#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ezm n GLY 2 N 0.00 1.86 2.04 -0.72 0.00 -1.25 -4.61 105.19 102.52 2ezm n GLY 2 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 2ezm n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ezm n LYS 3 N 9.96 -0.10 0.29 1.61 5.02 -1.09 -4.65 118.16 129.20 2ezm n LYS 3 Ca 0.00 0.48 0.10 0.00 -2.02 0.00 0.00 58.31 56.87 2ezm n LYS 3 Cb 0.00 -3.97 0.45 0.00 -0.02 0.00 0.00 35.03 31.49 2ezm n LYS 3 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2ezm h PHE 4 N 0.00 0.00 0.00 2.13 -0.00 -1.85 0.37 116.94 117.59 2ezm h PHE 4 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 2ezm h PHE 4 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.03 2ezm h PHE 4 CO 0.04 0.00 0.00 -1.13 -0.00 0.00 0.00 178.31 177.22 2ezm n SER 5 N -2.79 0.47 0.17 -0.68 3.41 -1.26 -1.92 113.62 111.02 2ezm n SER 5 Ca 0.01 0.62 0.03 0.00 -0.26 0.00 0.00 58.87 59.27 2ezm n SER 5 Cb 0.71 -0.72 0.30 0.00 -0.26 0.00 0.00 64.21 64.25 2ezm n SER 5 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2ezm h GLN 6 N 0.00 0.00 0.00 4.33 4.20 -0.65 -3.27 115.11 119.72 2ezm h GLN 6 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ezm h GLN 6 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2ezm h GLN 6 CO 0.00 0.44 -0.16 0.25 -0.67 0.00 0.00 178.83 178.70 2ezm n THR 7 N -3.66 1.22 -4.22 -0.54 -2.24 -1.03 -5.05 114.28 98.75 2ezm n THR 7 Ca -0.01 -1.45 -0.18 0.00 -2.27 0.00 0.00 64.05 60.14 2ezm n THR 7 Cb 0.53 0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.70 2ezm n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ezm s TYR 9 N -1.98 0.77 -1.46 0.00 1.13 -0.88 -4.76 117.35 110.17 2ezm s TYR 9 Ca 0.06 -1.05 -0.07 0.00 -1.41 0.00 0.00 57.07 54.60 2ezm s TYR 9 Cb -0.06 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.74 2ezm s TYR 9 CO 0.02 -0.93 0.61 0.09 -2.51 0.00 0.00 175.55 172.84 2ezm n ASN 10 N -0.61 -5.31 -4.77 -0.18 3.02 -1.26 -3.23 115.26 102.92 2ezm n ASN 10 Ca 0.00 -0.35 -0.38 0.00 -0.03 0.00 0.00 54.58 53.82 2ezm n ASN 10 Cb 0.63 -4.31 -0.01 0.00 -0.61 0.00 0.00 39.78 35.49 2ezm n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2ezm s SER 11 N -2.76 6.24 0.04 6.41 0.01 -1.26 -4.56 113.70 117.81 2ezm s SER 11 Ca 0.36 2.48 -0.07 0.00 1.31 0.00 0.00 55.95 60.03 2ezm s SER 11 Cb -0.17 -2.62 -0.00 0.00 0.21 0.00 0.00 66.02 63.43 2ezm s SER 11 CO 0.45 -0.89 0.14 0.00 0.41 0.00 0.00 173.24 173.35 2ezm s ALA 12 N -1.38 -0.19 -0.03 1.44 0.00 -0.28 -5.01 121.76 116.30 2ezm s ALA 12 Ca 0.60 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.16 2ezm s ALA 12 Cb -0.34 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.04 2ezm s ALA 12 CO 0.42 -0.32 -0.06 0.42 0.00 0.00 0.00 175.76 176.21 2ezm s ILE 13 N -2.49 0.57 -0.17 0.00 1.01 -1.26 -1.56 121.20 117.30 2ezm s ILE 13 Ca -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 2ezm s ILE 13 Cb -0.02 -0.54 0.05 0.00 0.01 0.00 0.00 42.46 41.96 2ezm s ILE 13 CO -0.04 0.20 0.04 -1.58 0.00 0.00 0.00 174.94 173.56 2ezm s GLN 14 N 0.41 0.53 7.63 2.79 0.74 -1.02 -4.70 119.66 126.03 2ezm s GLN 14 Ca -0.05 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.10 2ezm s GLN 14 Cb -0.09 -1.85 0.00 0.00 1.10 0.00 0.00 33.01 32.17 2ezm s GLN 14 CO 0.00 -0.58 0.00 0.41 -0.55 0.00 0.00 175.29 