#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe0 n GLY 2 N 0.00 3.44 3.31 3.03 0.00 -1.26 -4.82 105.19 108.88 2fe0 n GLY 2 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2fe0 n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fe0 s GLY 4 N -2.00 2.94 0.00 0.00 0.00 -1.26 -4.71 107.32 102.29 2fe0 s GLY 4 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.20 2fe0 s GLY 4 CO 0.00 2.13 0.00 0.00 0.00 0.00 0.00 173.10 175.23 2fe0 n ALA 5 N 0.24 0.00 -1.38 3.20 0.00 -1.26 -4.49 120.51 116.82 2fe0 n ALA 5 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.12 2fe0 n ALA 5 Cb 0.41 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.95 2fe0 n ALA 5 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2fe0 s SER 6 N -4.00 4.14 0.00 0.00 0.01 -1.26 -4.90 113.70 107.69 2fe0 s SER 6 Ca 0.00 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2fe0 s SER 6 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2fe0 s SER 6 CO 0.00 -2.31 0.00 -1.54 0.41 0.00 0.00 173.24 169.80 2fe0 n SER 7 N -2.67 0.00 0.00 2.44 3.41 -1.26 -4.80 113.62 110.73 2fe0 n SER 7 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 2fe0 n SER 7 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2fe0 n SER 7 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2fe0 n GLU 8 N -0.08 0.00 -4.13 4.33 1.02 -1.26 -4.34 120.64 116.17 2fe0 n GLU 8 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 2fe0 n GLU 8 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 2fe0 n GLU 8 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2fe0 s ASN 9 N -4.00 0.64 0.37 1.62 2.20 -1.26 -5.03 114.94 109.48 2fe0 s ASN 9 Ca 0.00 -0.18 0.06 0.00 -0.94 0.00 0.00 52.86 51.80 2fe0 s ASN 9 Cb 0.00 -0.05 0.74 0.00 -2.00 0.00 0.00 41.25 39.94 2fe0 s ASN 9 CO 0.00 0.01 1.95 -1.28 -2.94 0.00 0.00 177.10 174.85 2fe0 h SER 10 N 5.73 0.43 -1.65 3.54 0.87 -2.00 -3.48 113.55 117.00 2fe0 h SER 10 Ca -0.29 -0.05 0.20 0.00 -1.23 0.00 0.00 61.79 60.41 2fe0 h SER 10 Cb 1.19 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.99 2fe0 h SER 10 CO 0.48 0.44 -0.27 -1.20 -0.53 0.00 0.00 176.83 175.75 2fe0 n SER 11 N -4.36 -4.30 -3.85 6.23 7.64 -1.26 -4.90 113.62 108.82 2fe0 n SER 11 Ca 0.02 0.30 -0.13 0.00 1.01 0.00 0.00 58.87 60.07 2fe0 n SER 11 Cb 0.18 -2.48 -0.14 0.00 -1.01 0.00 0.00 64.21 60.75 2fe0 n SER 11 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2fe0 s VAL 12 N -1.71 -0.01 -0.04 0.44 1.01 -1.26 -5.05 120.40 113.78 2fe0 s VAL 12 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.05 2fe0 s VAL 12 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.34 2fe0 s VAL 12 CO 0.00 0.02 -0.11 -0.89 0.00 0.00 0.00 175.10 174.11 2fe0 s THR 13 N 0.23 0.99 0.43 3.92 2.01 -1.26 -5.15 115.64 116.81 2fe0 s THR 13 Ca -0.02 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 61.59 2fe0 s THR 13 Cb -0.03 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.55 2fe0 s THR 13 CO -0.01 0.31 0.16 -0.31 -0.69 0.00 0.00 174.62 174.08 2fe0 s TYR 14 N 0.30 2.49 0.25 4.92 2.02 -1.26 -4.99 117.35 121.07 2fe0 s TYR 14 Ca -0.06 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 2fe0 s TYR 14 Cb -0.11 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.54 2fe0 s TYR 14 CO 0.02 0.18 0.00 1.55 -1.57 0.00 0.00 175.55 175.73 2fe0 n VAL 15 N -1.24 0.03 0.23 0.71 3.14 -1.26 -4.86 118.33 115.08 2fe0 n VAL 15 Ca -0.03 0.01 0.08 0.00 -2.96 0.00 0.00 64.34 61.44 2fe0 n VAL 15 Cb 0.65 -0.53 0.57 0.00 -1.06 0.00 0.00 33.84 33.47 2fe0 n VAL 15 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2fe0 h ASN 16 N 0.00 0.00 0.00 6.55 2.35 -1.97 -3.47 115.58 119.04 2fe0 h ASN 16 