 -0.75 -1.68 0.06 0.02 -2.01 -3.42 113.55 106.43 2jpe h SER 66 Ca 0.02 0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 2jpe h SER 66 Cb 1.14 0.30 0.09 0.00 0.14 0.00 0.00 62.40 64.08 2jpe h SER 66 CO 0.12 -0.32 -0.07 0.00 -1.14 0.00 0.00 176.83 175.41 2jpe s SER 68 N -2.13 1.30 0.28 0.00 0.15 -1.26 -4.99 113.70 107.05 2jpe s SER 68 Ca 0.28 -1.35 -0.06 0.00 0.70 0.00 0.00 55.95 55.53 2jpe s SER 68 Cb -0.05 0.13 0.52 0.00 -1.71 0.00 0.00 66.02 64.91 2jpe s SER 68 CO 0.24 -0.69 1.57 0.03 1.20 0.00 0.00 173.24 175.58 2jpe h ARG 69 N 2.41 0.00 -2.16 5.44 -0.00 -1.93 -1.90 114.38 116.24 2jpe h ARG 69 Ca -0.38 -0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.52 2jpe h ARG 69 Cb 1.24 -0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.80 2jpe h ARG 69 CO 0.62 0.00 -0.74 0.28 0.00 0.00 0.00 179.97 180.14 2jpe n VAL 70 N -5.58 1.80 -0.23 2.04 0.31 -1.26 -2.25 118.33 113.16 2jpe n VAL 70 Ca 0.17 -5.04 0.04 0.00 -0.01 0.00 0.00 64.34 59.50 2jpe n VAL 70 Cb 0.55 -1.80 0.16 0.00 -0.91 0.00 0.00 33.84 31.84 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 3.81 0.35 -2.24 3.52 2.76 -0.17 -3.43 115.15 119.75 2jpe h HIS 71 Ca 0.16 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2jpe h HIS 71 Cb 0.69 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 2jpe h HIS 71 CO 0.66 -0.01 0.15 0.00 -1.30 0.00 0.00 177.93 177.44 2jpe n ALA 72 N -2.58 -0.81 -3.31 5.26 0.00 0.21 -3.14 120.51 116.14 2jpe n ALA 72 Ca 0.12 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 2jpe n ALA 72 Cb 0.39 0.33 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.41 -1.04 0.23 0.00 0.00 -0.69 0.41 121.76 119.26 2jpe s ALA 73 Ca 0.07 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.84 2jpe s ALA 73 Cb -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 2jpe s ALA 73 CO 0.04 -0.26 0.42 -1.17 0.00 0.00 0.00 175.76 174.79 2jpe s LEU 74 N -0.72 4.19 -0.17 0.00 0.20 -0.83 -0.26 118.68 121.10 2jpe s LEU 74 Ca -0.08 0.38 -0.07 0.00 0.69 0.00 0.00 54.13 55.05 2jpe s LEU 74 Cb -0.04 -3.17 0.07 0.00 -0.43 0.00 0.00 46.19 42.63 2jpe s LEU 74 CO 0.04 -0.10 0.39 -0.69 -0.29 0.00 0.00 176.35 175.70 2jpe s VAL 75 N -1.97 -0.36 -0.44 1.68 1.01 0.26 -0.82 120.40 119.76 2jpe s VAL 75 Ca 0.38 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2jpe s VAL 75 Cb -0.10 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.70 2jpe s VAL 75 CO 0.30 0.06 0.74 -0.47 0.00 0.00 0.00 175.10 175.74 2jpe s TYR 76 N 2.08 3.02 0.76 5.22 5.04 0.80 0.11 117.35 134.38 2jpe s TYR 76 Ca -0.05 0.11 -0.14 0.00 -2.44 0.00 0.00 57.07 54.55 2jpe s TYR 76 Cb -0.11 -3.56 0.06 0.00 0.35 0.00 0.00 41.96 38.70 2jpe s TYR 76 CO -0.12 -0.94 1.17 -1.58 -1.34 0.00 0.00 175.55 172.74 2jpe s HIS 77 N 3.14 2.09 -0.07 4.97 2.46 0.32 -2.78 115.29 125.42 2jpe s HIS 77 Ca 