174.57 2ezm n GLY 15 N 5.11 2.98 0.48 2.59 0.00 -1.26 -2.04 105.19 113.05 2ezm n GLY 15 Ca -0.08 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.87 2ezm n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ezm n SER 16 N 9.37 2.27 -4.65 1.61 3.41 -1.26 -4.73 113.62 119.63 2ezm n SER 16 Ca 0.00 -1.67 -0.39 0.00 -0.26 0.00 0.00 58.87 56.55 2ezm n SER 16 Cb 0.00 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.79 2ezm n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ezm s VAL 17 N -0.91 5.13 -0.16 -3.33 1.01 -0.86 -2.64 120.40 118.64 2ezm s VAL 17 Ca 0.16 0.85 -0.16 0.00 0.00 0.00 0.00 61.98 62.83 2ezm s VAL 17 Cb 0.09 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2ezm s VAL 17 CO 0.13 0.18 0.39 -0.22 0.00 0.00 0.00 175.10 175.58 2ezm s LEU 18 N 1.69 4.22 -0.06 3.92 2.96 -1.13 -2.42 118.68 127.86 2ezm s LEU 18 Ca 0.22 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 2ezm s LEU 18 Cb -0.15 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 44.03 2ezm s LEU 18 CO 0.09 0.01 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.11 2ezm s THR 19 N 0.81 1.19 0.09 3.68 2.01 -0.60 -2.64 115.64 120.18 2ezm s THR 19 Ca 0.20 -0.52 -0.22 0.00 0.31 0.00 0.00 61.69 61.46 2ezm s THR 19 Cb -0.14 -1.07 0.06 0.00 0.01 0.00 0.00 72.50 71.35 2ezm s THR 19 CO 0.07 0.36 0.54 -0.55 -0.69 0.00 0.00 174.62 174.35 2ezm s SER 20 N 0.58 -0.46 -0.25 3.53 0.15 -1.15 -1.13 113.70 114.98 2ezm s SER 20 Ca -0.14 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 2ezm s SER 20 Cb -0.15 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.64 2ezm s SER 20 CO 0.04 -0.82 0.25 -0.89 1.20 0.00 0.00 173.24 173.02 2ezm s THR 21 N -3.05 5.28 0.19 6.45 2.01 -1.20 -3.06 115.64 122.26 2ezm s THR 21 Ca -0.02 0.34 0.11 0.00 0.31 0.00 0.00 61.69 62.43 2ezm s THR 21 Cb -0.00 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2ezm s THR 21 CO -0.07 0.27 -0.24 0.00 -0.69 0.00 0.00 174.62 173.89 2ezm s GLU 23 N -2.64 4.44 0.50 0.00 2.12 -1.02 0.18 118.70 122.29 2ezm s GLU 23 Ca 0.20 1.04 -0.15 0.00 0.36 0.00 0.00 54.97 56.42 2ezm s GLU 23 Cb -0.08 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.12 2ezm s GLU 23 CO 0.10 0.51 0.95 1.03 -0.54 0.00 0.00 175.26 177.30 2ezm s ARG 24 N -1.44 3.90 0.25 4.30 0.52 -0.27 -3.10 118.95 123.11 2ezm s ARG 24 Ca 0.38 0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 56.38 2ezm s ARG 24 Cb -0.21 -2.18 0.26 0.00 0.52 0.00 0.00 34.95 33.34 2ezm s ARG 24 CO 0.24 -0.24 1.93 1.15 0.02 0.00 0.00 175.30 178.39 2ezm h THR 25 N 0.89 1.26 -0.35 0.02 2.02 -1.90 -1.58 112.91 113.27 2ezm h THR 25 Ca -0.47 -0.47 -0.14 0.00 0.77 0.00 0.00 66.41 66.10 2ezm h THR 25 Cb 1.19 -0.22 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 2ezm h THR 25 CO 0.62 0.25 0.18 -3.20 0.37 0.00 0.00 175.52 173.74 2ezm n ASN 26 N -4.38 3.19 -0.48 4.18 5.15 -1.26 -5.00 115.26 116.67 2ezm n ASN 26 Ca 0.12 -2.57 0.03 0.00 -0.60 0.00 0.00 54.58 51.56 2ezm n ASN 26 Cb 0.01 -0.62 -0.02 0.00 -0.53 0.00 0.00 39.78 38.63 2ezm n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ezm n GLY 27 N -0.03 -3.01 0.00 8.20 0.00 -0.59 -5.09 105.19 104.68 2ezm n GLY 27 Ca 0.20 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2ezm n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ezm n GLY 