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2fe0 h ASN 16 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2fe0 h ASN 16 CO 0.00 0.17 0.00 0.61 -1.65 0.00 0.00 177.43 176.56 2fe0 n GLY 17 N -0.90 1.44 3.88 2.83 0.00 -1.26 -5.00 105.19 106.18 2fe0 n GLY 17 Ca -0.02 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 2fe0 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fe0 s ARG 18 N -2.00 3.77 0.21 1.61 1.81 -1.26 -4.82 118.95 118.28 2fe0 s ARG 18 Ca 0.00 0.21 -0.30 0.00 -1.72 0.00 0.00 55.73 53.93 2fe0 s ARG 18 Cb 0.00 -2.70 -0.08 0.00 -0.45 0.00 0.00 34.95 31.72 2fe0 s ARG 18 CO 0.00 0.35 1.17 -1.25 -0.68 0.00 0.00 175.30 174.90 2fe0 s PRO 19 N -2.74 4.53 0.09 3.54 0.04 -1.26 -4.92 135.00 134.27 2fe0 s PRO 19 Ca 0.46 1.86 0.22 0.00 0.04 0.00 0.00 61.00 63.58 2fe0 s PRO 19 Cb -0.12 -3.22 0.89 0.00 0.04 0.00 0.00 34.50 32.09 2fe0 s PRO 19 CO 0.22 -0.01 1.69 0.25 0.04 0.00 0.00 177.00 179.18 2fe0 n THR 20 N 2.13 0.64 -4.82 1.26 -2.24 -1.26 -4.64 114.28 105.35 2fe0 n THR 20 Ca 0.03 0.09 -0.28 0.00 -2.27 0.00 0.00 64.05 61.62 2fe0 n THR 20 Cb 0.45 -0.84 -0.17 0.00 -2.10 0.00 0.00 70.33 67.67 2fe0 n THR 20 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2fe0 s PHE 21 N -3.09 1.99 -0.06 4.78 5.36 -1.26 -5.12 117.98 120.59 2fe0 s PHE 21 Ca 0.09 -0.81 0.00 0.00 -0.96 0.00 0.00 56.93 55.25 2fe0 s PHE 21 Cb 0.12 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.44 2fe0 s PHE 21 CO 0.42 -0.37 -0.03 0.08 -1.46 0.00 0.00 175.22 173.86 2fe0 s VAL 22 N 0.58 0.50 0.00 3.12 1.01 -1.26 -5.00 120.40 119.35 2fe0 s VAL 22 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.79 2fe0 s VAL 22 Cb -0.17 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.64 2fe0 s VAL 22 CO 0.05 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.00 2fe0 n GLY 23 N 4.47 0.44 2.03 4.51 0.00 -1.26 -4.96 105.19 110.42 2fe0 n GLY 23 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2fe0 n GLY 23 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fe0 n GLU 24 N 0.00 0.00 -3.15 1.61 2.13 -0.22 -4.90 120.64 116.12 2fe0 n GLU 24 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 2fe0 n GLU 24 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 2fe0 n GLU 24 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2fe0 s GLU 25 N -2.00 4.13 -0.01 5.31 2.12 -1.11 -4.96 118.70 122.17 2fe0 s GLU 25 Ca 0.00 0.51 0.07 0.00 0.36 0.00 0.00 54.97 55.91 2fe0 s GLU 25 Cb 0.00 -3.63 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 2fe0 s GLU 25 CO 0.00 -0.35 -0.23 0.08 -0.54 0.00 0.00 175.26 174.22 2fe0 s VAL 26 N 2.30 1.79 0.28 3.70 1.01 -1.26 -1.81 120.40 126.41 2fe0 s VAL 26 Ca 0.25 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2fe0 s VAL 26 Cb -0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2fe0 s VAL 26 CO 0.09 0.49 0.14 0.42 0.00 0.00 0.00 175.10 176.24 2fe0 s THR 27 N -0.55 0.33 -0.36 3.92 -4.23 -1.01 -4.94 115.64 108.81 2fe0 s THR 27 Ca 0.09 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 2fe0 s THR 27 Cb -0.09 -2.55 0.11 0.00 1.34 0.00 0.00 72.50 71.32 2fe0 s THR 27 CO -0.01 0.00 0.13 -1.59 -0.54 0.00 0.00 174.62 172.61 2fe0 s LYS 28 N -3.92 1.14 0.01 3.99 -2.85 -1.26 -1.14 119.74 115.70 2fe0 s LYS 28 Ca 0.37 -1.62 -0.02 0.00 -1.00 0.00 0.00 55.97 53.70 2fe0 s LYS 28 Cb 0.06 -2.49 -0.01 0.00 -2.06 0.00 0.00 37.83 33.34 2fe0 s LYS 28 CO 0.16 -1.02 0.91 0.41 0.10 0.00 0.00 175.35 175.90 2fe0 n GLY 29 N 4.26 -2.68 3.71 0.59 0.00 -1.09 -4.13 105.19 105.85 2fe0 n GLY 29 Ca 0.03 0.56 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 2fe0 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2fe0 s PHE 30 N -3.22 3.61 -1.48 1.61 0.08 -1.25 -4.93 117.98 112.40 2fe0 s PHE 30 Ca -0.01 1.47 0.30 0.00 0.12 0.00 0.00 56.93 58.80 2fe0 s PHE 30 Cb 0.01 -2.96 1.42 0.00 -0.57 0.00 0.00 43.02 40.91 2fe0 s PHE 30 CO 0.05 0.03 1.99 -0.85 -0.10 0.00 0.00 175.22 176.33 2fe0 n GLU 31 N 3.90 0.49 -3.16 0.44 0.00 -1.26 -4.15 120.64 116.90 2fe0 n GLU 31 Ca 0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 57.16 56.83 2fe0 n GLU 31 Cb 0.51 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.42 2fe0 n GLU 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2fe0 s LYS 32 N -2.56 3.70 2.96 3.44 2.47 -1.26 -4.79 119.74 123.71 2fe0 s LYS 32 Ca 0.28 0.19 0.00 0.00 -1.56 0.00 0.00 55.97 54.88 2fe0 s LYS 32 Cb 0.20 -2.55 0.00 0.00 -1.46 0.00 0.00 37.83 34.02 2fe0 s LYS 32 CO 0.47 0.13 0.00 -0.25 0.16 0.00 0.00 175.35 175.86 2fe0 n ASP 33 N -1.03 -2.52 -1.64 1.43 8.00 -1.26 -2.69 116.55 116.84 2fe0 n ASP 33 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2fe0 n ASP 33 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 2fe0 n ASP 33 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2fe0 n ASN 34 N -3.05 5.48 0.00 -2.24 5.03 -1.26 -4.72 115.26 114.50 2fe0 n ASN 34 Ca 0.00 -2.51 0.00 0.00 0.87 0.00 0.00 54.58 52.94 2fe0 n ASN 34 Cb 0.00 -1.17 0.00 0.00 -1.02 0.00 0.00 39.78 37.59 2fe0 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2fe0 n GLY 35 N 1.52 1.64 5.05 7.41 0.00 -1.09 -4.74 105.19 114.97 2fe0 n GLY 35 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2fe0 n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fe0 n LEU 36 N 0.00 0.00 -4.71 0.99 4.77 -1.26 -3.97 117.00 112.81 2fe0 n LEU 36 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2fe0 n LEU 36 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 2fe0 n LEU 36 CO 0.00 0.00 -0.15 -0.22 -1.33 0.00 0.00 177.39 175.69 2fe0 s LEU 37 N 0.00 4.20 -0.08 2.23 2.96 -1.26 -3.82 118.68 122.90 2fe0 s LEU 37 Ca 0.00 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.18 2fe0 s LEU 37 Cb 0.00 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2fe0 s LEU 37 CO 0.00 0.14 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.70 2fe0 s PHE 38 N 0.54 2.82 -0.53 5.38 0.08 -1.25 -2.69 117.98 122.34 2fe0 s PHE 38 Ca 0.10 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 56.75 2fe0 s PHE 38 Cb -0.12 -1.73 0.11 0.00 -0.57 0.00 0.00 43.02 40.72 2fe0 s PHE 38 CO 0.00 0.12 0.50 0.50 -0.10 0.00 0.00 175.22 176.24 2fe0 s ARG 39 N -0.42 3.00 -0.12 0.44 3.52 -0.30 -3.53 118.95 121.54 2fe0 s ARG 39 Ca 0.05 -1.57 -0.18 0.00 -0.13 0.00 0.00 55.73 53.91 2fe0 s ARG 39 Cb -0.12 -4.25 -0.04 0.00 -1.56 0.00 0.00 34.95 28.97 2fe0 s ARG 39 CO 0.02 -1.28 0.46 0.42 -0.81 0.00 0.00 175.30 174.11 2fe0 s ILE 40 N 1.75 5.19 -0.07 4.11 1.01 -0.20 -2.39 121.20 130.61 2fe0 s ILE 40 Ca 0.04 0.91 0.01 0.00 0.00 0.00 0.00 60.65 61.61 2fe0 s ILE 40 Cb -0.28 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.42 2fe0 s ILE 40 CO 0.04 0.34 -0.08 -0.69 0.00 0.00 0.00 174.94 174.56 2fe0 s VAL 41 N 0.53 0.83 -0.40 2.92 1.01 -0.75 -0.54 120.40 124.00 2fe0 s VAL 41 Ca 0.25 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.88 2fe0 s VAL 41 Cb -0.15 -0.82 0.07 0.00 0.00 0.00 0.00 36.38 35.48 2fe0 s VAL 41 CO 0.10 0.30 0.23 0.21 0.00 0.00 0.00 175.10 175.93 2fe0 s ASN 42 N 1.02 5.56 0.56 3.32 3.84 -1.13 -1.05 114.94 127.06 2fe0 s ASN 42 Ca -0.09 -1.46 0.25 0.00 0.21 0.00 0.00 52.86 51.77 2fe0 s ASN 42 Cb -0.14 -1.96 1.51 0.00 -0.55 0.00 0.00 41.25 40.10 2fe0 s ASN 42 CO -0.00 -0.50 2.09 0.11 -2.79 0.00 0.00 177.10 176.02 2fe0 h LYS 43 N 8.35 0.00 0.15 0.43 1.57 -1.92 2.72 116.57 127.87 2fe0 h LYS 43 Ca -0.22 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2fe0 h LYS 43 Cb 1.