0.28 1.63 -0.01 0.00 0.47 0.00 0.00 55.06 57.43 2jpe s HIS 77 Cb -0.13 -3.37 -0.04 0.00 -0.13 0.00 0.00 32.58 28.91 2jpe s HIS 77 CO 0.21 -2.46 -0.07 0.36 -2.47 0.00 0.00 174.74 170.32 2jpe n LYS 78 N -3.03 0.16 0.03 2.88 2.85 0.63 -3.16 118.16 118.52 2jpe n LYS 78 Ca 0.12 0.05 0.10 0.00 -1.05 0.00 0.00 58.31 57.53 2jpe n LYS 78 Cb 0.51 -1.02 0.43 0.00 -0.65 0.00 0.00 35.03 34.31 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 -2.89 0.22 -0.01 5.58 8.25 -1.26 -2.97 115.22 122.14 2jpe n HIS 79 Ca -0.13 0.08 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 2jpe n HIS 79 Cb 0.62 -0.63 -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 -1.69 0.00 -2.09 2.41 4.77 -1.26 -5.02 117.00 114.12 2jpe n LEU 80 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 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 0.06 0.29 -1.33 0.00 0.00 177.39 176.67 2jpe n LYS 81 N -2.00 -3.68 -0.96 3.23 4.01 -1.16 -5.00 118.16 112.60 2jpe n LYS 81 Ca -0.05 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.29 2jpe n LYS 81 Cb 0.48 -4.62 0.00 0.00 -0.51 0.00 0.00 35.03 30.38 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 -2.92 1.18 -4.55 1.97 1.74 -1.21 -4.94 116.66 107.93 2jpe n ARG 82 Ca -0.04 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.78 2jpe n ARG 82 Cb 0.56 0.00 -0.11 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 -0.89 2.19 0.02 1.55 1.01 -1.22 0.12 120.40 123.19 2jpe s VAL 83 Ca 0.00 -2.18 -0.09 0.00 0.00 0.00 0.00 61.98 59.71 2jpe s VAL 83 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.69 2jpe s VAL 83 CO 0.00 -0.18 0.19 -0.36 0.00 0.00 0.00 175.10 174.75 2jpe s PHE 84 N -2.63 0.04 -0.28 5.22 0.40 0.31 0.22 117.98 121.25 2jpe s PHE 84 Ca 0.33 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2jpe s PHE 84 Cb 0.04 -0.03 0.08 0.00 0.51 0.00 0.00 43.02 43.61 2jpe s PHE 84 CO 0.17 -0.38 -0.01 -1.17 0.70 0.00 0.00 175.22 174.52 2jpe s LEU 85 N -1.83 3.27 -0.44 -0.37 2.96 -0.48 -0.57 118.68 121.22 2jpe s LEU 85 Ca -0.08 -1.56 -0.22 0.00 -0.22 0.00 0.00 54.13 52.04 2jpe s LEU 85 Cb -0.03 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.37 2jpe s LEU 85 CO -0.02 -0.30 0.75 -0.63 -1.32 0.00 0.00 176.35 174.84 2jpe s ILE 86 N 1.25 4.70 -1.20 6.68 1.01 0.64 -2.64 121.20 131.63 2jpe s ILE 86 Ca 0.01 0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.83 2jpe s ILE 86 Cb -0.19 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 2jpe s ILE 86 CO -0.09 -0.67 1.84 -1.81 0.00 0.00 0.00 174.94 174.21 2jpe s ASP 87 N 2.09 5.75 -0.92 3.58 -0.00 -1.25 -1.71 116.67 124.21 2jpe s ASP 87 Ca 0.28 -1.89 -0.24 0.00 -0.00 0.00 0.00 52.55 50.70 2jpe s ASP 87 Cb -0.13 -2.58 -0.20 0.00 -0.00 0.00 0.00 42.92 40.02 2jpe s ASP 87 CO 0.21 -2.31 2.14 0.18 -0.00 0.00 0.00 175.17 175.40 2jpe n LEU 88 N 