28 N -2.39 2.34 3.45 -0.02 0.00 -1.26 -4.50 105.19 102.80 2ezm n GLY 28 Ca -0.02 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 2ezm n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ezm s TYR 29 N -2.84 2.53 0.06 1.61 2.02 -1.26 -1.12 117.35 118.35 2ezm s TYR 29 Ca 0.00 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.49 2ezm s TYR 29 Cb 0.00 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.10 2ezm s TYR 29 CO 0.00 0.26 -0.18 1.21 -1.57 0.00 0.00 175.55 175.27 2ezm s ASN 30 N -1.54 2.21 -0.10 2.29 2.47 0.13 -4.89 114.94 115.50 2ezm s ASN 30 Ca 0.15 -0.55 0.04 0.00 0.42 0.00 0.00 52.86 52.91 2ezm s ASN 30 Cb -0.10 -0.15 -0.00 0.00 -1.45 0.00 0.00 41.25 39.55 2ezm s ASN 30 CO 0.06 0.08 -0.24 -0.89 -3.72 0.00 0.00 177.10 172.39 2ezm s THR 31 N -0.95 2.08 0.21 -5.21 2.01 -1.26 -0.22 115.64 112.30 2ezm s THR 31 Ca 0.05 -1.01 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 2ezm s THR 31 Cb -0.09 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.63 2ezm s THR 31 CO 0.02 0.56 0.43 -0.94 -0.69 0.00 0.00 174.62 174.00 2ezm s SER 32 N 0.33 -0.09 0.03 3.53 1.04 -1.17 -5.03 113.70 112.33 2ezm s SER 32 Ca -0.19 -0.82 0.01 0.00 0.48 0.00 0.00 55.95 55.43 2ezm s SER 32 Cb -0.18 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.46 2ezm s SER 32 CO 0.09 -1.05 -0.05 -0.44 0.98 0.00 0.00 173.24 172.77 2ezm s SER 33 N -2.97 0.45 -0.04 7.02 0.01 -1.26 -2.92 113.70 113.99 2ezm s SER 33 Ca 0.18 -0.47 -0.04 0.00 1.31 0.00 0.00 55.95 56.94 2ezm s SER 33 Cb 0.00 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.31 2ezm s SER 33 CO 0.04 -0.23 0.10 -0.51 0.41 0.00 0.00 173.24 173.05 2ezm s ILE 34 N -1.28 0.00 -0.32 1.44 2.07 -1.08 -5.00 121.20 117.03 2ezm s ILE 34 Ca -0.12 -0.03 -0.28 0.00 -1.41 0.00 0.00 60.65 58.82 2ezm s ILE 34 Cb -0.09 -0.16 0.01 0.00 0.13 0.00 0.00 42.46 42.36 2ezm s ILE 34 CO -0.00 -0.01 1.01 -0.62 -1.91 0.00 0.00 174.94 173.41 2ezm s ASP 35 N 0.01 6.87 0.00 4.50 -1.08 -1.26 -2.82 116.67 122.88 2ezm s ASP 35 Ca -0.00 0.96 0.31 0.00 -0.52 0.00 0.00 52.55 53.29 2ezm s ASP 35 Cb -0.01 -2.51 1.71 0.00 -1.46 0.00 0.00 42.92 40.64 2ezm s ASP 35 CO 0.00 -0.83 2.14 0.18 0.52 0.00 0.00 175.17 177.18 2ezm n LEU 36 N 6.73 0.00 -0.28 -1.34 4.77 -1.08 -3.67 117.00 122.13 2ezm n LEU 36 Ca 0.10 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2ezm n LEU 36 Cb 0.47 -0.15 0.20 0.00 -2.33 0.00 0.00 43.42 41.62 2ezm n LEU 36 CO 0.57 -0.00 1.26 -1.13 -1.33 0.00 0.00 177.39 176.76 2ezm h ASN 37 N 0.00 0.97 0.00 -1.43 -0.73 -1.90 -1.25 115.58 111.24 2ezm h ASN 37 Ca 0.00 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.15 2ezm h ASN 37 Cb 0.15 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.50 2ezm h ASN 37 CO 0.00 0.69 0.00 -1.54 -0.37 0.00 0.00 177.43 176.21 2ezm n SER 38 N -4.42 0.00 0.00 1.15 3.41 -1.24 -3.51 113.62 109.01 2ezm n SER 38 Ca 0.10 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 2ezm n SER 38 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 2ezm n SER 38 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2ezm n VAL 39 N -0.81 0.00 -4.81 -3.33 0.24 -0.53 -3.88 118.33 105.21 2ezm n VAL 39 Ca 0.09 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.34 61.96 2ezm n VAL 39 Cb 0.04 1.39 -0.14 0.00 -1.47 0.00 0.00 33.84 33.67 