#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ejm s SER 2 N 0.00 -0.29 0.00 1.61 0.01 -1.26 -5.17 113.70 108.60 2ejm s SER 2 Ca 0.00 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2ejm s SER 2 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2ejm s SER 2 CO 0.00 -0.84 0.00 -1.54 0.41 0.00 0.00 173.24 171.27 2ejm n SER 3 N -0.14 0.00 -2.69 2.44 3.41 -1.26 -5.12 113.62 110.26 2ejm n SER 3 Ca -0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.41 2ejm n SER 3 Cb 0.63 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.62 2ejm n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ejm n GLY 4 N -0.07 -1.44 3.53 5.00 0.00 -1.26 -5.12 105.19 105.83 2ejm n GLY 4 Ca 0.00 1.07 -0.43 0.00 0.00 0.00 0.00 46.02 46.66 2ejm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ejm s SER 5 N 0.71 6.39 0.25 1.61 0.15 -1.26 -4.71 113.70 116.84 2ejm s SER 5 Ca 0.25 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2ejm s SER 5 Cb 0.12 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2ejm s SER 5 CO -0.10 -1.11 0.00 -1.20 1.20 0.00 0.00 173.24 172.03 2ejm n SER 6 N 7.19 -0.04 0.00 5.45 7.64 -1.26 -5.11 113.62 127.50 2ejm n SER 6 Ca 0.03 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2ejm n SER 6 Cb 0.48 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 2ejm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ejm n GLY 7 N 1.73 -1.07 4.22 0.23 0.00 -1.26 -4.97 105.19 104.07 2ejm n GLY 7 Ca 0.00 0.75 -0.34 0.00 0.00 0.00 0.00 46.02 46.43 2ejm n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ejm n VAL 8 N 0.00 -1.69 -3.56 1.61 0.24 -1.26 -4.89 118.33 108.78 2ejm n VAL 8 Ca 0.00 -0.53 -0.38 0.00 -2.04 0.00 0.00 64.34 61.39 2ejm n VAL 8 Cb 0.00 -1.52 -0.06 0.00 -1.47 0.00 0.00 33.84 30.79 2ejm n VAL 8 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2ejm s SER 9 N -4.18 6.67 0.17 -1.34 0.15 -1.26 -4.96 113.70 108.95 2ejm s SER 9 Ca 0.12 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2ejm s SER 9 Cb -0.06 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2ejm s SER 9 CO 0.98 0.29 0.00 -1.20 1.20 0.00 0.00 173.24 174.51 2ejm n SER 10 N 2.22 0.44 -2.23 5.45 7.64 -1.26 -5.05 113.62 120.83 2ejm n SER 10 Ca -0.14 0.27 -0.01 0.00 1.01 0.00 0.00 58.87 60.00 2ejm n SER 10 Cb 0.53 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 2ejm n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ejm n GLN 11 N -3.37 -2.28 -3.65 1.43 6.02 -1.26 -5.08 117.38 109.18 2ejm n GLN 11 Ca 0.00 1.99 -0.05 0.00 -0.01 0.00 0.00 57.00 58.93 2ejm n GLN 11 Cb 0.00 -3.66 -0.07 0.00 1.02 0.00 0.00 30.24 27.53 2ejm n GLN 11 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2ejm s GLU 12 N -0.96 0.47 -0.00 -1.09 2.02 -1.26 -5.08 118.70 112.80 2ejm s GLU 12 Ca -0.03 1.25 -0.00 0.00 0.02 0.00 0.00 54.97 56.21 2ejm s GLU 12 Cb 0.00 0.60 -0.00 0.00 0.10 0.00 0.00 34.13 34.83 2ejm s GLU 12 CO 0.48 -0.22 -0.00 2.41 0.02 0.00 0.00 175.26 177.95 2ejm n THR 13 N 5.36 0.00 -1.58 3.63 -1.04 -1.26 -4.76 114.28 114.63 2ejm n THR 13 Ca -0.11 0.33 -0.33 0.00 -2.04 0.00 0.00 64.05 61.90 2ejm n THR 13 Cb 0.50 -1.34 0.07 0.00 -1.82 0.00 0.00 70.33 67.74 2ejm n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ejm s GLN 14 N -1.00 2.46 0.00 -2.82 -2.07 -1.26 -4.38 119.66 110.60 2ejm s GLN 14 Ca -0.00 1.53 0.00 0.00 -1.82 0.00 0.00 55.36 