11.98 1.15 -4.12 1.23 4.77 -1.19 -2.12 117.00 128.71 2jpe n LEU 88 Ca 0.46 -2.02 -0.29 0.00 -0.03 0.00 0.00 56.01 54.13 2jpe n LEU 88 Cb 0.47 -1.59 -0.09 0.00 -2.33 0.00 0.00 43.42 39.88 2jpe n LEU 88 CO 0.70 -3.13 -0.39 0.59 -1.33 0.00 0.00 177.39 173.83 2jpe n ASN 89 N 18.10 0.54 -4.63 -1.43 3.02 -1.23 -4.62 115.26 125.01 2jpe n ASN 89 Ca 0.41 -1.13 -0.47 0.00 -0.03 0.00 0.00 54.58 53.36 2jpe n ASN 89 Cb 0.45 -1.41 -0.04 0.00 -0.61 0.00 0.00 39.78 38.17 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 -2.47 2.18 -0.31 6.41 2.88 -1.21 -4.80 113.62 116.29 2jpe n SER 90 Ca -0.24 1.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.55 2jpe n SER 90 Cb 0.59 -1.33 0.23 0.00 -0.75 0.00 0.00 64.21 62.95 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 1.97 -0.37 -0.06 2.46 5.66 -1.26 -3.05 114.28 119.63 2jpe n THR 91 Ca 0.14 1.96 -0.14 0.00 -3.05 0.00 0.00 64.05 62.96 2jpe n THR 91 Cb 0.28 -2.83 -0.05 0.00 -1.55 0.00 0.00 70.33 66.18 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 -5.32 0.00 0.00 1.09 8.25 -1.26 -5.13 115.22 112.85 2jpe n HIS 92 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2jpe n HIS 92 Cb 0.63 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 2.18 1.76 3.44 -1.41 0.00 -1.17 -4.95 105.19 105.03 2jpe n GLY 93 Ca -0.25 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.49 2.43 0.11 2.61 2.01 -1.26 0.18 115.64 120.22 2jpe s THR 94 Ca 0.00 -2.03 0.01 0.00 0.31 0.00 0.00 61.69 59.98 2jpe s THR 94 Cb 0.00 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 2jpe s THR 94 CO 0.00 -0.14 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.40 2jpe s PHE 95 N -1.73 0.88 -0.56 4.92 0.40 -0.52 -0.13 117.98 121.23 2jpe s PHE 95 Ca 0.22 -1.00 0.04 0.00 -0.60 0.00 0.00 56.93 55.58 2jpe s PHE 95 Cb -0.08 -0.52 0.38 0.00 0.51 0.00 0.00 43.02 43.31 2jpe s PHE 95 CO 0.11 -0.25 1.19 -0.11 0.70 0.00 0.00 175.22 176.86 2jpe n LEU 96 N -0.06 5.07 0.00 -0.37 7.94 0.12 -1.12 117.00 128.58 2jpe n LEU 96 Ca -0.11 -5.34 0.00 0.00 -1.11 0.00 0.00 56.01 49.45 2jpe n LEU 96 Cb 0.62 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.97 2jpe n LEU 96 CO 0.30 2.22 0.00 0.61 -1.11 0.00 0.00 177.39 179.42 2jpe n GLY 97 N -0.39 2.13 0.01 -3.96 0.00 0.36 -3.94 105.19 99.40 2jpe n GLY 97 Ca 0.38 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.48 1.61 1.44 -1.26 -4.90 115.22 107.63 2jpe n HIS 98 Ca 0.00 -0.13 -0.24 0.00 -2.01 0.00 0.00 57.72 55.33 2jpe n HIS 98 Cb 0.00 -0.01 -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 -0.27 2.38 0.08 0.61 1.01 -1.25 -5.15 121.20 118.62 2jpe s ILE 99 Ca 0.00 -2.35 0.09 0.00 0.00 0.00 0.00 60.65 58.39 2jpe s ILE 99 Cb 0.00 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2jpe s ILE 99 CO 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 174.94 