2ezm n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2ezm s ILE 40 N -0.10 3.06 0.20 1.34 1.01 -0.85 0.23 121.20 126.09 2ezm s ILE 40 Ca 0.00 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.07 2ezm s ILE 40 Cb 0.00 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 2ezm s ILE 40 CO 0.00 0.55 -0.21 -0.70 0.00 0.00 0.00 174.94 174.58 2ezm s GLU 41 N -0.02 1.44 -0.30 2.79 2.12 0.22 -3.46 118.70 121.50 2ezm s GLU 41 Ca -0.03 -1.52 -0.10 0.00 0.36 0.00 0.00 54.97 53.67 2ezm s GLU 41 Cb -0.14 -1.60 -0.03 0.00 0.26 0.00 0.00 34.13 32.63 2ezm s GLU 41 CO 0.04 0.33 0.17 1.21 -0.54 0.00 0.00 175.26 176.47 2ezm s ASN 42 N -2.83 5.76 -0.46 -1.70 2.47 -1.26 0.71 114.94 117.63 2ezm s ASN 42 Ca 0.20 -0.26 -0.04 0.00 0.42 0.00 0.00 52.86 53.18 2ezm s ASN 42 Cb -0.06 -2.06 0.12 0.00 -1.45 0.00 0.00 41.25 37.80 2ezm s ASN 42 CO 0.09 -0.13 0.28 -0.69 -3.72 0.00 0.00 177.10 172.94 2ezm s VAL 43 N 1.69 3.56 -1.64 -5.21 1.01 0.20 -4.74 120.40 115.27 2ezm s VAL 43 Ca 0.06 -2.16 -0.17 0.00 0.00 0.00 0.00 61.98 59.71 2ezm s VAL 43 Cb -0.16 -3.40 0.14 0.00 0.00 0.00 0.00 36.38 32.95 2ezm s VAL 43 CO 0.08 -0.74 0.83 -0.67 0.00 0.00 0.00 175.10 174.60 2ezm n ASP 44 N 4.46 -3.78 0.00 3.32 -0.08 -1.26 -2.17 116.55 117.03 2ezm n ASP 44 Ca -0.01 -0.91 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 2ezm n ASP 44 Cb 0.41 -3.07 0.00 0.00 2.34 0.00 0.00 41.12 40.80 2ezm n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ezm n GLY 45 N -1.45 2.09 3.30 0.27 0.00 -1.25 -4.59 105.19 103.56 2ezm n GLY 45 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 2ezm n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ezm s SER 46 N -1.83 2.90 0.00 1.61 0.15 -0.92 -4.69 113.70 110.92 2ezm s SER 46 Ca 0.00 -0.54 -0.30 0.00 0.70 0.00 0.00 55.95 55.81 2ezm s SER 46 Cb 0.00 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.01 2ezm s SER 46 CO 0.00 0.24 1.00 -0.76 1.20 0.00 0.00 173.24 174.91 2ezm s LEU 47 N -1.09 4.37 0.24 3.45 1.43 -1.26 0.60 118.68 126.43 2ezm s LEU 47 Ca 0.10 1.68 0.08 0.00 -1.03 0.00 0.00 54.13 54.96 2ezm s LEU 47 Cb -0.09 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2ezm s LEU 47 CO 0.01 -0.27 -0.12 -0.54 0.23 0.00 0.00 176.35 175.66 2ezm s LYS 48 N 1.01 1.44 -1.24 1.70 -0.14 0.22 -4.83 119.74 117.92 2ezm s LYS 48 Ca 0.52 -1.68 -0.20 0.00 -1.36 0.00 0.00 55.97 53.26 2ezm s LYS 48 Cb -0.22 -1.21 0.01 0.00 -1.68 0.00 0.00 37.83 34.74 2ezm s LYS 48 CO 0.28 0.15 1.79 -1.58 -0.76 0.00 0.00 175.35 175.23 2ezm s TRP 49 N -2.93 2.47 -0.28 3.18 0.52 -1.26 -0.25 118.94 120.39 2ezm s TRP 49 Ca 0.26 -0.85 -0.24 0.00 0.02 0.00 0.00 56.10 55.29 2ezm s TRP 49 Cb 0.00 -4.49 0.11 0.00 -1.15 0.00 0.00 33.47 27.94 2ezm s TRP 49 CO 0.09 -1.62 0.94 -1.14 0.02 0.00 0.00 176.95 175.25 2ezm s GLN 50 N 5.07 0.59 0.46 4.98 0.74 0.63 -4.88 119.66 127.26 2ezm s GLN 50 Ca 0.59 0.72 -0.24 0.00 0.05 0.00 0.00 55.36 56.48 2ezm s GLN 50 Cb 0.02 0.28 -0.07 0.00 1.10 0.00 0.00 33.01 34.33 2ezm s GLN 50 CO 0.08 -0.07 1.31 -1.25 -0.55 0.00 0.00 175.29 174.81 2ezm s PRO 51 N 0.36 3.67 0.00 1.67 0.04 -1.25 0.73 135.00 140.22 2ezm s PRO 51 Ca 0.01 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2ezm s PRO 51 Cb -0.05 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2ezm s PRO 51 CO -0.05 -0.74 