55.07 2ejm s GLN 14 Cb 0.00 -1.90 0.00 0.00 -1.09 0.00 0.00 33.01 30.02 2ejm s GLN 14 CO 0.00 -1.54 0.00 0.41 -1.32 0.00 0.00 175.29 172.84 2ejm n GLY 15 N -0.16 1.17 3.75 2.60 0.00 -1.26 -5.02 105.19 106.27 2ejm n GLY 15 Ca 0.12 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2ejm n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ejm s GLY 16 N 0.00 1.66 0.15 -0.02 0.00 -1.26 -4.83 107.32 103.02 2ejm s GLY 16 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 44.72 44.58 2ejm s GLY 16 CO 0.00 0.55 1.13 2.56 0.00 0.00 0.00 173.10 177.34 2ejm s PRO 17 N -4.91 4.55 -0.34 2.90 0.04 -1.26 -4.93 135.00 131.05 2ejm s PRO 17 Ca 0.62 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 2ejm s PRO 17 Cb -0.17 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 2ejm s PRO 17 CO 0.56 -0.01 0.24 -0.51 0.04 0.00 0.00 177.00 177.32 2ejm s LEU 18 N -0.07 4.51 0.32 -3.56 1.43 -1.26 -2.61 118.68 117.44 2ejm s LEU 18 Ca 0.51 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.95 2ejm s LEU 18 Cb -0.30 -2.14 -0.16 0.00 0.03 0.00 0.00 46.19 43.63 2ejm s LEU 18 CO 0.34 -0.23 0.29 0.00 0.23 0.00 0.00 176.35 176.98 2ejm n ALA 19 N 5.10 -2.88 0.01 4.21 0.00 -0.44 -4.68 120.51 121.84 2ejm n ALA 19 Ca -0.13 0.26 -0.19 0.00 0.00 0.00 0.00 53.44 53.39 2ejm n ALA 19 Cb 0.50 -1.55 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 2ejm n ALA 19 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ejm h PRO 20 N 0.64 0.66 -4.18 0.00 0.13 -1.93 -1.48 132.00 125.85 2ejm h PRO 20 Ca -0.33 -0.64 -0.30 0.00 -0.87 0.00 0.00 66.00 63.86 2ejm h PRO 20 Cb 1.44 0.17 -0.08 0.00 0.13 0.00 0.00 31.00 32.66 2ejm h PRO 20 CO 0.51 1.24 -0.20 0.00 -0.23 0.00 0.00 178.00 179.33 2ejm s MET 21 N -3.45 1.94 -0.40 0.86 0.23 -1.26 -4.50 119.30 112.72 2ejm s MET 21 Ca -0.11 -1.80 -0.25 0.00 -1.03 0.00 0.00 55.69 52.50 2ejm s MET 21 Cb 0.07 0.44 0.02 0.00 -1.53 0.00 0.00 34.83 33.82 2ejm s MET 21 CO 0.89 -0.80 0.91 0.99 -2.03 0.00 0.00 175.02 174.98 2ejm s THR 22 N -3.01 4.56 0.00 3.16 2.01 -1.26 -4.21 115.64 116.90 2ejm s THR 22 Ca 0.31 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.34 2ejm s THR 22 Cb -0.00 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 68.15 2ejm s THR 22 CO 0.21 -0.62 0.00 0.61 -0.69 0.00 0.00 174.62 174.14 2ejm n GLY 23 N 4.57 3.76 3.33 4.40 0.00 -1.22 -4.65 105.19 115.38 2ejm n GLY 23 Ca 0.06 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 2ejm n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ejm s THR 24 N -2.10 2.11 -0.12 2.61 2.01 0.12 -1.95 115.64 118.33 2ejm s THR 24 Ca 0.00 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 60.40 2ejm s THR 24 Cb 0.00 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2ejm s THR 24 CO 0.00 0.43 1.25 -0.63 -0.69 0.00 0.00 174.62 174.99 2ejm s ILE 25 N -0.74 4.24 -0.26 1.82 -1.09 -0.46 0.15 121.20 124.86 2ejm s ILE 25 Ca 0.11 1.53 -0.13 0.00 -2.23 0.00 0.00 60.65 59.93 2ejm s ILE 25 Cb -0.10 -3.98 -0.14 0.00 -1.58 0.00 0.00 42.46 36.65 2ejm s ILE 25 CO 0.01 -0.08 -0.22 1.21 -1.23 0.00 0.00 174.94 174.63 2ejm n GLU 26 N 6.04 0.60 -4.09 2.79 4.07 0.27 0.14 120.64 130.46 2ejm n GLU 26 Ca 0.13 0.30 -0.14 0.00 -0.06 0.00 0.00 57.16 57.39 2ejm n GLU 26 Cb 0.45 -1.54 -0.12 0.00 -0.06 0.00 0.00 31.44 30.16 2ejm n GLU 26 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2ejm