#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 3.91 -0.23 -5.12 0.00 -1.26 -5.11 121.76 113.94 2jpe s ALA 2 Ca 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 51.96 50.08 2jpe s ALA 2 Cb 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 23.12 22.27 2jpe s ALA 2 CO 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 175.76 175.55 2jpe s ALA 3 N -2.47 1.95 -0.62 0.00 0.00 -1.26 -5.03 121.76 114.33 2jpe s ALA 3 Ca 0.45 -1.35 0.06 0.00 0.00 0.00 0.00 51.96 51.12 2jpe s ALA 3 Cb -0.02 -1.43 0.26 0.00 0.00 0.00 0.00 23.12 21.92 2jpe s ALA 3 CO 0.26 -1.20 0.75 0.00 0.00 0.00 0.00 175.76 175.58 2jpe n ALA 4 N 4.68 4.03 -2.60 0.00 0.00 -1.26 -5.07 120.51 120.29 2jpe n ALA 4 Ca -0.12 -4.69 -0.31 0.00 0.00 0.00 0.00 53.44 48.33 2jpe n ALA 4 Cb 0.44 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.59 5.09 -0.70 0.00 0.11 -1.26 -5.05 120.40 116.00 2jpe s VAL 5 Ca 0.41 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.60 2jpe s VAL 5 Cb 0.16 -3.65 0.17 0.00 -1.53 0.00 0.00 36.38 31.53 2jpe s VAL 5 CO -0.03 -0.07 0.50 0.59 -3.33 0.00 0.00 175.10 172.76 2jpe n ASN 6 N -0.23 2.97 0.27 3.54 4.13 -1.26 -4.93 115.26 119.76 2jpe n ASN 6 Ca -0.02 -3.20 -0.13 0.00 1.68 0.00 0.00 54.58 52.91 2jpe n ASN 6 Cb 0.52 -0.75 -0.07 0.00 -1.54 0.00 0.00 39.78 37.94 2jpe n ASN 6 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2jpe h SER 7 N 5.34 -0.62 -4.43 6.41 0.87 -2.05 -3.47 113.55 115.60 2jpe h SER 7 Ca 0.15 -0.04 -0.43 0.00 -1.23 0.00 0.00 61.79 60.25 2jpe h SER 7 Cb 0.75 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.80 2jpe h SER 7 CO 0.71 -0.24 -0.30 0.61 -0.53 0.00 0.00 176.83 177.09 2jpe n GLY 8 N -0.39 3.66 0.08 5.77 0.00 -1.26 -5.07 105.19 107.98 2jpe n GLY 8 Ca -0.10 -2.31 -0.03 0.00 0.00 0.00 0.00 46.02 43.58 2jpe n GLY 8 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2jpe h SER 9 N 0.76 -0.25 -0.80 1.61 0.87 -2.02 -3.45 113.55 110.27 2jpe h SER 9 Ca -0.27 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.50 2jpe h SER 9 Cb 0.85 0.09 -0.24 0.00 -0.44 0.00 0.00 62.40 62.66 2jpe h SER 9 CO 0.45 -0.09 0.24 -0.44 -0.53 0.00 0.00 176.83 176.46 2jpe s SER 10 N -2.76 -0.52 0.21 6.23 0.01 -1.26 -5.11 113.70 110.51 2jpe s SER 10 Ca -0.03 0.64 0.11 0.00 1.31 0.00 0.00 55.95 57.98 2jpe s SER 10 Cb 0.01 1.56 -0.04 0.00 0.21 0.00 0.00 66.02 67.75 2jpe s SER 10 CO 0.10 -0.10 -0.18 -0.76 0.41 0.00 0.00 173.24 172.71 2jpe s LEU 11 N 2.48 2.66 0.00 2.44 2.01 -1.26 -5.15 118.68 121.86 2jpe s LEU 11 Ca -0.01 -0.80 0.00 0.00 0.01 0.00 0.00 54.13 53.32 2jpe s LEU 11 Cb -0.06 -1.33 0.00 0.00 0.01 0.00 0.00 46.19 44.81 2jpe s LEU 11 CO -0.17 0.09 0.00 -0.81 1.01 0.00 0.00 176.35 176.48 2jpe n PRO 12 N -0.03 0.71 -0.02 1.29 -0.04 -1.26 -5.02 135.00 130.64 2jpe n PRO 12 Ca -0.10 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2jpe n PRO 12 Cb 0.57 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.95 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 -3.65 1.53 -0.00 -1.26 -5.06 117.00 108.55 2jpe n LEU 13 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2jpe n LEU 13 Cb 0.00 0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 43.49 2jpe n LEU 13 CO 0.00 0.09 0.62 0.12 -0.00 0.00 0.00 177.39 178.22 2jpe s PHE 14 N -2.56 -0.26 -0.18 1.47 5.36 -1.26 -4.93 117.98 115.62 2jpe s PHE 14 Ca -0.04 -0.01 -0.03 0.00 -0.96 0.00 0.00 56.93 55.89 2jpe s PHE 14 Cb 0.05 0.61 0.06 0.00 -0.34 0.00 0.00 43.02 43.40 2jpe s PHE 14 CO 0.43 -0.82 0.03 0.34 -1.46 0.00 0.00 175.22 173.73 2jpe s ASP 15 N -2.78 2.76 0.27 6.13 -1.08 -1.26 -5.12 116.67 115.58 2jpe s ASP 15 Ca 0.08 -0.74 -0.30 0.00 -0.52 0.00 0.00 52.55 51.08 2jpe s ASP 15 Cb -0.02 -0.59 -0.10 0.00 -1.46 0.00 0.00 42.92 40.76 2jpe s ASP 15 CO -0.02 -0.29 1.37 0.00 0.52 0.00 0.00 175.17 176.75 2jpe n PRO 17 N 1.89 0.75 0.00 0.00 -0.04 -1.26 -5.01 135.00 131.33 2jpe n PRO 17 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.53 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 1.13 0.52 5.66 -1.26 -4.40 114.28 115.34 2jpe n THR 18 Ca 0.00 -0.48 0.12 0.00 -3.05 0.00 0.00 64.05 60.64 