0.00 0.45 0.04 0.00 0.00 177.00 176.70 2ezm n SER 52 N -0.34 0.00 -3.32 6.66 2.88 -1.24 -4.75 113.62 113.51 2ezm n SER 52 Ca 0.06 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.43 2ezm n SER 52 Cb 0.44 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.97 2ezm n SER 52 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2ezm n ASN 53 N 0.00 -6.33 -0.38 -3.46 2.85 -1.26 -4.88 115.26 101.80 2ezm n ASN 53 Ca 0.00 -0.75 -0.02 0.00 -0.11 0.00 0.00 54.58 53.70 2ezm n ASN 53 Cb 0.00 -4.94 0.11 0.00 1.24 0.00 0.00 39.78 36.19 2ezm n ASN 53 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 2ezm h PHE 54 N -1.22 1.27 -0.03 1.20 -0.00 -1.81 -1.78 116.94 114.56 2ezm h PHE 54 Ca -0.62 0.03 0.01 0.00 -0.00 0.00 0.00 57.97 57.39 2ezm h PHE 54 Cb 1.32 -0.43 -0.00 0.00 -0.00 0.00 0.00 35.95 36.84 2ezm h PHE 54 CO 0.31 0.80 0.12 0.97 -0.00 0.00 0.00 178.31 180.51 2ezm h ILE 55 N 1.36 0.13 -0.11 0.88 6.09 -1.89 0.83 117.51 124.79 2ezm h ILE 55 Ca 0.37 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.82 2ezm h ILE 55 Cb -0.16 0.89 -0.01 0.00 0.47 0.00 0.00 36.82 38.01 2ezm h ILE 55 CO -0.08 0.00 -0.10 -0.08 -3.07 0.00 0.00 178.15 174.82 2ezm h GLU 56 N 0.00 0.17 -0.07 2.19 4.81 -1.66 -2.89 114.58 117.12 2ezm h GLU 56 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ezm h GLU 56 Cb 0.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2ezm h GLU 56 CO -0.00 0.28 0.00 0.25 -0.73 0.00 0.00 179.01 178.81 2ezm n THR 57 N -4.33 1.83 -4.16 0.32 -2.24 0.21 -5.02 114.28 100.90 2ezm n THR 57 Ca -0.01 -1.97 -0.13 0.00 -2.27 0.00 0.00 64.05 59.66 2ezm n THR 57 Cb 0.23 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.23 2ezm n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ezm s ARG 59 N -2.86 1.74 -1.41 0.00 1.70 -0.79 -4.75 118.95 112.58 2ezm s ARG 59 Ca 0.05 -1.95 -0.00 0.00 -0.47 0.00 0.00 55.73 53.36 2ezm s ARG 59 Cb -0.02 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2ezm s ARG 59 CO -0.01 -0.65 0.40 -1.71 -1.08 0.00 0.00 175.30 172.24 2ezm n ASN 60 N -1.44 -0.25 -4.72 -2.89 5.15 -1.26 -2.76 115.26 107.09 2ezm n ASN 60 Ca 0.06 -1.02 -0.42 0.00 -0.60 0.00 0.00 54.58 52.61 2ezm n ASN 60 Cb 0.62 -2.99 -0.03 0.00 -0.53 0.00 0.00 39.78 36.85 2ezm n ASN 60 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ezm s THR 61 N -3.98 4.06 0.14 -0.44 -4.23 -1.26 -4.43 115.64 105.50 2ezm s THR 61 Ca 0.01 1.58 -0.11 0.00 -1.18 0.00 0.00 61.69 61.99 2ezm s THR 61 Cb -0.00 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.83 2ezm s THR 61 CO 0.89 0.18 0.30 -1.58 -0.54 0.00 0.00 174.62 173.87 2ezm s GLN 62 N 0.51 1.06 -0.10 3.99 0.74 -0.73 -4.55 119.66 120.58 2ezm s GLN 62 Ca 0.54 -0.99 -0.24 0.00 0.05 0.00 0.00 55.36 54.72 2ezm s GLN 62 Cb -0.28 0.40 -0.03 0.00 1.10 0.00 0.00 33.01 34.19 2ezm s GLN 62 CO 0.31 -0.39 0.75 -1.17 -0.55 0.00 0.00 175.29 174.25 2ezm s LEU 63 N -2.89 4.26 -0.10 3.68 2.96 -1.26 -2.26 118.68 123.07 2ezm s LEU 63 Ca 0.10 1.19 0.04 0.00 -0.22 0.00 0.00 54.13 55.23 2ezm s LEU 63 Cb 0.03 -3.14 -0.00 0.00 0.50 0.00 0.00 46.19 43.58 2ezm s LEU 63 CO -0.06 -0.22 -0.24 0.00 -1.32 0.00 0.00 176.35 174.51 2ezm s ALA 64 N 1.31 2.19 0.00 5.97 0.00 0.12 -4.88 121.76 126.46 2ezm s ALA 64 Ca 0.38 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2ezm s ALA 