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2fe0 h LYS 43 CO 0.72 0.00 -0.44 -0.22 -0.57 0.00 0.00 179.45 178.94 2fe0 h LYS 44 N 0.00 -0.64 -0.03 3.15 3.64 -1.98 -3.13 116.57 117.58 2fe0 h LYS 44 Ca 0.11 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2fe0 h LYS 44 Cb 0.49 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2fe0 h LYS 44 CO -0.00 -0.43 0.00 1.63 -2.27 0.00 0.00 179.45 178.38 2fe0 n LYS 45 N -4.96 1.30 -2.74 1.90 4.76 -1.03 -4.97 118.16 112.43 2fe0 n LYS 45 Ca -0.08 -1.49 -0.19 0.00 -2.87 0.00 0.00 58.31 53.68 2fe0 n LYS 45 Cb 0.35 -1.32 0.01 0.00 -1.84 0.00 0.00 35.03 32.23 2fe0 n LYS 45 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2fe0 n LYS 46 N 0.92 -3.03 -3.50 1.97 4.76 0.91 -4.37 118.16 115.83 2fe0 n LYS 46 Ca 0.10 0.79 -0.37 0.00 -2.87 0.00 0.00 58.31 55.96 2fe0 n LYS 46 Cb 0.41 -5.51 -0.08 0.00 -1.84 0.00 0.00 35.03 28.02 2fe0 n LYS 46 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2fe0 s GLN 47 N -5.38 4.19 0.18 1.97 -2.07 -1.14 -2.34 119.66 115.07 2fe0 s GLN 47 Ca 0.15 0.07 -0.21 0.00 -1.82 0.00 0.00 55.36 53.55 2fe0 s GLN 47 Cb -0.07 -3.49 -0.08 0.00 -1.09 0.00 0.00 33.01 28.28 2fe0 s GLN 47 CO 0.18 0.10 0.70 -1.58 -1.32 0.00 0.00 175.29 173.37 2fe0 s TRP 48 N 0.91 3.74 0.01 9.60 0.52 0.20 -2.82 118.94 131.10 2fe0 s TRP 48 Ca 0.16 1.41 -0.00 0.00 0.02 0.00 0.00 56.10 57.68 2fe0 s TRP 48 Cb -0.14 -2.62 -0.01 0.00 -1.15 0.00 0.00 33.47 29.55 2fe0 s TRP 48 CO 0.05 0.43 -0.01 0.00 0.02 0.00 0.00 176.95 177.44 2fe0 s ALA 49 N -1.35 0.06 -0.04 0.98 0.00 0.30 -1.29 121.76 120.41 2fe0 s ALA 49 Ca 0.38 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.97 2fe0 s ALA 49 Cb -0.19 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2fe0 s ALA 49 CO 0.22 -0.13 -0.20 0.71 0.00 0.00 0.00 175.76 176.36 2fe0 s TYR 50 N -1.11 1.94 -0.18 0.00 2.02 -1.23 -1.03 117.35 117.76 2fe0 s TYR 50 Ca -0.12 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.04 2fe0 s TYR 50 Cb -0.08 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.21 2fe0 s TYR 50 CO -0.01 -0.17 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.17 2fe0 s TYR 51 N -0.08 2.80 -0.05 2.71 5.04 -1.23 -3.80 117.35 122.74 2fe0 s TYR 51 Ca -0.02 -1.41 -0.18 0.00 -2.44 0.00 0.00 57.07 53.02 2fe0 s TYR 51 Cb -0.12 -1.94 -0.05 0.00 0.35 0.00 0.00 41.96 40.21 2fe0 s TYR 51 CO 0.02 -0.70 0.49 1.21 -1.34 0.00 0.00 175.55 175.24 2fe0 s ASN 52 N 1.21 6.81 -0.14 4.32 3.84 -1.26 -3.76 114.94 125.96 2fe0 s ASN 52 Ca 0.02 0.96 0.03 0.00 0.21 0.00 0.00 52.86 54.08 2fe0 s ASN 52 Cb -0.14 -2.30 -0.11 0.00 -0.55 0.00 0.00 41.25 38.15 2fe0 s ASN 52 CO -0.08 0.12 -0.10 -0.90 -2.79 0.00 0.00 177.10 173.35 2fe0 n ASP 53 N 2.89 2.70 -4.66 -4.21 5.75 -1.25 -3.46 116.55 114.32 2fe0 n ASP 53 Ca -0.09 -0.06 -0.44 0.00 -0.01 0.00 0.00 54.79 54.19 2fe0 n ASP 53 Cb 0.52 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.54 2fe0 n ASP 53 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2fe0 n THR 54 N -2.84 0.67 1.00 2.12 -2.24 -1.26 -4.66 114.28 107.08 2fe0 n THR 54 Ca -0.25 -0.17 0.12 0.00 -2.27 0.00 0.00 64.05 61.49 2fe0 n THR 54 Cb 0.80 -2.22 0.32 0.00 -2.10 0.00 0.00 70.33 67.13 2fe0 n THR 54 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2fe0 n THR 55 N 5.71 0.00 -0.09 4.28 -2.24 -1.26 -4.07 114.28 116.61 2fe0 n THR 55 Ca 0.22 -0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.77 2fe0 n THR 55 Cb 0.38 0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 2fe0 n THR 55 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2fe0 n GLN 56 N -1.50 0.64 -4.25 -0.78 7.27 -1.26 -4.97 117.38 112.54 2fe0 n