2jpe n THR 18 Cb 0.00 1.08 0.18 0.00 -1.55 0.00 0.00 70.33 70.05 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 0.03 0.00 -2.42 1.09 4.27 -1.26 -4.92 117.44 114.23 2jpe n TRP 19 Ca 0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.23 2jpe n TRP 19 Cb 0.11 -0.02 -0.04 0.00 -1.36 0.00 0.00 31.31 29.99 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 -2.27 3.42 -0.08 -1.67 0.00 -1.26 0.23 121.76 120.13 2jpe s ALA 20 Ca 0.25 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 2jpe s ALA 20 Cb 0.19 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.98 2jpe s ALA 20 CO 0.45 -0.26 0.20 0.20 0.00 0.00 0.00 175.76 176.35 2jpe s GLY 21 N -0.57 -0.13 -0.42 0.00 0.00 -0.97 -4.76 107.32 100.47 2jpe s GLY 21 Ca 0.47 0.63 -0.43 0.00 0.00 0.00 0.00 44.72 45.39 2jpe s GLY 21 CO 0.41 0.65 1.81 1.17 0.00 0.00 0.00 173.10 177.13 2jpe n LYS 22 N 3.30 0.46 -1.81 2.90 3.00 -1.26 -4.74 118.16 120.01 2jpe n LYS 22 Ca -0.16 0.16 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 2jpe n LYS 22 Cb 0.57 -1.78 0.03 0.00 0.00 0.00 0.00 35.03 33.85 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 4.08 3.15 0.54 1.64 0.04 -1.26 -5.03 135.00 138.16 2jpe s PRO 23 Ca 1.06 1.06 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2jpe s PRO 23 Cb -1.31 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 31.16 2jpe s PRO 23 CO 0.71 -0.93 1.04 -1.25 0.04 0.00 0.00 177.00 176.61 2jpe s PRO 24 N -4.59 3.59 -1.17 0.56 0.04 -1.26 -4.76 135.00 127.40 2jpe s PRO 24 Ca 0.60 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.72 2jpe s PRO 24 Cb -0.15 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2jpe s PRO 24 CO 0.46 -0.60 1.95 -0.35 0.04 0.00 0.00 177.00 178.50 2jpe n PRO 25 N -1.49 2.29 -0.88 0.56 -0.04 -1.26 -3.74 135.00 130.44 2jpe n PRO 25 Ca 0.09 -2.55 -0.02 0.00 -0.04 0.00 0.00 63.50 60.97 2jpe n PRO 25 Cb 0.53 -3.36 -0.01 0.00 -0.04 0.00 0.00 33.50 30.61 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 4.97 -0.13 3.35 0.55 0.00 -1.26 -5.05 105.19 107.62 2jpe n GLY 26 Ca 0.49 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 2jpe n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpe s LEU 27 N -0.24 2.32 -0.28 0.99 1.43 -1.25 0.79 118.68 122.44 2jpe s LEU 27 Ca 0.01 -1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 51.65 2jpe s LEU 27 Cb 0.03 -0.40 0.18 0.00 0.03 0.00 0.00 46.19 46.02 2jpe s LEU 27 CO -0.01 -0.44 1.33 -1.38 0.23 0.00 0.00 176.35 176.08 2jpe s HIS 28 N -3.28 -0.13 0.70 0.29 -3.43 -1.25 -3.95 115.29 104.24 2jpe s HIS 28 Ca 0.28 0.28 -0.05 0.00 -0.80 0.00 0.00 55.06 54.76 2jpe s HIS 28 Cb 0.05 0.47 0.08 0.00 -1.43 0.00 0.00 32.58 31.74 2jpe s HIS 28 CO 0.09 -0.08 0.99 -1.17 -2.00 0.00 0.00 174.74 172.57 2jpe s LEU 29 N -0.38 2.92 0.20 5.38 1.98 0.52 -2.68 118.68 126.63 2jpe s LEU 29 Ca 0.07 0.22 -0.21 0.00 -2.89 0.00 0.00 54.13 51.31 2jpe s LEU 29 Cb -0.03 -2.83 0.05 0.00 0.66 0.00 0.00 46.19 44.04 2jpe s LEU 29 CO -0.11 -1.64 0.62 -1.81 -1.89 0.00 0.00 176.35 171.53 2jpe s ASP 30 N -4.56 -0.41 0.03 3.68 1.01 -1.22 -1.24 116.67 113.96 2jpe s ASP 30 Ca 0.62 -0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.61 2jpe s ASP 30 Cb -0.09 0.64 -0.02 0.00 1.01 0.00 0.00 42.92 44.45 2jpe s ASP 30 CO 0.44 -1.10 -0.07 -0.69 0.21 0.00 0.00 175.17 173.96 2jpe s VAL 31 N -3.83 0.46 -0.05 -1.27 1.01 -0.93 -2.17 120.40 113.63 2jpe s VAL 31 Ca 0.06 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2jpe s VAL 31 Cb -0.03 -0.51 0.03 0.00 0.00 0.00 0.00 36.38 35.88 2jpe s VAL 31 CO -0.05 -0.28 0.12 -0.69 0.00 0.00 0.00 175.10 174.20 2jpe s VAL 32 N -1.10 -0.04 -0.56 2.92 1.01 -1.23 0.19 120.40 121.58 2jpe s VAL 32 Ca -0.08 0.16 0.25 0.00 0.00 0.00 0.00 61.98 62.31 2jpe s VAL 32 Cb -0.08 -0.20 0.27 0.00 0.00 0.00 0.00 36.38 36.37 2jpe s VAL 32 CO 0.00 0.07 1.75 0.07 0.00 0.00 0.00 175.10 176.99 2jpe h LYS 33 N 7.06 0.00 0.00 2.72 5.09 -1.78 1.46 116.57 131.12 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 0.44 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.21 2jpe n GLY 34 N 0.59 -0.64 0.38 0.07 0.00 -1.26 -4.80 