174.34 2jpe s ARG 100 N -3.54 1.40 0.24 2.79 1.04 -1.26 0.12 118.95 119.73 2jpe s ARG 100 Ca 0.30 -1.15 0.09 0.00 -1.04 0.00 0.00 55.73 53.93 2jpe s ARG 100 Cb -0.03 -1.68 -0.04 0.00 -2.04 0.00 0.00 34.95 31.16 2jpe s ARG 100 CO 0.15 0.41 0.01 -0.51 -0.04 0.00 0.00 175.30 175.32 2jpe s LEU 101 N -1.64 3.27 0.50 -1.89 1.43 0.81 -4.92 118.68 116.25 2jpe s LEU 101 Ca 0.10 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 2jpe s LEU 101 Cb -0.10 -1.84 -0.07 0.00 0.03 0.00 0.00 46.19 44.22 2jpe s LEU 101 CO 0.04 0.03 0.93 -1.61 0.23 0.00 0.00 176.35 175.96 2jpe s GLU 102 N -3.45 3.84 -0.74 1.70 0.41 -1.25 -4.31 118.70 114.91 2jpe s GLU 102 Ca 0.30 0.77 -0.06 0.00 -0.41 0.00 0.00 54.97 55.57 2jpe s GLU 102 Cb -0.07 -2.20 -0.12 0.00 -1.78 0.00 0.00 34.13 29.95 2jpe s GLU 102 CO 0.20 -0.25 2.62 -0.35 -0.49 0.00 0.00 175.26 176.99 2jpe n PRO 103 N -1.69 2.27 0.00 0.39 -0.04 -1.25 -3.14 135.00 131.53 2jpe n PRO 103 Ca 0.05 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2jpe n PRO 103 Cb 0.54 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.42 0.00 -2.32 0.54 8.25 -0.90 -3.50 115.22 120.70 2jpe n HIS 104 Ca 0.48 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.52 2jpe n HIS 104 Cb 0.38 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 2jpe n HIS 104 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2jpe s LYS 105 N 0.00 4.34 0.60 -0.41 1.02 -1.19 -4.69 119.74 119.40 2jpe s LYS 105 Ca 0.00 1.86 -0.15 0.00 0.02 0.00 0.00 55.97 57.70 2jpe s LYS 105 Cb 0.00 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2jpe s LYS 105 CO 0.00 -0.45 1.05 -1.25 -0.92 0.00 0.00 175.35 173.78 2jpe s PRO 106 N 1.88 3.35 -0.19 -1.68 0.04 -1.26 -3.78 135.00 133.35 2jpe s PRO 106 Ca 0.61 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 2jpe s PRO 106 Cb -0.30 -2.04 0.06 0.00 0.04 0.00 0.00 34.50 32.26 2jpe s PRO 106 CO 0.26 -0.78 0.01 -1.14 0.04 0.00 0.00 177.00 175.39 2jpe s GLN 107 N -4.18 0.92 1.00 4.56 2.00 -1.08 -4.90 119.66 117.98 2jpe s GLN 107 Ca 0.62 -0.50 -0.20 0.00 -2.00 0.00 0.00 55.36 53.29 2jpe s GLN 107 Cb -0.15 -2.11 -0.13 0.00 0.80 0.00 0.00 33.01 31.42 2jpe s GLN 107 CO 0.38 -0.59 -0.82 0.00 -0.50 0.00 0.00 175.29 173.76 2jpe n GLN 108 N 4.97 -0.13 -3.59 1.67 10.64 -1.26 -1.38 117.38 128.29 2jpe n GLN 108 Ca -0.10 -0.03 -0.26 0.00 -1.83 0.00 0.00 57.00 54.78 2jpe n GLN 108 Cb 0.47 -1.14 -0.16 0.00 -0.86 0.00 0.00 30.24 28.54 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 -0.11 0.87 -0.39 -1.09 0.60 -4.66 121.20 114.35 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 -0.62 0.11 0.00 -1.58 0.00 0.00 42.46 40.27 2jpe s ILE 109 CO 0.76 -0.32 1.12 -2.16 -1.23 0.00 0.00 174.94 173.11 2jpe s PRO 110 N 2.15 1.49 0.61 2.79 0.04 -1.26 -3.43 135.00 137.39 2jpe s PRO 110 Ca 0.03 0.42 