GLN 56 Ca 0.06 0.33 -0.29 0.00 0.07 0.00 0.00 57.00 57.17 2fe0 n GLN 56 Cb 0.34 -1.63 -0.10 0.00 2.41 0.00 0.00 30.24 31.26 2fe0 n GLN 56 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2fe0 s TYR 57 N -2.48 2.70 0.19 3.69 2.02 -1.26 -3.43 117.35 118.77 2fe0 s TYR 57 Ca -0.31 -0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.14 2fe0 s TYR 57 Cb 0.09 -1.39 -0.06 0.00 -0.40 0.00 0.00 41.96 40.20 2fe0 s TYR 57 CO 0.62 0.44 0.47 -1.83 -1.57 0.00 0.00 175.55 173.68 2fe0 s GLU 58 N -2.37 3.70 -0.27 -0.62 -1.05 0.23 -4.53 118.70 113.79 2fe0 s GLU 58 Ca 0.22 0.07 -0.17 0.00 -0.15 0.00 0.00 54.97 54.94 2fe0 s GLU 58 Cb -0.10 -2.74 -0.03 0.00 -0.44 0.00 0.00 34.13 30.82 2fe0 s GLU 58 CO 0.14 0.38 0.49 -1.64 0.95 0.00 0.00 175.26 175.58 2fe0 s MET 59 N -2.81 4.04 -0.19 -4.83 -1.94 -0.92 -2.71 119.30 109.93 2fe0 s MET 59 Ca 0.44 0.26 -0.08 0.00 -1.71 0.00 0.00 55.69 54.60 2fe0 s MET 59 Cb -0.12 -3.66 -0.04 0.00 2.01 0.00 0.00 34.83 33.03 2fe0 s MET 59 CO 0.24 -0.35 0.07 -1.01 -0.01 0.00 0.00 175.02 173.95 2fe0 s HIS 60 N 2.28 3.23 -0.16 -0.03 3.76 -0.88 -1.06 115.29 122.43 2fe0 s HIS 60 Ca 0.20 0.03 -0.04 0.00 -0.15 0.00 0.00 55.06 55.10 2fe0 s HIS 60 Cb -0.16 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 2fe0 s HIS 60 CO 0.09 0.09 -0.02 0.08 -0.85 0.00 0.00 174.74 174.14 2fe0 s VAL 61 N 0.55 4.07 -0.34 -0.90 1.01 -0.81 -2.85 120.40 121.13 2fe0 s VAL 61 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 2fe0 s VAL 61 Cb -0.13 -2.79 0.14 0.00 0.00 0.00 0.00 36.38 33.60 2fe0 s VAL 61 CO 0.01 0.49 0.24 -0.22 0.00 0.00 0.00 175.10 175.61 2fe0 s LEU 62 N 0.35 0.58 -0.10 3.92 2.96 0.27 -2.37 118.68 124.30 2fe0 s LEU 62 Ca -0.03 -1.79 0.02 0.00 -0.22 0.00 0.00 54.13 52.11 2fe0 s LEU 62 Cb -0.14 -0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 2fe0 s LEU 62 CO 0.02 -0.33 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.87 2fe0 s VAL 63 N 1.43 2.76 -0.10 1.68 1.01 -1.20 -0.11 120.40 125.87 2fe0 s VAL 63 Ca 0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2fe0 s VAL 63 Cb -0.19 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2fe0 s VAL 63 CO -0.09 0.55 -0.07 -0.89 0.00 0.00 0.00 175.10 174.60 2fe0 s THR 64 N 0.05 3.66 0.22 3.92 2.01 0.18 -2.61 115.64 123.07 2fe0 s THR 64 Ca -0.06 -0.47 0.11 0.00 0.31 0.00 0.00 61.69 61.57 2fe0 s THR 64 Cb -0.15 -2.53 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2fe0 s THR 64 CO 0.05 0.55 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.98 2fe0 s PHE 65 N -0.27 2.38 0.61 4.92 0.40 0.15 -0.37 117.98 125.79 2fe0 s PHE 65 Ca 0.04 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.93 2fe0 s PHE 65 Cb -0.13 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.23 2fe0 s PHE 65 CO 0.02 0.57 1.02 1.21 0.70 0.00 0.00 175.22 178.75 2fe0 s ASN 66 N -3.00 6.26 0.30 1.36 2.47 -1.26 0.89 114.94 121.97 2fe0 s ASN 66 Ca 0.25 1.45 0.06 0.00 0.42 0.00 0.00 52.86 55.04 2fe0 s ASN 66 Cb -0.07 -2.48 0.79 0.00 -1.45 0.00 0.00 41.25 38.04 2fe0 s ASN 66 CO 0.13 -0.85 1.72 -0.08 -3.72 0.00 0.00 177.10 174.31 2fe0 h GLU 67 N -0.16 0.52 -4.08 0.43 4.81 -1.40 -2.95 114.58 111.75 2fe0 h GLU 67 Ca -0.44 -0.03 -0.71 0.00 -0.13 0.00 0.00 59.36 58.05 2fe0 h GLU 67 Cb 1.19 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2fe0 h GLU 67 CO 0.62 0.35 3.08 -3.47 -0.73 0.00 0.00 179.01 178.86 2fe0 n ASP 68 N -4.93 3.88 -3.41 1.04 2.03 -1.26 -4.78 116.55 109.12 2fe0 n ASP 68 Ca 0.24 -2.84 -0.05 0.00 0.52 0.00 0.00 54.79 52.66 2fe0 n ASP 68 Cb 0.67 -1.65 -0.06 0.00 -0.72 0.00 0.00 41.12 39.35 2fe0 n ASP 68 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2fe0 n ASP 70 N 5.39 4.54 -4.43 