105.19 99.53 2jpe n GLY 34 Ca 0.04 0.37 0.01 0.00 0.00 0.00 0.00 46.02 46.43 2jpe n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jpe n ASP 35 N 0.00 0.24 -3.73 1.61 5.68 -1.26 -5.00 116.55 114.10 2jpe n ASP 35 Ca 0.00 -1.95 -0.17 0.00 -0.50 0.00 0.00 54.79 52.16 2jpe n ASP 35 Cb 0.00 -0.19 -0.17 0.00 -1.14 0.00 0.00 41.12 39.62 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2jpe s LYS 36 N -0.27 -0.05 -0.05 0.11 2.20 -1.26 -5.11 119.74 115.30 2jpe s LYS 36 Ca 0.03 0.27 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 2jpe s LYS 36 Cb 0.03 -0.37 -0.06 0.00 -1.51 0.00 0.00 37.83 35.91 2jpe s LYS 36 CO 0.00 -0.24 1.78 -1.17 -0.36 0.00 0.00 175.35 175.36 2jpe s LEU 37 N 1.57 4.26 0.00 5.43 1.98 -1.26 -2.15 118.68 128.51 2jpe s LEU 37 Ca -0.03 2.28 0.00 0.00 -2.89 0.00 0.00 54.13 53.49 2jpe s LEU 37 Cb -0.13 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.19 2jpe s LEU 37 CO -0.03 -1.06 0.10 -0.38 -1.89 0.00 0.00 176.35 173.09 2jpe n ILE 38 N 5.73 0.00 -4.20 6.68 2.08 0.13 -4.94 119.36 124.84 2jpe n ILE 38 Ca 0.19 0.35 -0.10 0.00 0.56 0.00 0.00 62.75 63.75 2jpe n ILE 38 Cb 0.43 -0.85 -0.03 0.00 -0.75 0.00 0.00 39.64 38.43 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 0.85 -3.97 0.38 0.28 -1.24 -4.99 120.64 110.82 2jpe n GLU 39 Ca 0.00 -1.35 -0.09 0.00 -0.16 0.00 0.00 57.16 55.56 2jpe n GLU 39 Cb 0.00 0.70 -0.11 0.00 1.43 0.00 0.00 31.44 33.47 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 -2.61 0.39 0.18 3.44 2.20 -1.26 -2.18 119.74 119.89 2jpe s LYS 40 Ca 0.07 -0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 54.99 2jpe s LYS 40 Cb 0.00 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 2jpe s LYS 40 CO 0.05 -0.08 0.21 -0.51 -0.36 0.00 0.00 175.35 174.67 2jpe s LEU 41 N -1.65 1.13 0.06 5.43 1.43 -0.37 -4.94 118.68 119.78 2jpe s LEU 41 Ca -0.13 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 51.89 2jpe s LEU 41 Cb -0.07 0.81 -0.04 0.00 0.03 0.00 0.00 46.19 46.92 2jpe s LEU 41 CO -0.02 -0.87 0.01 -0.63 0.23 0.00 0.00 176.35 175.07 2jpe s ILE 42 N -4.05 4.15 0.00 -0.59 1.09 -1.26 0.19 121.20 120.73 2jpe s ILE 42 Ca 0.26 -0.83 0.00 0.00 -1.10 0.00 0.00 60.65 58.98 2jpe s ILE 42 Cb 0.05 -2.95 0.00 0.00 -1.06 0.00 0.00 42.46 38.50 2jpe s ILE 42 CO 0.05 0.20 0.73 2.30 -0.10 0.00 0.00 174.94 178.12 2jpe n ILE 43 N 0.79 0.00 -1.88 2.92 -6.64 -1.26 -4.53 119.36 108.77 2jpe n ILE 43 Ca -0.11 0.00 -0.31 0.00 -1.77 0.00 0.00 62.75 60.56 2jpe n ILE 43 Cb 0.52 0.68 0.04 0.00 -1.44 0.00 0.00 39.64 39.44 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 6.24 0.00 7.28 5.68 -1.25 -4.46 116.55 130.03 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 0.60 -0.70 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 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 -0.70 0.00 -2.14 0.11 -0.58 -1.26 -4.61 120.64 111.46 2jpe n GLU 45 Ca 0.51 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 57.21 2jpe n GLU 45 Cb 0.68 -0.62 -0.01 0.00 -0.57 0.00 0.00 31.44 30.92 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 -2.33 1.63 0.00 3.49 -0.00 -1.26 -4.88 118.16 114.81 2jpe n LYS 46 Ca 0.00 -0.51 0.02 0.00 -0.00 0.00 0.00 58.31 57.82 2jpe n LYS 46 Cb 0.29 0.10 -0.02 0.00 -0.00 0.00 0.00 35.03 35.40 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 -0.40 4.67 -3.62 -1.58 0.00 -1.26 -3.99 118.16 111.99 2jpe n LYS 47 Ca -0.02 -0.10 -0.04 0.00 -0.00 0.00 0.00 58.31 58.16 2jpe n LYS 47 Cb 0.09 -0.78 -0.06 0.00 -0.00 0.00 0.00 35.03 34.28 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 -1.36 -0.95 0.15 5.58 -0.85 -1.26 0.35 117.35 119.02 2jpe s TYR 48 Ca 0.02 1.80 0.00 0.00 -0.52 0.00 0.00 57.07 58.38 2jpe s TYR 48 Cb 0.04 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.95 2jpe s TYR 48 CO 0.19 -0.47 0.01 0.66 -1.52 0.00 0.00 175.55 174.42 2jpe n TYR 49 N 4.45 0.22 -4.59 -3.49 4.01 0.16 -4.93 117.16 112.99 2jpe n TYR 49 Ca -0.17 -0.74 -0.27 0.00 -0.16 0.00 0.00 57.90 56.56 2jpe n TYR 49 Cb 0.56 -0.10 -0.10 0.00 -0.31 0.00 0.00 39.34 39.39 2jpe n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jpe