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 2jpe s PRO 110 Cb -0.16 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2jpe s PRO 110 CO -0.12 -1.98 1.10 0.42 0.04 0.00 0.00 177.00 176.45 2jpe s ILE 111 N -3.23 3.38 -1.28 0.56 -1.09 -1.26 -2.57 121.20 115.71 2jpe s ILE 111 Ca 0.63 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 2jpe s ILE 111 Cb -0.15 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2jpe s ILE 111 CO 0.54 -0.34 0.00 -0.90 -1.23 0.00 0.00 174.94 173.01 2jpe n ASP 112 N -1.99 -3.20 -2.57 3.58 5.75 0.28 -4.90 116.55 113.51 2jpe n ASP 112 Ca 0.10 0.30 -0.05 0.00 -0.01 0.00 0.00 54.79 55.12 2jpe n ASP 112 Cb 0.52 -3.03 0.04 0.00 -1.03 0.00 0.00 41.12 37.62 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2jpe n SER 113 N -0.41 -0.75 -3.67 -1.12 2.88 -1.06 -4.85 113.62 104.65 2jpe n SER 113 Ca -0.12 -0.79 -0.08 0.00 -1.33 0.00 0.00 58.87 56.55 2jpe n SER 113 Cb 0.40 -0.18 -0.09 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.43 -0.36 0.18 2.46 2.01 -1.25 -3.57 115.64 113.68 2jpe s THR 114 Ca 0.13 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.31 2jpe s THR 114 Cb -0.01 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2jpe s THR 114 CO 0.10 0.04 -0.19 0.68 -0.69 0.00 0.00 174.62 174.56 2jpe s VAL 115 N 2.06 1.94 -0.18 3.82 -7.23 -0.05 0.14 120.40 120.90 2jpe s VAL 115 Ca -0.07 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 2jpe s VAL 115 Cb -0.09 -1.95 0.08 0.00 0.56 0.00 0.00 36.38 34.97 2jpe s VAL 115 CO -0.15 -0.33 0.17 -0.94 -0.31 0.00 0.00 175.10 173.54 2jpe s SER 116 N -2.83 1.58 1.06 4.85 1.04 -0.28 -0.95 113.70 118.17 2jpe s SER 116 Ca 0.19 -0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 2jpe s SER 116 Cb -0.05 0.18 0.22 0.00 0.10 0.00 0.00 66.02 66.47 2jpe s SER 116 CO 0.08 -0.32 1.08 -0.36 0.98 0.00 0.00 173.24 174.70 2jpe s PHE 117 N 2.26 1.78 0.00 5.02 0.40 -1.12 -1.44 117.98 124.88 2jpe s PHE 117 Ca 0.05 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 2jpe s PHE 117 Cb -0.15 -3.27 0.00 0.00 0.51 0.00 0.00 43.02 40.11 2jpe s PHE 117 CO -0.10 -3.21 0.49 0.41 0.70 0.00 0.00 175.22 173.50 2jpe n GLY 118 N -0.80 -3.60 0.00 4.36 0.00 0.48 -3.99 105.19 101.65 2jpe n GLY 118 Ca 0.06 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 -1.04 -0.13 -0.96 4.61 0.00 -1.26 -4.70 120.51 117.03 2jpe n ALA 119 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2jpe n ALA 119 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2jpe n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jpe n SER 120 N -1.98 -0.15 0.00 0.00 2.88 -1.26 -4.64 113.62 108.48 2jpe n SER 120 Ca 0.00 -0.02 0.09 0.00 -1.33 0.00 0.00 58.87 57.61 2jpe n SER 120 Cb 0.00 -0.52 0.51 0.00 -0.75 0.00 0.00 64.21 63.46 2jpe n SER 120 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jpe