s LYS 27 N -2.49 0.47 -0.33 5.31 -0.14 -1.10 -4.64 119.74 116.82 2ejm s LYS 27 Ca -0.36 -0.54 0.01 0.00 -1.36 0.00 0.00 55.97 53.72 2ejm s LYS 27 Cb 0.12 -0.31 0.10 0.00 -1.68 0.00 0.00 37.83 36.06 2ejm s LYS 27 CO 0.53 0.07 0.09 0.08 -0.76 0.00 0.00 175.35 175.36 2ejm s VAL 28 N -0.91 1.35 -0.80 3.17 1.01 -1.26 0.15 120.40 123.10 2ejm s VAL 28 Ca -0.06 -1.77 -0.02 0.00 0.00 0.00 0.00 61.98 60.13 2ejm s VAL 28 Cb -0.07 -2.01 0.29 0.00 0.00 0.00 0.00 36.38 34.59 2ejm s VAL 28 CO 0.00 -0.67 2.16 0.49 0.00 0.00 0.00 175.10 177.09 2ejm n PHE 29 N 4.58 2.69 -4.01 5.22 3.72 0.25 -4.92 117.46 125.01 2ejm n PHE 29 Ca 0.00 -2.27 -0.13 0.00 -0.05 0.00 0.00 57.45 55.00 2ejm n PHE 29 Cb 0.41 -1.24 -0.03 0.00 -0.94 0.00 0.00 39.48 37.69 2ejm n PHE 29 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2ejm n VAL 30 N -0.20 0.00 0.00 -4.37 0.24 -1.21 -4.62 118.33 108.17 2ejm n VAL 30 Ca 0.53 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.23 2ejm n VAL 30 Cb 0.29 0.98 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 2ejm n VAL 30 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2ejm n LYS 31 N -0.52 -1.35 -2.59 7.34 -0.00 -1.26 -5.07 118.16 114.71 2ejm n LYS 31 Ca 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 2ejm n LYS 31 Cb 0.52 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.51 2ejm n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ejm s ALA 32 N -2.00 3.09 -2.08 0.58 0.00 -1.26 -3.05 121.76 117.04 2ejm s ALA 32 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2ejm s ALA 32 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2ejm s ALA 32 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2ejm n GLY 33 N 0.28 1.53 3.96 0.00 0.00 0.35 -4.96 105.19 106.34 2ejm n GLY 33 Ca 0.05 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2ejm n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ejm s ASP 34 N -2.67 4.95 -0.05 1.61 2.15 -1.17 -4.88 116.67 116.61 2ejm s ASP 34 Ca 0.00 0.08 0.04 0.00 0.43 0.00 0.00 52.55 53.10 2ejm s ASP 34 Cb 0.00 -0.80 0.00 0.00 -0.30 0.00 0.00 42.92 41.82 2ejm s ASP 34 CO 0.00 -1.42 -0.16 -0.54 -0.17 0.00 0.00 175.17 172.88 2ejm s LYS 35 N -4.99 1.87 0.23 4.34 -0.14 -1.26 -1.67 119.74 118.12 2ejm s LYS 35 Ca 0.60 -0.58 0.01 0.00 -1.36 0.00 0.00 55.97 54.64 2ejm s LYS 35 Cb -0.10 -1.57 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 2ejm s LYS 35 CO 0.41 0.18 0.08 0.14 -0.76 0.00 0.00 175.35 175.41 2ejm s VAL 36 N 0.23 0.49 -0.04 3.17 -7.23 -1.05 -4.99 120.40 110.99 2ejm s VAL 36 Ca -0.08 -1.99 0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2ejm s VAL 36 Cb -0.13 -2.50 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 2ejm s VAL 36 CO 0.03 -0.11 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.03 2ejm s LYS 37 N -4.03 1.50 -0.50 4.82 -0.14 -1.26 -3.39 119.74 116.74 2ejm s LYS 37 Ca 0.35 -0.52 -0.46 0.00 -1.36 0.00 0.00 55.97 53.98 2ejm s LYS 37 Cb 0.07 -1.34 -0.20 0.00 -1.68 0.00 0.00 37.83 34.69 2ejm s LYS 37 CO 0.11 0.21 1.69 0.00 -0.76 0.00 0.00 175.35 176.60 2ejm n ALA 38 N 3.15 -1.09 -1.32 5.17 0.00 -1.26 -0.58 120.51 124.59 2ejm n ALA 38 Ca -0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2ejm n ALA 38 Cb 0.53 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2ejm n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ejm n GLY 39 N 