0.00 2.03 -1.15 -4.92 116.55 118.00 2fe0 n ASP 70 Ca -0.05 -2.88 -0.25 0.00 0.52 0.00 0.00 54.79 52.13 2fe0 n ASP 70 Cb 0.50 -1.72 -0.11 0.00 -0.72 0.00 0.00 41.12 39.07 2fe0 n ASP 70 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2fe0 s ILE 71 N 4.75 2.36 0.08 5.18 -4.36 -1.25 0.13 121.20 128.09 2fe0 s ILE 71 Ca 0.54 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2fe0 s ILE 71 Cb 0.05 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 2fe0 s ILE 71 CO 0.06 -0.24 -0.04 -0.75 0.24 0.00 0.00 174.94 174.21 2fe0 s LYS 72 N -2.99 0.75 0.04 0.37 2.20 0.25 -4.96 119.74 115.40 2fe0 s LYS 72 Ca 0.24 -1.30 -0.19 0.00 -0.36 0.00 0.00 55.97 54.36 2fe0 s LYS 72 Cb -0.07 0.00 -0.06 0.00 -1.51 0.00 0.00 37.83 36.19 2fe0 s LYS 72 CO 0.11 -0.08 0.55 0.00 -0.36 0.00 0.00 175.35 175.57 2fe0 s ALA 73 N -3.78 3.58 0.00 3.13 0.00 -1.26 -1.43 121.76 122.00 2fe0 s ALA 73 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2fe0 s ALA 73 Cb 0.07 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.57 2fe0 s ALA 73 CO -0.06 0.36 0.00 1.28 0.00 0.00 0.00 175.76 177.33 2fe0 n LEU 74 N 1.97 0.00 0.00 0.00 4.77 -0.81 -4.88 117.00 118.05 2fe0 n LEU 74 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2fe0 n LEU 74 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2fe0 n LEU 74 CO 0.41 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2fe0 n GLY 75 N 4.08 -2.72 0.00 -0.72 0.00 -1.26 -4.63 105.19 99.95 2fe0 n GLY 75 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.26 2fe0 n GLY 75 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2fe0 n LYS 76 N 0.00 0.33 -1.64 1.61 2.85 -1.26 -4.80 118.16 115.24 2fe0 n LYS 76 Ca 0.00 0.08 -0.59 0.00 -1.05 0.00 0.00 58.31 56.75 2fe0 n LYS 76 Cb 0.00 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 2fe0 n LYS 76 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2fe0 n THR 77 N -1.14 0.22 -2.58 0.58 -1.04 -1.26 -4.86 114.28 104.19 2fe0 n THR 77 Ca 0.09 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.60 2fe0 n THR 77 Cb 0.08 -1.10 -0.02 0.00 -1.82 0.00 0.00 70.33 67.47 2fe0 n THR 77 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2fe0 s LYS 78 N 4.05 4.35 -0.11 -2.82 2.20 -1.19 -4.64 119.74 121.58 2fe0 s LYS 78 Ca 1.03 1.50 0.02 0.00 -0.36 0.00 0.00 55.97 58.16 2fe0 s LYS 78 Cb -1.15 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 31.57 2fe0 s LYS 78 CO 0.66 -0.46 -0.19 -1.17 -0.36 0.00 0.00 175.35 173.83 2fe0 s LEU 79 N 2.48 2.35 0.04 5.43 2.96 -1.26 -3.35 118.68 127.33 2fe0 s LEU 79 Ca 0.50 -0.46 -0.18 0.00 -0.22 0.00 0.00 54.13 53.77 2fe0 s LEU 79 Cb -0.20 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.03 2fe0 s LEU 79 CO 0.16 0.16 0.40 -1.83 -1.32 0.00 0.00 176.35 173.92 2fe0 s GLU 80 N 0.35 0.89 0.10 1.98 -1.05 -1.05 -5.01 118.70 114.92 2fe0 s GLU 80 Ca -0.15 -0.35 0.05 0.00 -0.15 0.00 0.00 54.97 54.37 2fe0 s GLU 80 Cb -0.17 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 2fe0 s GLU 80 CO 0.07 -0.30 0.03 -1.14 0.95 0.00 0.00 175.26 174.88 2fe0 s GLN 81 N -2.35 2.64 0.40 -4.83 0.74 -1.26 -1.35 119.66 113.66 2fe0 s GLN 81 Ca -0.06 -0.82 0.08 0.00 0.05 0.00 0.00 55.36 54.60 2fe0 s GLN 81 Cb -0.01 -2.58 -0.01 0.00 1.10 0.00 0.00 33.01 31.51 2fe0 s GLN 81 CO -0.02 0.54 0.44 -0.65 -0.55 0.00 0.00 175.29 175.05 2fe0 s GLN 82 N -2.44 2.70 0.26 1.67 -1.52 -0.21 -4.96 119.66 115.17 2fe0 s GLN 82 Ca 0.27 -1.37 -0.02 0.00 -1.95 0.00 0.00 55.36 52.30 2fe0 s GLN 82 Cb -0.12 -2.55 0.33 0.00 -0.22 0.00 0.00 33.01 30.46 2fe0 s GLN 82 CO 0.20 -0.16 1.76 1.49 -0.25 0.00 0.00 175.29 178.33 2fe0 h GLU 83 N 0.92 0.80 -0.07 2.91 4.81 -2.00 -2.14 114.58 119.80 2fe0 h GLU 83 