n THR 121 N 4.42 0.30 -0.59 2.46 -2.24 -1.26 -2.81 114.28 114.55 2jpe n THR 121 Ca 0.43 0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 62.09 2jpe n THR 121 Cb 0.04 -0.76 0.13 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.20 -1.85 -3.15 -0.78 5.12 -1.26 -4.82 116.66 108.72 2jpe n ARG 122 Ca 0.11 -0.54 -0.21 0.00 -1.93 0.00 0.00 57.85 55.27 2jpe n ARG 122 Cb 0.13 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 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 -4.22 2.69 -1.33 7.54 0.00 0.52 -4.35 120.51 121.37 2jpe n ALA 123 Ca 0.04 -3.72 -0.54 0.00 0.00 0.00 0.00 53.44 49.22 2jpe n ALA 123 Cb 0.37 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.83 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 0.37 1.04 -3.36 0.00 4.01 -0.13 -3.86 117.16 115.23 2jpe n TYR 124 Ca 0.26 0.64 -0.45 0.00 -0.16 0.00 0.00 57.90 58.18 2jpe n TYR 124 Cb 0.58 -2.33 -0.06 0.00 -0.31 0.00 0.00 39.34 37.21 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 6.90 5.18 -0.42 -0.72 2.01 -1.11 -0.87 115.64 126.61 2jpe s THR 125 Ca 1.23 -1.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 2jpe s THR 125 Cb -1.39 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 66.91 2jpe s THR 125 CO 0.60 -0.72 1.62 -0.22 -0.69 0.00 0.00 174.62 175.21 2jpe s LEU 126 N 1.61 3.50 0.00 4.42 1.98 -1.23 -2.96 118.68 125.99 2jpe s LEU 126 Ca 0.04 0.89 0.03 0.00 -2.89 0.00 0.00 54.13 52.20 2jpe s LEU 126 Cb -0.27 -3.35 0.05 0.00 0.66 0.00 0.00 46.19 43.28 2jpe s LEU 126 CO 0.05 -1.69 0.38 -1.14 -1.89 0.00 0.00 176.35 172.06 2jpe n ARG 127 N 8.42 0.69 -3.16 1.98 3.00 -0.88 0.10 116.66 126.81 2jpe n ARG 127 Ca 0.19 -1.34 0.03 0.00 -0.00 0.00 0.00 57.85 56.73 2jpe n ARG 127 Cb 0.48 -0.15 -0.01 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 -3.27 0.55 -0.87 -0.14 2.12 -1.26 -3.83 118.70 112.01 2jpe s GLU 128 Ca 0.28 0.75 -0.24 0.00 0.36 0.00 0.00 54.97 56.12 2jpe s GLU 128 Cb -0.02 0.36 -0.21 0.00 0.26 0.00 0.00 34.13 34.52 2jpe s GLU 128 CO 0.18 -0.84 2.26 1.63 -0.54 0.00 0.00 175.26 177.95 2jpe n LYS 129 N 5.42 0.00 0.00 4.30 5.02 0.26 -4.85 118.16 128.31 2jpe n LYS 129 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2jpe n LYS 129 Cb 0.52 -1.23 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 6.93 0.67 -1.53 1.97 -0.04 -1.26 -4.78 135.00 136.95 2jpe n PRO 130 Ca 0.57 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 63.47 2jpe n PRO 130 Cb 0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.43 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 0.38 0.00 0.54 0.00 -1.26 -5.13 117.38 111.62 2jpe n GLN 131 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.00 57.14 2jpe n GLN 131 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 28.56 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69