4.59 1.01 3.67 0.00 0.00 -1.00 -4.93 105.19 108.54 2ejm n GLY 39 Ca 0.35 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2ejm n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ejm s ASP 40 N -2.56 5.03 -0.96 1.61 1.11 0.25 -4.77 116.67 116.38 2ejm s ASP 40 Ca 0.00 -0.07 -0.24 0.00 0.18 0.00 0.00 52.55 52.42 2ejm s ASP 40 Cb 0.00 -1.27 -0.06 0.00 1.07 0.00 0.00 42.92 42.67 2ejm s ASP 40 CO 0.00 0.25 1.94 -0.94 1.18 0.00 0.00 175.17 177.61 2ejm s SER 41 N -1.72 5.12 0.00 0.27 1.04 -1.26 -1.62 113.70 115.53 2ejm s SER 41 Ca 0.21 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.71 2ejm s SER 41 Cb -0.11 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.42 2ejm s SER 41 CO 0.12 -2.81 0.71 -0.07 0.98 0.00 0.00 173.24 172.17 2ejm h LEU 42 N 17.83 -0.13 -8.79 2.42 3.38 -1.50 -3.41 115.31 125.10 2ejm h LEU 42 Ca 0.12 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.71 2ejm h LEU 42 Cb 0.99 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 2ejm h LEU 42 CO 1.21 -0.06 -0.52 -0.04 0.09 0.00 0.00 178.44 179.12 2ejm s MET 43 N -2.66 1.59 -0.06 1.13 -1.94 -1.24 0.88 119.30 117.00 2ejm s MET 43 Ca -0.02 -1.89 0.04 0.00 -1.71 0.00 0.00 55.69 52.11 2ejm s MET 43 Cb 0.00 0.31 -0.00 0.00 2.01 0.00 0.00 34.83 37.15 2ejm s MET 43 CO 0.07 -0.57 -0.19 0.08 -0.01 0.00 0.00 175.02 174.39 2ejm s VAL 44 N -3.66 1.61 0.40 -6.03 1.01 0.39 -0.22 120.40 113.90 2ejm s VAL 44 Ca 0.40 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.65 2ejm s VAL 44 Cb 0.04 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 2ejm s VAL 44 CO 0.23 0.46 0.11 -0.04 0.00 0.00 0.00 175.10 175.85 2ejm s MET 45 N 0.12 2.13 -0.20 2.72 -1.94 -0.79 0.96 119.30 122.31 2ejm s MET 45 Ca -0.07 -1.89 -0.05 0.00 -1.71 0.00 0.00 55.69 51.97 2ejm s MET 45 Cb -0.13 -1.89 0.07 0.00 2.01 0.00 0.00 34.83 34.89 2ejm s MET 45 CO 0.04 -0.06 0.11 0.42 -0.01 0.00 0.00 175.02 175.52 2ejm s ILE 46 N -2.61 -0.10 0.00 2.53 -1.09 0.40 -1.59 121.20 118.73 2ejm s ILE 46 Ca 0.38 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2ejm s ILE 46 Cb 0.05 -0.66 0.00 0.00 -1.58 0.00 0.00 42.46 40.26 2ejm s ILE 46 CO 0.21 -0.37 0.00 0.00 -1.23 0.00 0.00 174.94 173.55 2ejm n ALA 47 N 5.28 0.02 -0.83 9.38 0.00 -1.11 0.15 120.51 133.40 2ejm n ALA 47 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 2ejm n ALA 47 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 2ejm n ALA 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ejm n MET 48 N 0.00 1.03 -2.52 0.00 2.81 -1.26 -4.19 117.12 112.99 2ejm n MET 48 Ca 0.00 -1.46 -0.01 0.00 -1.81 0.00 0.00 57.70 54.43 2ejm n MET 48 Cb 0.00 -2.68 -0.00 0.00 -0.71 0.00 0.00 33.22 29.83 2ejm n MET 48 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ejm n LYS 49 N 6.81 -2.96 -4.25 0.03 4.76 -1.26 -4.84 118.16 116.45 2ejm n LYS 49 Ca 0.45 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.73 2ejm n LYS 49 Cb 0.35 -4.49 -0.10 0.00 -1.84 0.00 0.00 35.03 28.94 2ejm n LYS 49 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2ejm s MET 50 N -5.01 1.05 -0.09 1.97 -1.94 -1.26 -5.14 119.30 108.86 2ejm s MET 50 Ca 0.01 -1.38 -0.10 0.00 -1.71 0.00 0.00 55.69 52.51 2ejm s MET 50 Cb -0.01 -0.71 -0.05 0.00 2.01 0.00 0.00 34.83 36.08 2ejm s MET 50 CO 0.01 0.11 0.23 -2.00 -0.01 0.00 0.00 175.02 173.36 2ejm s GLU 51 N -3.38 3.71 0.08 2.03 2.12 -1.26 -2.74 118.70 119.26 2ejm s GLU 51 Ca 0.14 0.05 0.05 0.00 0.36 0.00 0.00 54.97 55.57 2ejm s GLU 51 Cb -0.00 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 2ejm s GLU 51 CO 0.02 0.67 -0.14 -1.01 -0.54 0.00 0.00 175.26 174.25 2ejm s HIS 52 N -0.80 1.25 -0.35 5.30 3.76 -0.62 -5.00 115.29 118.83 2ejm s HIS 52 Ca 0.17 -0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 54.52 2ejm s HIS 52 Cb -0.13 -0.70 0.02 0.00 1.11 0.00 0.00 32.58 32.88 2ejm s HIS 52 CO 0.06 0.07 0.17 0.99 -0.85 0.00 0.00 174.74 175.18 2ejm s THR 53 N -1.34 4.41 -0.72 1.30 2.01 -1.26 -1.89 115.64 118.15 2ejm s THR 53 Ca -0.01 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 60.90 2ejm s THR 53 Cb -0.10 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 2ejm s THR 53 CO 0.02 -0.16 1.79 -0.63 -0.69 0.00 0.00 174.62 174.95 2ejm s ILE 54 N 1.53 3.45 0.13 1.82 -1.09 0.69 -4.95 121.20 122.79 2ejm s ILE 54 Ca 0.02 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.18 2ejm s ILE 54 Cb -0.19 -4.14 -0.06 0.00 -1.58 0.00 0.00 42.46 36.49 2ejm s ILE 54 CO 0.06 -1.09 1.00 -0.54 -1.23 0.00 0.00 174.94 173.13 2ejm s LYS 55 N 6.77 4.67 0.44 2.79 -0.14 -1.26 -1.43 119.74 131.58 2ejm s LYS 55 Ca 0.63 1.52 -0.25 0.00 -1.36 0.00 0.00 55.97 56.50 2ejm s LYS 55 Cb -0.10 -3.35 -0.08 0.00 -1.68 0.00 0.00 37.83 32.62 2ejm s LYS 55 CO 0.13 0.18 1.39 0.45 -0.76 0.00 0.00 175.35 176.75 2ejm s SER 56 N -0.05 5.99 0.18 2.83 0.15 -0.64 -4.85 113.70 117.31 2ejm s SER 56 Ca 0.48 2.85 0.02 0.00 0.70 0.00 0.00 55.95 59.99 2ejm s SER 56 Cb -0.25 -2.65 0.04 0.00 -1.71 0.00 0.00 66.02 61.45 2ejm s SER 56 CO 0.31 -1.09 1.41 1.55 1.20 0.00 0.00 173.24 176.62 2ejm h PRO 57 N 2.41 0.24 -2.60 5.44 0.13 -1.93 -2.64 132.00 133.05 2ejm h PRO 57 Ca -0.51 -0.23 0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2ejm h PRO 57 Cb 1.26 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.38 2ejm h PRO 57 CO 0.61 0.93 0.38 -1.59 -0.23 0.00 0.00 178.00 178.10 2ejm s LYS 58 N -3.35 1.39 0.38 0.86 -2.85 -1.26 -4.82 119.74 110.08 2ejm s LYS 58 Ca -0.04 -0.75 -0.24 0.00 -1.00 0.00 0.00 55.97 53.95 2ejm s LYS 58 Cb 0.10 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 36.26 2ejm s LYS 58 CO 0.83 -0.63 0.97 0.16 0.10 0.00 0.00 175.35 176.77 2ejm s ASP 59 N -2.90 7.09 0.00 0.03 1.47 -1.26 -4.15 116.67 116.94 2ejm s ASP 59 Ca 0.11 1.82 0.00 0.00 1.18 0.00 0.00 52.55 55.66 2ejm s ASP 59 Cb -0.03 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.98 2ejm s ASP 59 CO 0.03 -0.25 0.00 0.61 0.68 0.00 0.00 175.17 176.23 2ejm n GLY 60 N 0.10 -1.36 3.15 2.12 0.00 -1.22 -4.91 105.19 103.07 2ejm n GLY 60 Ca 0.04 -0.97 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 2ejm n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ejm s THR 61 N -2.84 3.25 -0.43 2.61 2.01 -1.26 -2.51 115.64 116.47 2ejm s THR 61 Ca 0.00 -1.81 -0.44 0.00 0.31 0.00 0.00 61.69 59.75 2ejm s THR 61 Cb 0.00 -3.11 -0.18 0.00 0.01 0.00 0.00 72.50 69.22 2ejm s THR 61 CO 0.00 -0.50 1.75 0.52 -0.69 0.00 0.00 174.62 175.69 2ejm n VAL 62 N 4.62 0.10 0.03 3.82 0.31 -0.67 -1.75 118.33 124.79 2ejm n VAL 62 Ca -0.06 -0.03 -0.06 0.00 -0.01 0.00 0.00 64.34 64.18 2ejm n VAL 62 Cb 0.42 -0.78 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 2ejm n VAL 62 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2ejm h LYS 63 N 6.57 -0.18 -1.88 5.55 3.64 0.17 1.01 116.57 131.45 2ejm h LYS 63 Ca -0.39 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2ejm h LYS 63 Cb 1.36 0.04 -0.22 0.00 -0.41 0.00 0.00 32.23 33.00 2ejm h LYS 63 CO 0.99 0.09 0.23 0.21 -2.27 0.00 0.00 179.45 178.70 2ejm s LYS 64 N -2.54 0.77 0.02 1.90 2.36 -1.10 -3.80 119.74 117.35 2ejm s LYS 64 Ca -0.07 0.79 -0.18 0.00 -2.55 0.00 0.00 55.97 53.96 2ejm s LYS 64 Cb -0.00 0.37 -0.06 0.00 -1.05 0.00 0.00 37.83 37.09 2ejm s LYS 64 CO 0.26 -0.12 0.53 0.08 1.55 0.00 0.00 175.35 177.66 2ejm s VAL 65 N 0.13 4.88 -0.10 4.02 1.01 -1.26 -1.96 120.40 127.11 2ejm s VAL 65 Ca -0.00 1.12 0.20 0.00 0.00 0.00 0.00 61.98 63.29 2ejm s VAL 65 Cb -0.04 -3.86 -0.30 0.00 0.00 0.00 0.00 36.38 32.18 2ejm s VAL 65 CO 0.00 0.51 0.31 0.49 0.00 0.00 0.00 175.10 176.41 2ejm n PHE 66 N 2.14 0.01 -4.87 5.22 3.72 -0.62 -4.95 117.46 118.11 2ejm n PHE 66 Ca -0.10 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.00 2ejm n PHE 66 Cb 0.51 -0.72 -0.15 0.00 -0.94 0.00 0.00 39.48 38.19 2ejm n PHE 66 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2ejm s TYR 67 N -3.08 2.28 0.42 1.38 1.51 -1.19 -5.08 117.35 113.60 2ejm s TYR 67 Ca -0.09 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 2ejm s TYR 67 Cb 0.11 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.58 2ejm s TYR 67 CO 0.87 0.13 0.10 0.54 -1.11 0.00 0.00 175.55 176.09 2ejm n ARG 68 N 1.75 0.65 -1.68 -0.62 5.12 -1.26 -5.01 116.66 115.61 2ejm n ARG 68 Ca -0.17 -3.41 -0.45 0.00 -1.93 0.00 0.00 57.85 51.88 2ejm n ARG 68 Cb 0.52 1.60 -0.04 0.00 -1.16 0.00 0.00 32.46 33.38 2ejm n ARG 68 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2ejm n GLU 69 N -0.98 2.25 -2.64 5.56 1.02 -1.26 -2.18 120.64 122.42 2ejm n GLU 69 Ca -0.10 0.81 -0.07 0.00 -0.02 0.00 0.00 57.16 57.79 2ejm n GLU 69 Cb 0.60 -2.60 0.03 0.00 -0.02 0.00 0.00 31.44 29.45 2ejm n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ejm n GLY 70 N 3.57 0.27 3.36 0.62 0.00 0.37 -4.97 105.19 108.41 2ejm n GLY 70 Ca 0.17 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2ejm n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ejm s ALA 71 N -3.12 2.33 -0.42 4.61 0.00 -0.93 -4.86 121.76 119.37 2ejm s ALA 71 Ca 0.08 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.75 2ejm s ALA 71 Cb -0.03 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2ejm s ALA 71 CO 0.25 0.53 0.74 -1.14 0.00 0.00 0.00 175.76 176.14 2ejm s GLN 72 N -0.61 3.50 0.33 0.00 0.74 -1.26 -1.35 119.66 121.00 2ejm s GLN 72 Ca 0.09 -0.04 0.07 0.00 0.05 0.00 0.00 55.36 55.54 2ejm s GLN 72 Cb -0.10 -3.89 -0.03 0.00 1.10 0.00 0.00 33.01 30.08 2ejm s GLN 72 CO -0.00 -0.98 0.29 0.00 -0.55 0.00 0.00 175.29 174.04 2ejm s ALA 73 N 3.08 3.83 0.41 1.58 0.00 -0.82 -5.04 121.76 124.79 2ejm s ALA 73 Ca 0.28 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.70 2ejm s ALA 73 Cb -0.13 -1.