Ca -0.42 -0.21 0.02 0.00 -0.13 0.00 0.00 59.36 58.62 2fe0 h GLU 83 Cb 1.27 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2fe0 h GLU 83 CO 0.53 0.80 0.09 -2.95 -0.73 0.00 0.00 179.01 176.75 2fe0 h ASN 84 N 0.74 0.00 0.00 1.04 -0.00 -2.05 -3.45 115.58 111.86 2fe0 h ASN 84 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 2fe0 h ASN 84 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.77 2fe0 h ASN 84 CO 0.02 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.06 2fe0 n GLY 85 N -1.33 0.68 3.03 9.14 0.00 -0.81 -5.00 105.19 110.91 2fe0 n GLY 85 Ca -0.01 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.55 2fe0 n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fe0 s GLU 86 N -0.33 0.42 -0.09 1.61 2.02 -1.25 -1.01 118.70 120.07 2fe0 s GLU 86 Ca 0.00 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.24 2fe0 s GLU 86 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.35 2fe0 s GLU 86 CO 0.00 -0.08 0.03 -1.58 0.02 0.00 0.00 175.26 173.64 2fe0 s TRP 87 N -2.08 3.23 -0.03 1.61 0.52 0.26 -1.05 118.94 121.41 2fe0 s TRP 87 Ca -0.10 0.24 0.05 0.00 0.02 0.00 0.00 56.10 56.31 2fe0 s TRP 87 Cb -0.05 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 2fe0 s TRP 87 CO -0.03 0.50 -0.19 0.08 0.02 0.00 0.00 176.95 177.33 2fe0 s VAL 88 N -0.86 1.56 -0.23 4.03 1.01 -0.45 0.29 120.40 125.75 2fe0 s VAL 88 Ca 0.13 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2fe0 s VAL 88 Cb -0.11 -1.32 0.09 0.00 0.00 0.00 0.00 36.38 35.03 2fe0 s VAL 88 CO 0.03 0.44 0.14 0.00 0.00 0.00 0.00 175.10 175.71 2fe0 s ALA 89 N -0.22 0.32 0.03 5.51 0.00 -1.07 -2.54 121.76 123.79 2fe0 s ALA 89 Ca 0.02 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.55 2fe0 s ALA 89 Cb -0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2fe0 s ALA 89 CO 0.01 -1.39 -0.22 -1.54 0.00 0.00 0.00 175.76 172.62 2fe0 s SER 90 N 2.17 3.50 -0.21 0.00 1.04 -1.21 -3.26 113.70 115.73 2fe0 s SER 90 Ca 0.06 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 55.74 2fe0 s SER 90 Cb -0.16 -0.48 0.09 0.00 0.10 0.00 0.00 66.02 65.57 2fe0 s SER 90 CO -0.21 0.27 0.80 0.54 0.98 0.00 0.00 173.24 175.61 2fe0 s VAL 91 N -0.84 0.00 -0.13 5.02 0.11 -1.00 -3.19 120.40 120.37 2fe0 s VAL 91 Ca 0.13 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.10 2fe0 s VAL 91 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.70 2fe0 s VAL 91 CO 0.03 0.00 0.16 -0.69 -3.33 0.00 0.00 175.10 171.27 2fe0 s VAL 92 N -0.16 5.45 -0.11 2.04 1.01 -1.26 -1.92 120.40 125.46 2fe0 s VAL 92 Ca -0.02 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.23 2fe0 s VAL 92 Cb -0.03 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2fe0 s VAL 92 CO 0.02 0.57 -0.19 -0.69 0.00 0.00 0.00 175.10 174.80 2fe0 s VAL 93 N -0.65 2.53 0.42 2.92 1.01 -0.22 -5.02 120.40 121.39 2fe0 s VAL 93 Ca 0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 2fe0 s VAL 93 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2fe0 s VAL 93 CO 0.03 0.55 0.68 -0.31 0.00 0.00 0.00 175.10 176.05 2fe0 s TYR 94 N 0.25 3.51 0.74 5.22 2.02 -1.26 -2.17 117.35 125.66 2fe0 s TYR 94 Ca -0.13 0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 57.03 2fe0 s TYR 94 Cb -0.16 -2.14 0.04 0.00 -0.40 0.00 0.00 41.96 39.30 2fe0 s TYR 94 CO 0.07 -0.12 1.10 -2.14 -1.57 0.00 0.00 175.55 172.88 2fe0 s PRO 95 N -4.56 2.41 -0.54 -1.71 0.02 -1.26 -2.96 135.00 126.40 2fe0 s PRO 95 Ca 0.44 1.26 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2fe0 s PRO 95 Cb -0.10 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.51 2fe0 s PRO 95 CO 0.41 -1.54 0.00 0.00 -0.33 0.00 0.00 177.00 175.54 2fe0 s GLU 97 N -2.15 0.56 -0.04 0.00 0.41 -1.16 -5.08 