s LEU 50 N 0.00 2.52 -0.30 7.72 1.02 -1.26 -1.07 118.68 127.31 2jpe s LEU 50 Ca 0.01 -1.44 0.00 0.00 0.02 0.00 0.00 54.13 52.72 2jpe s LEU 50 Cb -0.00 -0.66 0.19 0.00 0.02 0.00 0.00 46.19 45.74 2jpe s LEU 50 CO 0.00 -0.60 0.62 -0.36 0.02 0.00 0.00 176.35 176.04 2jpe s PHE 51 N -2.94 -1.63 0.00 0.29 0.08 0.19 -3.96 117.98 110.00 2jpe s PHE 51 Ca 0.30 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.83 2jpe s PHE 51 Cb 0.08 0.48 0.00 0.00 -0.57 0.00 0.00 43.02 43.01 2jpe s PHE 51 CO 0.15 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.76 2jpe n GLY 52 N 5.42 -0.17 0.74 4.36 0.00 -1.24 0.90 105.19 115.20 2jpe n GLY 52 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.51 1.61 1.74 -0.91 0.24 116.66 116.83 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 -1.56 6.58 0.40 0.55 2.47 -1.23 -4.75 114.94 117.41 2jpe s ASN 54 Ca 0.00 0.72 0.27 0.00 0.42 0.00 0.00 52.86 54.27 2jpe s ASN 54 Cb 0.00 -2.55 0.88 0.00 -1.45 0.00 0.00 41.25 38.13 2jpe s ASN 54 CO 0.00 -1.25 1.78 1.55 -3.72 0.00 0.00 177.10 175.47 2jpe h PRO 55 N 9.54 0.00 0.00 0.43 0.13 -1.78 0.20 132.00 140.52 2jpe h PRO 55 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2jpe h PRO 55 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jpe h PRO 55 CO 1.10 0.00 -0.01 0.22 -0.23 0.00 0.00 178.00 179.07 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 -0.00 -1.94 -3.23 116.42 112.69 2jpe h ASP 56 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.98 2jpe h ASP 56 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.00 2jpe h ASP 56 CO 0.00 0.01 -1.18 0.18 -0.00 0.00 0.00 179.24 178.25 2jpe n LEU 57 N -3.15 1.68 -4.97 2.28 4.77 -1.07 -5.05 117.00 111.48 2jpe n LEU 57 Ca -0.02 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 2jpe n LEU 57 Cb 0.17 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2jpe n LEU 57 CO 0.24 0.32 0.25 0.00 -1.33 0.00 0.00 177.39 176.86 2jpe n ASP 59 N -2.04 0.94 -2.01 0.00 8.00 -1.26 -4.10 116.55 116.07 2jpe n ASP 59 Ca 0.04 0.21 -0.00 0.00 0.71 0.00 0.00 54.79 55.74 2jpe n ASP 59 Cb 0.59 0.08 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 -1.93 -3.66 1.24 3.01 -1.25 -4.96 117.46 106.86 2jpe n PHE 60 Ca -0.27 -0.01 -0.08 0.00 1.01 0.00 0.00 57.45 58.10 2jpe n PHE 60 Cb 1.08 -0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.45 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 0.28 -0.60 0.30 4.37 -4.23 -1.26 -4.43 115.64 110.07 2jpe s THR 61 Ca 0.00 0.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.74 2jpe s THR 61 Cb -0.00 -0.70 0.03 0.00 1.34 0.00 0.00 72.50 73.17 2jpe s THR 61 CO 0.00 0.06 1.70 0.40 -0.54 0.00 0.00 174.62 176.24 2jpe h ILE 62 N 6.07 1.34 -5.22 2.99 2.04 -0.52 -3.47 117.51 120.73 2jpe h ILE 62 Ca -0.18 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.04 2jpe h ILE 62 Cb 1.12 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2jpe h ILE 62 CO 0.14 0.48 -0.01 -0.67 0.00 0.00 0.00 178.15 178.09 2jpe n ASP 63 N -3.98 -7.44 -0.34 1.72 4.64 -1.25 -5.03 116.55 104.86 2jpe n ASP 63 Ca -0.02 -0.06 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 2jpe n ASP 63 Cb 0.50 -5.05 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 -1.70 -0.12 0.00 -0.67 -0.00 -1.26 -5.06 115.22 106.40 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 1.07 0.07 1.57 10.64 -1.26 -4.73 117.38 124.74 2jpe n GLN 65 Ca 0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 2jpe n GLN 65 Cb 0.00 -0.98 -0.09 0.00 -0.86 0.00 0.00 30.24 28.31 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 0.71 -2.13 2.61 0.02 -1.98 -3.46 113.55 109.31 2jpe h SER 66 Ca 0.00 -0.61 -0.46 0.00 -0.84 0.00 0.00 61.79 59.88 2jpe h SER 66 Cb 0.95 -0.22 0.24 0.00 0.14 0.00 0.00 62.40 63.51 2jpe h SER 66 CO 0.00 1.42 -1.31 0.00 -1.14 0.00 0.00 176.83 175.80 2jpe s SER 68 N -1.73 2.01 0.22 0.00 0.01 -1.26 -4.99 113.70 107.96 2jpe s SER 68 Ca 0.53 -1.14 -0.09 0.00 1.31 0.00 0.00 55.95 56.56 2jpe s SER 68 Cb -0.09 -0.03 0.32 0.00 0.21 0.00 0.00 66.02 66.43 2jpe s SER 68 CO 0.66 -0.41 1.27 0.54 0.41 0.00 0.00 173.24 175.71 2jpe n ARG 69 N -0.38 -0.11 -3.24 12.44 1.74 -1.26 -1.32 116.66 124.53 2jpe n ARG 69 Ca -0.07 1.27 -0.26 0.00 -0.77 0.00 0.00 57.85 58.03 2jpe n ARG 69 Cb 0.63 -1.89 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 2jpe n ARG 69 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jpe n VAL 70 N -5.29 1.72 -0.26 1.55 0.31 -1.26 -2.15 118.33 112.95 2jpe n VAL 70 Ca 0.12 -5.02 0.07 0.00 -0.01 0.00 0.00 64.34 59.49 2jpe n VAL 70 Cb 0.38 -1.74 0.20 0.00 -0.91 0.00 0.00 33.84 31.77 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 3.75 0.30 -1.90 3.52 2.76 0.46 -3.43 115.15 120.61 2jpe h HIS 71 Ca 0.15 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.69 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.64 2jpe h HIS 71 CO 0.66 -0.10 0.04 0.00 -1.30 0.00 0.00 177.93 177.23 2jpe n ALA 72 N -2.67 -0.22 -3.39 5.26 0.00 0.26 -3.10 120.51 116.64 2jpe n ALA 72 Ca 0.15 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.34 2jpe n ALA 72 Cb 0.50 0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 -1.11 -1.23 0.15 0.00 0.00 -0.90 0.57 121.76 119.24 2jpe s ALA 73 Ca 0.02 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.21 2jpe s ALA 73 Cb -0.00 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.38 2jpe s ALA 73 CO 0.01 -0.25 0.43 -1.17 0.00 0.00 0.00 175.76 174.78 2jpe s LEU 74 N 0.01 4.26 -0.09 0.00 0.20 -0.23 -0.81 118.68 122.02 2jpe s LEU 74 Ca -0.02 0.73 -0.03 0.00 0.69 0.00 0.00 54.13 55.50 2jpe s LEU 74 Cb -0.03 -3.33 0.05 0.00 -0.43 0.00 0.00 46.19 42.45 2jpe s LEU 74 CO 0.02 0.05 0.16 -0.69 -0.29 0.00 0.00 176.35 175.60 2jpe s VAL 75 N -1.63 -0.26 -0.48 1.68 1.01 0.10 0.37 120.40 121.19 2jpe s VAL 75 Ca 0.41 0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 2jpe s VAL 75 Cb -0.12 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 35.96 2jpe s VAL 75 CO 0.22 0.11 0.96 -0.47 0.00 0.00 0.00 175.10 175.92 2jpe s TYR 76 N 2.29 2.88 0.80 5.22 5.04 0.16 0.48 117.35 134.22 2jpe s TYR 76 Ca 0.03 0.37 -0.13 0.00 -2.44 0.00 0.00 57.07 54.90 2jpe s TYR 76 Cb -0.12 -4.05 0.08 0.00 0.35 0.00 0.00 41.96 38.22 2jpe s TYR 76 CO -0.06 -1.16 1.21 -1.58 -1.34 0.00 0.00 175.55 172.62 2jpe s HIS 77 N 3.89 1.80 -0.06 4.97 2.46 0.45 -2.29 115.29 126.51 2jpe s HIS 77 Ca 0.38 1.67 -0.01 0.00 0.47 0.00 0.00 55.06 57.56 2jpe s HIS 77 Cb -0.10 -3.50 -0.03 0.00 -0.13 0.00 0.00 32.58 28.81 2jpe s HIS 77 CO 0.26 -2.89 -0.06 0.36 -2.47 0.00 0.00 174.74 169.94 2jpe n LYS 78 N -3.24 0.14 0.08 2.88 2.85 0.14 -3.24 118.16 117.77 2jpe n LYS 78 Ca 0.14 0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.55 2jpe n LYS 78 Cb 0.50 -0.98 0.44 0.00 -0.65 0.00 0.00 35.03 34.34 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 -2.88 0.53 -0.03 5.58 8.25 -1.26 -3.00 115.22 122.41 2jpe n HIS 79 Ca -0.11 0.19 -0.03 0.00 -0.26 0.00 0.00 57.72 57.51 2jpe n HIS 79 Cb 0.60 -0.81 -0.05 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.97 0.04 -1.14 2.41 4.77 -1.26 -5.02 117.00 114.83 2jpe n LEU 80 Ca 0.04 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 2jpe n LEU 80 Cb 0.27 0.16 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2jpe n LEU 80 CO 0.21 0.17 -0.03 0.29 -1.33 0.00 0.00 177.39 176.69 2jpe n LYS 81 N -2.25 -1.41 -1.49 3.23 4.76 -1.16 -5.02 118.16 114.82 2jpe n LYS 81 Ca -0.11 0.35 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2jpe n LYS 81 Cb 0.71 -4.11 0.00 0.00 -1.84 0.00 0.00 35.03 29.79 2jpe n LYS 81 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jpe n ARG 82 N -1.88 1.33 -4.45 1.97 1.74 -1.21 -4.94 116.66 109.21 2jpe n ARG 82 Ca -0.06 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.77 2jpe n ARG 82 Cb 0.55 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 -1.08 2.47 0.05 1.55 1.01 -1.23 0.17 120.40 123.34 2jpe s VAL 83 Ca 0.00 -2.15 -0.07 0.00 0.00 0.00 0.00 61.98 59.75 2jpe s VAL 83 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 2jpe s VAL 83 CO 0.00 -0.25 0.15 -0.36 0.00 0.00 0.00 175.10 174.64 2jpe s PHE 84 N -2.55 0.16 -0.24 5.22 0.40 0.18 0.27 117.98 121.41 2jpe s PHE 84 Ca 0.33 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 