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.71 2ejm s ALA 73 CO 0.20 0.03 0.04 1.21 0.00 0.00 0.00 175.76 177.24 2ejm s ASN 74 N -3.99 4.00 0.03 0.00 2.47 -1.26 -3.38 114.94 112.81 2ejm s ASN 74 Ca 0.40 -1.29 -0.30 0.00 0.42 0.00 0.00 52.86 52.09 2ejm s ASN 74 Cb -0.06 -0.42 -0.07 0.00 -1.45 0.00 0.00 41.25 39.25 2ejm s ASN 74 CO 0.27 -0.45 1.58 -0.13 -3.72 0.00 0.00 177.10 174.64 2ejm s ARG 75 N -3.75 4.22 -0.61 0.43 0.52 -1.26 -3.24 118.95 115.26 2ejm s ARG 75 Ca 0.36 2.21 -0.02 0.00 -0.52 0.00 0.00 55.73 57.76 2ejm s ARG 75 Cb 0.08 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.88 2ejm s ARG 75 CO 0.19 -0.70 0.55 0.72 0.02 0.00 0.00 175.30 176.08 2ejm n HIS 76 N 5.74 -1.75 -4.24 -0.53 8.25 -0.56 -4.97 115.22 117.17 2ejm n HIS 76 Ca 0.15 0.63 -0.20 0.00 -0.26 0.00 0.00 57.72 58.05 2ejm n HIS 76 Cb 0.42 -3.44 -0.12 0.00 1.12 0.00 0.00 29.99 27.97 2ejm n HIS 76 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2ejm s THR 77 N -3.16 1.39 -0.24 1.59 -4.23 -1.20 -4.83 115.64 104.95 2ejm s THR 77 Ca 0.19 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 2ejm s THR 77 Cb -0.02 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.40 2ejm s THR 77 CO 0.49 -0.26 1.32 -2.16 -0.54 0.00 0.00 174.62 173.46 2ejm s PRO 78 N -2.19 4.02 -0.20 3.99 0.04 -1.26 -1.32 135.00 138.08 2ejm s PRO 78 Ca 0.05 1.44 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 2ejm s PRO 78 Cb -0.08 -3.85 -0.16 0.00 0.04 0.00 0.00 34.50 30.45 2ejm s PRO 78 CO 0.03 -0.98 0.14 -0.07 0.04 0.00 0.00 177.00 176.16 2ejm h LEU 79 N 10.52 0.00 -8.72 -3.56 3.38 -1.86 -3.44 115.31 111.63 2ejm h LEU 79 Ca -0.27 -0.41 -0.32 0.00 0.09 0.00 0.00 57.88 56.97 2ejm h LEU 79 Cb 1.10 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.71 2ejm h LEU 79 CO 1.01 1.36 -0.67 0.68 0.09 0.00 0.00 178.44 180.91 2ejm s VAL 80 N -2.34 0.82 -0.16 1.22 -7.23 -1.26 -1.58 120.40 109.87 2ejm s VAL 80 Ca -0.26 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 2ejm s VAL 80 Cb 0.05 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.86 2ejm s VAL 80 CO 0.52 -0.46 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.04 2ejm s GLU 81 N -3.89 2.10 0.52 4.82 2.12 -0.83 -4.12 118.70 119.42 2ejm s GLU 81 Ca 0.25 -0.60 -0.18 0.00 0.36 0.00 0.00 54.97 54.80 2ejm s GLU 81 Cb 0.06 -2.14 -0.07 0.00 0.26 0.00 0.00 34.13 32.24 2ejm s GLU 81 CO 0.05 -0.30 1.01 -0.06 -0.54 0.00 0.00 175.26 175.41 2ejm s PHE 82 N 1.49 3.24 0.97 5.30 0.08 -1.26 0.18 117.98 127.98 2ejm s PHE 82 Ca 0.03 1.52 -0.12 0.00 0.12 0.00 0.00 56.93 58.48 2ejm s PHE 82 Cb -0.14 -2.90 0.17 0.00 -0.57 0.00 0.00 43.02 39.58 2ejm s PHE 82 CO -0.10 -0.59 1.11 -1.21 -0.10 0.00 0.00 175.22 174.33 2ejm s GLU 83 N -3.79 0.63 0.43 0.44 0.41 -0.72 -4.60 118.70 111.50 2ejm s GLU 83 Ca 0.62 0.41 -0.26 0.00 -0.41 0.00 0.00 54.97 55.33 2ejm s GLU 83 Cb -0.12 -1.77 -0.09 0.00 -1.78 0.00 0.00 34.13 30.36 2ejm s GLU 83 CO 0.28 -2.57 1.42 -1.91 -0.49 0.00 0.00 175.26 171.99 2ejm n GLU 84 N -4.04 2.29 -1.53 1.61 2.13 -1.26 -4.86 120.64 114.98 2ejm n GLU 84 Ca 0.06 0.81 -0.32 0.00 0.66 0.00 0.00 57.16 58.37 2ejm n GLU 84 Cb 0.58 -2.60 0.07 0.00 0.27 0.00 0.00 31.44 29.76 2ejm n GLU 84 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2ejm s GLU 85 N -2.33 2.60 -0.34 5.31 -1.05 -1.26 -5.02 118.70 116.61 2ejm s GLU 85 Ca 0.59 1.22 0.02 0.00 -0.15 0.00 0.00 54.97 56.66 2ejm s GLU 85 Cb -0.47 -1.94 0.10 0.00 -0.44 0.00 0.00 34.13 31.38 2ejm s GLU 85 CO 0.59 -1.38 0.06 -1.21 0.95 0.00 0.00 175.26 174.27 2ejm s GLU 86 N -4.58 1.68 0.57 -4.83 0.41 -1.26 -5.10 118.70 105.59 2ejm s GLU 86 Ca 0.63 -1.80 -0.12 0.00 -0.41 0.00 0.00 54.97 53.27 2ejm s GLU 86 Cb -0.18 -3.25 -0.05 0.00 -1.78 0.00 0.00 34.13 28.87 2ejm s GLU 86 CO 0.49 -0.92 0.99 0.45 -0.49 0.00 0.00 175.26 175.78 2ejm s