64 Cb -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2ezm s ALA 64 CO 0.16 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2ezm n GLY 65 N 3.53 0.56 0.14 0.00 0.00 -1.26 -1.73 105.19 106.43 2ezm n GLY 65 Ca -0.19 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 2ezm n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ezm h SER 66 N 8.30 0.41 0.00 1.61 0.02 -2.03 -3.42 113.55 118.43 2ezm h SER 66 Ca 0.00 -0.89 0.00 0.00 -0.84 0.00 0.00 61.79 60.06 2ezm h SER 66 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2ezm h SER 66 CO 0.00 1.80 0.00 -1.54 -1.14 0.00 0.00 176.83 175.95 2ezm n SER 67 N -3.46 0.61 -4.87 3.07 3.41 -1.26 -4.95 113.62 106.17 2ezm n SER 67 Ca -0.30 -1.29 -0.37 0.00 -0.26 0.00 0.00 58.87 56.65 2ezm n SER 67 Cb 1.05 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.94 2ezm n SER 67 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ezm s GLU 68 N -0.29 3.50 -0.23 4.33 2.02 -0.70 -1.61 118.70 125.72 2ezm s GLU 68 Ca 0.00 -0.06 -0.05 0.00 0.02 0.00 0.00 54.97 54.87 2ezm s GLU 68 Cb 0.00 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 2ezm s GLU 68 CO 0.00 0.77 0.01 -1.17 0.02 0.00 0.00 175.26 174.88 2ezm s LEU 69 N -1.04 3.13 -0.08 1.80 2.96 -0.98 0.12 118.68 124.57 2ezm s LEU 69 Ca 0.16 -0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2ezm s LEU 69 Cb -0.13 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2ezm s LEU 69 CO 0.05 -0.02 0.03 0.00 -1.32 0.00 0.00 176.35 175.09 2ezm s ALA 70 N 1.53 3.40 0.33 5.97 0.00 -0.96 -2.56 121.76 129.47 2ezm s ALA 70 Ca 0.06 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 2ezm s ALA 70 Cb -0.15 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.43 2ezm s ALA 70 CO -0.00 0.60 0.65 0.00 0.00 0.00 0.00 175.76 177.01 2ezm s ALA 71 N -0.93 -0.44 -0.09 0.00 0.00 -0.66 -1.78 121.76 117.85 2ezm s ALA 71 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.31 2ezm s ALA 71 Cb -0.11 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 2ezm s ALA 71 CO 0.04 -0.93 -0.21 -1.21 0.00 0.00 0.00 175.76 173.44 2ezm s GLU 72 N -3.17 2.92 0.05 0.00 2.02 -1.11 -1.04 118.70 118.37 2ezm s GLU 72 Ca 0.19 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.39 2ezm s GLU 72 Cb -0.03 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 2ezm s GLU 72 CO 0.12 0.29 -0.11 0.00 0.02 0.00 0.00 175.26 175.57 2ezm s LYS 74 N -1.43 4.48 0.64 0.00 1.02 -0.99 -2.46 119.74 121.01 2ezm s LYS 74 Ca -0.04 1.82 -0.01 0.00 0.02 0.00 0.00 55.97 57.77 2ezm s LYS 74 Cb -0.09 -3.28 0.08 0.00 -0.52 0.00 0.00 37.83 34.02 2ezm s LYS 74 CO 0.01 -0.13 0.90 0.95 -0.92 0.00 0.00 175.35 176.16 2ezm s THR 75 N 0.33 2.39 0.63 2.17 -4.23 -0.68 -3.87 115.64 112.39 2ezm s THR 75 Ca 0.55 -0.58 0.36 0.00 -1.18 0.00 0.00 61.69 60.84 2ezm s THR 75 Cb -0.31 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 71.10 2ezm s THR 75 CO 0.34 0.00 2.24 0.03 -0.54 0.00 0.00 174.62 176.69 2ezm h ARG 76 N -0.27 0.00 -0.15 3.99 3.08 -1.91 0.79 114.38 119.91 2ezm h ARG 76 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 2ezm h ARG 76 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2ezm h ARG 76 CO 0.48 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 2ezm n ALA 77 N -2.17 2.48 -2.86 0.04 0.00 -1.26 -4.87 120.51 111.87 2ezm n ALA 