2jpe s PHE 84 Cb -0.00 -0.10 0.07 0.00 0.51 0.00 0.00 43.02 43.50 2jpe s PHE 84 CO 0.17 -0.43 -0.02 -1.17 0.70 0.00 0.00 175.22 174.47 2jpe s LEU 85 N -2.35 2.44 -0.49 -0.37 2.96 -0.51 -0.72 118.68 119.64 2jpe s LEU 85 Ca -0.02 -1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 52.46 2jpe s LEU 85 Cb 0.01 -1.07 0.04 0.00 0.50 0.00 0.00 46.19 45.67 2jpe s LEU 85 CO -0.06 -0.28 0.67 -0.63 -1.32 0.00 0.00 176.35 174.73 2jpe s ILE 86 N 1.47 4.80 -1.19 6.68 1.01 0.01 -2.64 121.20 131.34 2jpe s ILE 86 Ca -0.02 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.19 2jpe s ILE 86 Cb -0.18 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 2jpe s ILE 86 CO -0.09 -0.77 1.94 0.47 0.00 0.00 0.00 174.94 176.49 2jpe n ASP 87 N 6.35 3.02 -4.49 3.58 9.92 -1.25 -2.11 116.55 131.57 2jpe n ASP 87 Ca -0.04 -2.69 -0.13 0.00 -0.53 0.00 0.00 54.79 51.40 2jpe n ASP 87 Cb 0.46 -1.74 -0.10 0.00 -0.64 0.00 0.00 41.12 39.11 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 14.54 0.79 -3.94 0.64 4.77 -1.18 -2.64 117.00 129.97 2jpe n LEU 88 Ca 0.45 -1.77 -0.25 0.00 -0.03 0.00 0.00 56.01 54.41 2jpe n LEU 88 Cb 0.46 -1.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.04 2jpe n LEU 88 CO 0.68 -2.80 -0.37 -0.46 -1.33 0.00 0.00 177.39 173.10 2jpe n ASN 89 N 16.10 0.67 -4.68 -1.43 0.23 -1.24 -4.61 115.26 120.30 2jpe n ASN 89 Ca 0.41 -1.01 -0.44 0.00 -0.53 0.00 0.00 54.58 53.01 2jpe n ASN 89 Cb 0.42 -1.26 -0.02 0.00 -2.08 0.00 0.00 39.78 36.84 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jpe n SER 90 N -2.21 2.71 -0.29 0.53 2.88 -1.19 -4.82 113.62 111.23 2jpe n SER 90 Ca -0.26 1.16 0.09 0.00 -1.33 0.00 0.00 58.87 58.53 2jpe n SER 90 Cb 0.55 -1.44 0.18 0.00 -0.75 0.00 0.00 64.21 62.75 2jpe n SER 90 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jpe n THR 91 N 1.45 -0.35 -0.04 2.46 5.66 -1.26 -3.27 114.28 118.93 2jpe n THR 91 Ca 0.10 1.87 -0.08 0.00 -3.05 0.00 0.00 64.05 62.88 2jpe n THR 91 Cb 0.33 -2.65 -0.03 0.00 -1.55 0.00 0.00 70.33 66.43 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 -5.28 0.00 0.00 1.09 8.25 -1.26 -5.08 115.22 112.95 2jpe n HIS 92 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2jpe n HIS 92 Cb 0.53 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 2.41 0.33 3.39 -1.41 0.00 -1.20 -4.97 105.19 103.73 2jpe n GLY 93 Ca -0.15 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.55 2.12 0.13 2.61 2.01 -1.26 0.16 115.64 119.86 2jpe s THR 94 Ca 0.00 -2.07 0.01 0.00 0.31 0.00 0.00 61.69 59.93 2jpe s THR 94 Cb 0.00 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 2jpe s THR 94 CO 0.00 -0.28 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.29 2jpe s PHE 95 N -2.07 0.93 -0.49 4.92 0.40 -0.58 -0.24 117.98 120.86 2jpe s PHE 95 Ca 0.21 -1.07 0.05 0.00 -0.60 0.00 0.00 56.93 55.52 2jpe s PHE 95 Cb -0.06 -0.55 0.39 0.00 0.51 0.00 0.00 43.02 43.32 2jpe s PHE 95 CO 0.09 -0.31 1.05 -0.11 0.70 0.00 0.00 175.22 176.64 2jpe n LEU 96 N -0.10 4.57 0.00 -0.37 7.94 0.81 -1.34 117.00 128.50 2jpe n LEU 96 Ca -0.09 -5.36 0.00 0.00 -1.11 0.00 0.00 56.01 49.45 2jpe n LEU 96 Cb 0.62 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 44.10 2jpe n LEU 96 CO 0.31 2.27 0.00 0.61 -1.11 0.00 0.00 177.39 179.47 2jpe n GLY 97 N -0.39 2.03 0.05 -3.96 0.00 0.28 -4.05 105.19 99.15 2jpe n GLY 97 Ca 0.36 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2jpe n GLY 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jpe n HIS 98 N 0.00 0.00 -4.46 1.61 1.44 -1.26 -4.90 115.22 107.65 2jpe n HIS 98 Ca 0.00 -0.13 -0.24 0.00 -2.01 0.00 0.00 57.72 55.34 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 -0.29 2.39 0.10 0.61 1.01 -1.26 -5.15 121.20 118.61 2jpe s ILE 99 Ca 0.01 -2.38 0.10 0.00 0.00 0.00 0.00 60.65 58.38 2jpe s ILE 99 Cb 0.01 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2jpe s ILE 99 CO 0.00 -0.41 -0.25 0.00 0.00 0.00 0.00 174.94 174.28 2jpe s ARG 100 N -3.53 1.38 0.27 2.79 1.04 -1.26 -0.14 118.95 119.50 2jpe s ARG 100 Ca 0.29 -1.24 0.09 0.00 -1.04 0.00 0.00 55.73 53.84 2jpe s ARG 100 Cb -0.04 -1.75 -0.04 0.00 -2.04 