SER 87 N 1.11 6.34 0.00 -0.19 0.15 -1.26 -4.85 113.70 115.00 2ejm s SER 87 Ca 0.08 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.14 2ejm s SER 87 Cb -0.20 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2ejm s SER 87 CO -0.07 -0.76 0.00 -0.67 1.20 0.00 0.00 173.24 172.94 2ejm n ASP 88 N -2.36 0.00 -1.78 5.45 -0.08 -1.26 -5.13 116.55 111.39 2ejm n ASP 88 Ca 0.06 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2ejm n ASP 88 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 2ejm n ASP 88 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ejm n LYS 89 N 0.00 -4.81 -3.63 -0.67 4.76 -1.26 -4.98 118.16 107.56 2ejm n LYS 89 Ca 0.00 3.47 -0.29 0.00 -2.87 0.00 0.00 58.31 58.61 2ejm n LYS 89 Cb 0.00 -3.73 -0.13 0.00 -1.84 0.00 0.00 35.03 29.33 2ejm n LYS 89 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ejm s ARG 90 N -1.60 0.93 -0.29 1.97 1.81 -1.26 -5.08 118.95 115.43 2ejm s ARG 90 Ca 0.00 -1.60 -0.26 0.00 -1.72 0.00 0.00 55.73 52.16 2ejm s ARG 90 Cb 0.00 -1.92 0.17 0.00 -0.45 0.00 0.00 34.95 32.75 2ejm s ARG 90 CO 0.00 -1.14 1.31 -2.00 -0.68 0.00 0.00 175.30 172.78 2ejm s GLU 91 N 0.84 0.20 -0.30 3.54 2.12 -1.26 -5.16 118.70 118.69 2ejm s GLU 91 Ca 0.16 0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.57 2ejm s GLU 91 Cb -0.23 0.10 0.18 0.00 0.26 0.00 0.00 34.13 34.44 2ejm s GLU 91 CO -0.05 -0.03 1.01 -1.54 -0.54 0.00 0.00 175.26 174.12 2ejm s SER 92 N -0.07 -0.53 -0.33 -1.70 1.04 -1.26 -5.12 113.70 105.72 2ejm s SER 92 Ca 0.06 0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.84 2ejm s SER 92 Cb -0.04 1.48 0.19 0.00 0.10 0.00 0.00 66.02 67.74 2ejm s SER 92 CO -0.12 -0.10 0.95 -1.61 0.98 0.00 0.00 173.24 173.35 2ejm s GLU 93 N 2.82 0.29 -0.18 4.02 0.41 -1.26 -5.17 118.70 119.63 2ejm s GLU 93 Ca 0.01 -0.02 -0.35 0.00 -0.41 0.00 0.00 54.97 54.20 2ejm s GLU 93 Cb -0.10 0.05 0.14 0.00 -1.78 0.00 0.00 34.13 32.45 2ejm s GLU 93 CO -0.13 -0.45 1.23 -1.12 -0.49 0.00 0.00 175.26 174.30 2ejm s SER 94 N 2.20 -0.12 -0.43 -0.19 0.01 -1.26 -5.11 113.70 108.81 2ejm s SER 94 Ca 0.17 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.46 2ejm s SER 94 Cb 0.00 0.13 0.28 0.00 0.21 0.00 0.00 66.02 66.64 2ejm s SER 94 CO -0.16 -0.22 1.08 0.61 0.41 0.00 0.00 173.24 174.97 2ejm n GLY 95 N -0.12 -0.33 3.81 3.44 0.00 -1.26 -5.15 105.19 105.57 2ejm n GLY 95 Ca 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.05 2ejm n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ejm s PRO 96 N 0.39 3.48 -0.30 1.61 0.04 -1.26 -5.04 135.00 133.92 2ejm s PRO 96 Ca 0.27 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.38 2ejm s PRO 96 Cb 0.25 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.92 2ejm s PRO 96 CO -0.16 -0.68 1.09 -1.12 0.04 0.00 0.00 177.00 176.18 2ejm s SER 97 N -2.66 -0.30 0.16 6.66 0.01 -1.26 -5.05 113.70 111.26 2ejm s SER 97 Ca 0.64 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2ejm s SER 97 Cb -0.15 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.27 2ejm s SER 97 CO 0.33 -0.05 0.00 -0.24 0.41 0.00 0.00 173.24 173.68 2ejm n SER 98 N 5.13 -1.48 0.00 2.44 2.88 -1.26 -5.38 113.62 115.95 2ejm n SER 98 Ca 0.08 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2ejm n SER 98 Cb 0.58 1.65 0.00 0.00 -0.75 0.00 0.00 64.21 65.69 2ejm n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42