77 Ca -0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 53.44 53.00 2ezm n ALA 77 Cb 0.15 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.64 2ezm n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ezm n GLN 78 N -0.08 -3.85 -5.18 0.00 1.13 0.27 -5.02 117.38 104.64 2ezm n GLN 78 Ca 0.05 0.68 -0.31 0.00 -1.94 0.00 0.00 57.00 55.49 2ezm n GLN 78 Cb 0.12 -5.08 -0.16 0.00 0.11 0.00 0.00 30.24 25.24 2ezm n GLN 78 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2ezm s GLN 79 N -5.44 2.00 -0.17 -1.09 0.74 -1.26 -4.87 119.66 109.57 2ezm s GLN 79 Ca 0.24 -0.98 -0.23 0.00 0.05 0.00 0.00 55.36 54.44 2ezm s GLN 79 Cb -0.11 -2.01 -0.02 0.00 1.10 0.00 0.00 33.01 31.97 2ezm s GLN 79 CO 0.30 0.54 0.71 -0.06 -0.55 0.00 0.00 175.29 176.23 2ezm s PHE 80 N -0.67 3.42 0.24 1.67 0.08 -1.26 -1.68 117.98 119.77 2ezm s PHE 80 Ca 0.10 1.09 0.08 0.00 0.12 0.00 0.00 56.93 58.32 2ezm s PHE 80 Cb -0.10 -2.88 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 2ezm s PHE 80 CO -0.00 -0.16 -0.12 0.14 -0.10 0.00 0.00 175.22 174.98 2ezm s VAL 81 N 1.85 1.77 0.09 -0.44 -7.23 -1.03 -4.88 120.40 110.52 2ezm s VAL 81 Ca 0.33 -2.20 -0.31 0.00 -1.81 0.00 0.00 61.98 57.99 2ezm s VAL 81 Cb -0.16 -2.20 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 2ezm s VAL 81 CO 0.12 -0.48 1.27 -0.55 -0.31 0.00 0.00 175.10 175.15 2ezm s SER 82 N -3.37 6.98 0.09 4.85 0.15 -1.26 -2.43 113.70 118.71 2ezm s SER 82 Ca 0.25 2.14 0.02 0.00 0.70 0.00 0.00 55.95 59.07 2ezm s SER 82 Cb 0.00 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2ezm s SER 82 CO 0.09 -0.54 -0.08 0.28 1.20 0.00 0.00 173.24 174.20 2ezm s THR 83 N 1.05 0.73 0.14 6.45 -1.32 -0.21 -4.94 115.64 117.54 2ezm s THR 83 Ca 0.61 -1.74 -0.18 0.00 -1.21 0.00 0.00 61.69 59.16 2ezm s THR 83 Cb -0.32 -1.45 0.05 0.00 -1.51 0.00 0.00 72.50 69.26 2ezm s THR 83 CO 0.30 -0.73 0.47 -1.59 -2.21 0.00 0.00 174.62 170.86 2ezm s LYS 84 N -3.26 1.15 -0.03 7.08 -2.85 -1.26 -1.65 119.74 118.91 2ezm s LYS 84 Ca 0.07 -0.64 -0.13 0.00 -1.00 0.00 0.00 55.97 54.27 2ezm s LYS 84 Cb 0.01 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.31 2ezm s LYS 84 CO -0.03 -0.47 0.29 -1.50 0.10 0.00 0.00 175.35 173.74 2ezm s ILE 85 N -3.79 0.05 -0.40 3.79 2.07 -1.06 -4.65 121.20 117.22 2ezm s ILE 85 Ca 0.03 -0.41 -0.23 0.00 -1.41 0.00 0.00 60.65 58.62 2ezm s ILE 85 Cb 0.01 -0.56 0.02 0.00 0.13 0.00 0.00 42.46 42.05 2ezm s ILE 85 CO -0.12 -0.23 0.79 0.21 -1.91 0.00 0.00 174.94 173.68 2ezm s ASN 86 N -1.06 6.50 0.55 4.50 3.84 -1.26 -2.33 114.94 125.68 2ezm s ASN 86 Ca -0.11 0.19 0.33 0.00 0.21 0.00 0.00 52.86 53.48 2ezm s ASN 86 Cb -0.05 -2.39 1.51 0.00 -0.55 0.00 0.00 41.25 39.77 2ezm s ASN 86 CO 0.03 -0.80 2.05 -0.07 -2.79 0.00 0.00 177.10 175.52 2ezm h LEU 87 N 9.90 0.00 -0.65 3.21 3.38 -1.67 -2.83 115.31 126.65 2ezm h LEU 87 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2ezm h LEU 87 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2ezm h LEU 87 CO 0.93 0.06 0.00 0.47 0.09 0.00 0.00 178.44 179.99 2ezm n ASP 88 N -3.23 0.51 -0.30 -0.43 8.00 -1.26 -2.25 116.55 117.59 2ezm n ASP 88 Ca -0.01 0.64 -0.05 0.00 0.71 0.00 0.00 54.79 56.09 2ezm n ASP 88 Cb 0.27 -0.74 0.08 0.00 -0.02 0.00 0.00 41.12 40.70 2ezm n ASP 88 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2ezm