0.00 0.00 34.95 31.08 2jpe s ARG 100 CO 0.14 0.42 0.00 -0.51 -0.04 0.00 0.00 175.30 175.32 2jpe s LEU 101 N -1.84 3.21 0.46 -1.89 1.43 0.67 -4.92 118.68 115.79 2jpe s LEU 101 Ca 0.11 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 2jpe s LEU 101 Cb -0.10 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 2jpe s LEU 101 CO 0.05 -0.01 0.83 -1.61 0.23 0.00 0.00 176.35 175.84 2jpe s GLU 102 N -3.68 3.75 -0.80 1.70 0.41 -1.25 -4.31 118.70 114.52 2jpe s GLU 102 Ca 0.32 0.53 -0.06 0.00 -0.41 0.00 0.00 54.97 55.34 2jpe s GLU 102 Cb -0.06 -2.32 -0.11 0.00 -1.78 0.00 0.00 34.13 29.85 2jpe s GLU 102 CO 0.20 -0.15 2.61 -0.35 -0.49 0.00 0.00 175.26 177.08 2jpe n PRO 103 N -1.64 2.34 0.00 0.39 -0.04 -1.25 -3.11 135.00 131.68 2jpe n PRO 103 Ca 0.03 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 2jpe n PRO 103 Cb 0.54 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 3.48 0.00 -2.32 0.54 8.25 -1.08 -3.66 115.22 120.42 2jpe n HIS 104 Ca 0.50 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 2jpe n HIS 104 Cb 0.35 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 4.31 0.52 -0.41 1.02 -1.18 -4.74 119.74 119.26 2jpe s LYS 105 Ca 0.00 1.84 -0.19 0.00 0.02 0.00 0.00 55.97 57.64 2jpe s LYS 105 Cb 0.00 -3.57 -0.07 0.00 -0.52 0.00 0.00 37.83 33.67 2jpe s LYS 105 CO 0.00 -0.52 1.04 -1.25 -0.92 0.00 0.00 175.35 173.70 2jpe s PRO 106 N 2.33 3.66 -0.19 -1.68 0.04 -1.26 -3.76 135.00 134.14 2jpe s PRO 106 Ca 0.60 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2jpe s PRO 106 Cb -0.28 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.23 2jpe s PRO 106 CO 0.24 -0.54 -0.03 -1.14 0.04 0.00 0.00 177.00 175.58 2jpe s GLN 107 N -3.54 1.25 1.01 4.56 2.00 -1.08 -4.89 119.66 118.97 2jpe s GLN 107 Ca 0.66 -0.62 -0.21 0.00 -2.00 0.00 0.00 55.36 53.19 2jpe s GLN 107 Cb -0.16 -2.18 -0.12 0.00 0.80 0.00 0.00 33.01 31.35 2jpe s GLN 107 CO 0.26 -0.54 -0.84 0.00 -0.50 0.00 0.00 175.29 173.67 2jpe n GLN 108 N 4.87 -0.22 -3.60 1.67 10.64 -1.26 -1.42 117.38 128.07 2jpe n GLN 108 Ca -0.11 -0.06 -0.25 0.00 -1.83 0.00 0.00 57.00 54.75 2jpe n GLN 108 Cb 0.46 -1.18 -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 -0.11 0.70 -0.39 -1.09 0.75 -4.67 121.20 114.32 2jpe s ILE 109 Ca 0.42 -0.18 -0.11 0.00 -2.23 0.00 0.00 60.65 58.55 2jpe s ILE 109 Cb -0.07 -0.60 0.01 0.00 -1.58 0.00 0.00 42.46 40.22 2jpe s ILE 109 CO 0.73 -0.29 1.06 -2.16 -1.23 0.00 0.00 174.94 173.05 2jpe s PRO 110 N 2.16 2.90 0.54 2.79 0.04 -1.26 -3.50 135.00 138.66 2jpe s PRO 110 Ca 0.03 0.95 -0.20 0.00 0.04 0.00 0.00 61.00 61.81 2jpe s PRO 110 Cb -0.16 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 2jpe s PRO 110 CO -0.11 -1.12 1.18 0.42 0.04 0.00 0.00 177.00 177.41 2jpe s ILE 111 N -3.05 2.89 -1.48 0.56 -1.09 -1.26 -2.04 121.20 115.73 2jpe s ILE 111 Ca 0.58 0.59 0.00 0.00 -2.23 0.00 0.00 60.65 59.59 2jpe s ILE 111 Cb -0.14 -3.26 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2jpe s ILE 111 CO 0.55 -0.08 0.00 0.47 -1.23 0.00 0.00 174.94 174.65 2jpe n ASP 112 N -1.17 -5.19 -2.36 3.58 8.00 0.29 -4.93 116.55 114.77 2jpe n ASP 112 Ca 0.11 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.96 2jpe n ASP 112 Cb 0.49 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jpe n SER 113 N -1.05 -0.46 -3.67 -2.24 2.88 -0.86 -4.85 113.62 103.37 2jpe n SER 113 Ca -0.14 -0.67 -0.09 0.00 -1.33 0.00 0.00 58.87 56.64 2jpe n SER 113 Cb 0.58 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.90 -0.01 0.18 2.46 2.01 -1.25 -3.47 115.64 114.66 2jpe s THR 114 Ca 0.00 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2jpe s THR 114 Cb 0.00 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2jpe s THR 114 CO 0.00 0.02 -0.16 0.68 -0.69 0.00 0.00 174.62 174.46 2jpe s VAL 115 N 1.37 1.77 -0.18 3.82 -7.23 0.79 0.98 120.40 121.70 2jpe s VAL 115 Ca -0.09 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 57.99 2jpe s VAL 115 Cb -0.06 -1.93 0.08 0.00 0.56 0.00 0.00 36.38 35.03 2jpe s VAL 115 CO -0.14 -0.46 0.20 -0.94 -0.31 0.00 0.00 175.10 173.45 2jpe s SER 116 N -2.98 1.39 0.66 4.85 1.04 -0.45 -0.78 113.70 117.43 2jpe s SER 116 Ca 0.19 -0.18 -0.13 0.00 0.48 0.00 0.00 55.95 56.30 2jpe s SER 116 Cb -0.03 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 2jpe s SER 116 CO 0.07 -0.32 1.07 -0.36 0.98 0.00 0.00 173.24 174.68 2jpe s PHE 117 N 2.30 2.88 0.00 5.02 0.40 -1.26 -1.53 117.98 125.79 2jpe s PHE 117 Ca 0.06 1.50 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 2jpe s PHE 117 Cb -0.15 -3.01 0.00 0.00 0.51 0.00 0.00 43.02 40.37 2jpe s PHE 117 CO -0.11 -1.37 0.64 0.41 0.70 0.00 0.00 175.22 175.49 2jpe n GLY 118 N -1.20 -3.07 0.00 4.36 0.00 0.42 -3.88 105.19 101.82 2jpe n GLY 118 Ca 0.09 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2jpe n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpe n ALA 119 N -1.14 0.00 -0.41 4.61 0.00 -1.26 -4.55 120.51 117.77 2jpe n ALA 119 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2jpe n ALA 119 Cb 0.00 0.21 0.26 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.84 -2.88 -0.09 0.00 3.41 -1.25 -4.88 113.62 107.08 2jpe n SER 120 Ca 0.00 -0.46 0.01 0.00 -0.26 0.00 0.00 58.87 58.16 2jpe n SER 120 Cb 0.00 -1.08 0.01 0.00 -0.26 0.00 0.00 64.21 62.88 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 -5.22 0.37 -0.08 6.66 -2.24 -1.26 -4.35 114.28 108.16 2jpe n THR 121 Ca 0.06 -0.40 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 2jpe n THR 121 Cb 0.56 0.71 0.07 0.00 -2.10 0.00 0.00 70.33 69.57 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 -0.22 -2.05 -3.18 -0.78 5.12 -1.26 -4.86 116.66 109.44 2jpe n ARG 122 Ca 0.01 -0.33 -0.19 0.00 -1.93 0.00 0.00 57.85 55.41 2jpe n ARG 122 Cb 0.49 -0.47 -0.03 0.00 -1.16 0.00 0.00 32.46 31.28 2jpe n ARG 122 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jpe n ALA 123 N -3.31 1.99 -1.33 7.54 0.00 0.50 -4.39 120.51 121.51 2jpe n ALA 123 Ca -0.04 -3.34 -0.56 0.00 0.00 0.00 0.00 53.44 49.50 2jpe n ALA 123 Cb 0.14 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.57 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 0.51 1.35 -3.41 0.00 4.01 0.04 -3.55 117.16 116.10 2jpe n TYR 124 Ca 0.24 0.57 -0.44 0.00 -0.16 0.00 0.00 57.90 58.11 2jpe n TYR 124 Cb 0.64 -2.39 -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 6.51 4.80 -0.39 -0.72 2.01 -0.92 -0.15 115.64 126.78 2jpe s THR 125 Ca 1.16 -1.64 -0.28 0.00 0.31 0.00 0.00 61.69 61.23 2jpe s THR 125 Cb -1.24 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 67.15 2jpe s THR 125 CO 0.59 -0.84 1.70 -0.22 -0.69 0.00 0.00 174.62 175.17 2jpe s LEU 126 N 1.47 3.49 0.00 4.42 1.98 -1.23 -3.40 118.68 125.42 2jpe s LEU 126 Ca 0.04 1.04 0.02 0.00 -2.89 0.00 0.00 54.13 52.34 2jpe s LEU 126 Cb -0.28 -3.38 0.04 0.00 0.66 0.00 0.00 46.19 43.23 2jpe s LEU 126 CO 0.01 -1.73 0.30 -1.14 -1.89 0.00 0.00 176.35 171.91 2jpe n ARG 127 N 8.45 0.67 -3.27 1.98 3.00 -1.09 0.10 116.66 126.50 2jpe n ARG 127 Ca 0.21 -1.03 -0.05 0.00 -0.00 0.00 0.00 57.85 56.98 2jpe n ARG 127 Cb 0.48 -0.14 -0.05 0.00 0.00 0.00 0.00 32.46 32.75 2jpe n ARG 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jpe s GLU 128 N -3.07 0.44 -0.86 -0.14 -6.30 -1.26 -3.95 118.70 103.56 2jpe s GLU 128 Ca 0.22 0.52 -0.23 0.00 -2.50 0.00 0.00 54.97 52.98 2jpe s GLU 128 Cb -0.02 -0.13 -0.21 0.00 0.00 0.00 0.00 34.13 33.77 2jpe s GLU 128 CO 0.14 -0.79 2.22 1.63 0.02 0.00 0.00 175.26 178.48 2jpe n LYS 129 N 5.38 0.00 0.00 4.30 5.02 0.24 -4.84 118.16 128.25 2jpe n LYS 129 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2jpe n LYS 129 Cb 0.50 -1.20 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 6.80 0.68 -3.09 1.97 -0.04 -1.26 -4.79 135.00 135.27 2jpe n PRO 130 Ca 0.57 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.67 2jpe n PRO 130 Cb 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.44 2jpe n PRO 130 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2jpe s GLN 131 N -0.64 4.22 0.00 0.54 0.74 -1.26 -5.13 119.66 118.12 2jpe s GLN 131 Ca 0.00 0.86 0.00 0.00 0.05 0.00 0.00 55.36 56.27 2jpe s GLN 131 Cb 0.00 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.33 2jpe s GLN 131 CO 0.00 0.34 0.45 0.25 -0.55 0.00 0.00 175.29 175.77