h ASP 89 N 0.00 1.10 0.00 -2.24 3.32 -1.75 -2.90 116.42 113.95 2ezm h ASP 89 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2ezm h ASP 89 Cb 0.28 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2ezm h ASP 89 CO 0.00 0.96 0.00 1.41 -1.72 0.00 0.00 179.24 179.89 2ezm n HIS 90 N -4.29 0.00 -2.80 4.55 8.25 -1.22 -4.26 115.22 115.45 2ezm n HIS 90 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.11 2ezm n HIS 90 Cb 0.17 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 2ezm n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2ezm s ILE 91 N -0.06 4.46 0.39 1.59 -1.09 -0.95 -1.89 121.20 123.64 2ezm s ILE 91 Ca 0.00 0.79 0.08 0.00 -2.23 0.00 0.00 60.65 59.29 2ezm s ILE 91 Cb 0.00 -4.44 -0.07 0.00 -1.58 0.00 0.00 42.46 36.36 2ezm s ILE 91 CO 0.00 -0.84 0.02 0.00 -1.23 0.00 0.00 174.94 172.89 2ezm s ALA 92 N 3.80 3.20 -0.31 9.38 0.00 -1.20 -2.79 121.76 133.83 2ezm s ALA 92 Ca 0.38 -2.21 -0.05 0.00 0.00 0.00 0.00 51.96 50.08 2ezm s ALA 92 Cb -0.10 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.06 2ezm s ALA 92 CO 0.26 -0.07 0.06 1.21 0.00 0.00 0.00 175.76 177.22 2ezm s ASN 93 N -3.72 5.08 -0.34 0.00 2.47 -1.26 -2.40 114.94 114.77 2ezm s ASN 93 Ca 0.35 -1.10 -0.03 0.00 0.42 0.00 0.00 52.86 52.51 2ezm s ASN 93 Cb 0.07 -1.81 0.07 0.00 -1.45 0.00 0.00 41.25 38.13 2ezm s ASN 93 CO 0.19 -0.27 0.08 -0.63 -3.72 0.00 0.00 177.10 172.74 2ezm s ILE 94 N 1.36 3.20 -1.19 -5.21 1.01 0.14 -4.63 121.20 115.89 2ezm s ILE 94 Ca -0.02 -1.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.07 2ezm s ILE 94 Cb -0.19 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2ezm s ILE 94 CO 0.01 -0.29 0.27 -0.67 0.00 0.00 0.00 174.94 174.26 2ezm n ASP 95 N 4.64 -4.75 0.00 3.58 -0.08 -1.26 -2.31 116.55 116.37 2ezm n ASP 95 Ca -0.10 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 2ezm n ASP 95 Cb 0.43 -3.71 0.00 0.00 2.34 0.00 0.00 41.12 40.18 2ezm n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ezm n GLY 96 N -1.20 0.85 3.32 0.27 0.00 -1.18 -4.51 105.19 102.75 2ezm n GLY 96 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2ezm n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ezm s THR 97 N -3.36 2.28 0.17 2.61 2.01 -0.98 -4.57 115.64 113.80 2ezm s THR 97 Ca 0.00 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 60.72 2ezm s THR 97 Cb 0.00 -1.83 -0.08 0.00 0.01 0.00 0.00 72.50 70.60 2ezm s THR 97 CO 0.00 0.57 0.85 -0.76 -0.69 0.00 0.00 174.62 174.60 2ezm s LEU 98 N -0.38 4.58 -0.14 4.42 1.43 -1.26 -0.68 118.68 126.65 2ezm s LEU 98 Ca 0.03 1.74 -0.08 0.00 -1.03 0.00 0.00 54.13 54.80 2ezm s LEU 98 Cb -0.12 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.72 2ezm s LEU 98 CO 0.02 0.13 0.34 -0.54 0.23 0.00 0.00 176.35 176.53 2ezm s LYS 99 N -0.88 0.31 0.31 1.70 1.02 -1.01 -4.93 119.74 116.26 2ezm s LYS 99 Ca 0.39 0.67 -0.29 0.00 0.02 0.00 0.00 55.97 56.76 2ezm s LYS 99 Cb -0.24 -0.06 -0.10 0.00 -0.52 0.00 0.00 37.83 36.91 2ezm s LYS 99 CO 0.28 -0.16 1.22 -0.47 -0.92 0.00 0.00 175.35 175.31 2ezm s TYR 100 N 1.30 3.27 0.00 3.18 6.14 -1.26 -3.25 117.35 126.73 2ezm s TYR 100 Ca -0.09 1.52 0.00 0.00 0.64 0.00 0.00 57.07 59.14 2ezm s TYR 100 Cb -0.09 -3.52 0.00 0.00 0.42 0.00 0.00 41.96 38.77 2ezm s TYR 100 CO -0.11 -1.33 0.00 -0.85 0.64 0.00 0.00 175.55 173.90