118.70 111.26 2fe0 s GLU 97 Ca 0.00 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 53.77 2fe0 s GLU 97 Cb 0.00 -0.28 0.00 0.00 -1.78 0.00 0.00 34.13 32.07 2fe0 s GLU 97 CO 0.00 0.04 -0.13 0.99 -0.49 0.00 0.00 175.26 175.67 2fe0 s THR 98 N -1.64 1.09 0.22 3.63 2.01 -1.26 -3.99 115.64 115.70 2fe0 s THR 98 Ca -0.07 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.45 2fe0 s THR 98 Cb -0.08 -0.96 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 2fe0 s THR 98 CO -0.00 0.33 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.58 2fe0 s GLU 99 N 0.17 1.33 0.41 4.92 0.41 -1.25 -5.05 118.70 119.65 2fe0 s GLU 99 Ca -0.04 -1.64 -0.10 0.00 -0.41 0.00 0.00 54.97 52.77 2fe0 s GLU 99 Cb -0.10 -0.84 -0.06 0.00 -1.78 0.00 0.00 34.13 31.34 2fe0 s GLU 99 CO 0.01 0.02 0.76 1.41 -0.49 0.00 0.00 175.26 176.98 2fe0 s MET 100 N -3.77 3.75 0.00 1.61 1.75 -1.26 -3.50 119.30 117.88 2fe0 s MET 100 Ca 0.25 0.43 0.00 0.00 -1.25 0.00 0.00 55.69 55.12 2fe0 s MET 100 Cb 0.03 -2.40 0.00 0.00 2.84 0.00 0.00 34.83 35.31 2fe0 s MET 100 CO 0.08 -0.04 0.00 0.34 -0.65 0.00 0.00 175.02 174.74 2fe0 n PHE 101 N -1.37 0.00 -4.16 4.11 7.35 -0.41 -4.04 117.46 118.94 2fe0 n PHE 101 Ca 0.02 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.60 2fe0 n PHE 101 Cb 0.54 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.27 2fe0 n PHE 101 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2fe0 s ILE 102 N 0.66 0.69 0.11 -2.13 -5.25 -1.24 -1.93 121.20 112.09 2fe0 s ILE 102 Ca 0.00 -1.88 0.03 0.00 -0.99 0.00 0.00 60.65 57.81 2fe0 s ILE 102 Cb 0.00 -1.62 -0.04 0.00 2.95 0.00 0.00 42.46 43.75 2fe0 s ILE 102 CO 0.00 -0.84 -0.09 -0.70 -1.79 0.00 0.00 174.94 171.52 2fe0 s GLU 103 N -3.69 0.88 0.00 0.37 -6.30 -0.51 0.58 118.70 110.03 2fe0 s GLU 103 Ca 0.10 -1.28 0.00 0.00 -2.50 0.00 0.00 54.97 51.30 2fe0 s GLU 103 Cb 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 34.13 33.74 2fe0 s GLU 103 CO -0.04 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2fe0 n GLY 104 N 0.19 0.57 3.84 -1.50 0.00 -0.99 0.85 105.19 108.15 2fe0 n GLY 104 Ca -0.13 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.27 2fe0 n GLY 104 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2fe0 s ARG 105 N -0.27 3.84 -0.05 1.61 3.52 0.35 -4.86 118.95 123.10 2fe0 s ARG 105 Ca 0.00 0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.94 2fe0 s ARG 105 Cb 0.00 -3.23 -0.01 0.00 -1.56 0.00 0.00 34.95 30.15 2fe0 s ARG 105 CO 0.00 0.68 -0.22 0.08 -0.81 0.00 0.00 175.30 175.03 2fe0 s VAL 106 N -0.96 1.78 -0.11 7.11 1.01 -1.26 -2.94 120.40 125.02 2fe0 s VAL 106 Ca 0.22 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2fe0 s VAL 106 Cb -0.16 -1.52 0.06 0.00 0.00 0.00 0.00 36.38 34.77 2fe0 s VAL 106 CO 0.11 0.50 0.20 0.54 0.00 0.00 0.00 175.10 176.45 2fe0 s ASN 107 N -0.08 0.69 -0.09 3.32 4.22 -1.26 -5.02 114.94 116.71 2fe0 s ASN 107 Ca -0.04 0.36 -0.06 0.00 -2.14 0.00 0.00 52.86 50.98 2fe0 s ASN 107 Cb -0.13 0.43 0.02 0.00 1.28 0.00 0.00 41.25 42.86 2fe0 s ASN 107 CO 0.03 -0.25 0.13 0.61 -2.04 0.00 0.00 177.10 175.58 2fe0 n GLY 108 N 5.33 -2.87 3.19 0.45 0.00 -1.26 -4.61 105.19 105.42 2fe0 n GLY 108 Ca -0.05 0.92 -0.09 0.00 0.00 0.00 0.00 46.02 46.80 2fe0 n GLY 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fe0 s PHE 109 N -0.35 0.19 -0.19 1.61 -0.71 -1.26 -4.01 117.98 113.25 2fe0 s PHE 109 Ca -0.15 -0.61 -0.06 0.00 -1.04 0.00 0.00 56.93 55.07 2fe0 s PHE 109 Cb 0.01 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.69 2fe0 s PHE 109 CO 0.40 -0.52 0.03 0.21 -1.34 0.00 0.00 175.22 174.00 2fe0 s LYS 110 N -3.76 3.81 -0.10 1.99 2.20 0.50 -4.97 119.74 119.41 2fe0 s LYS 110 Ca 0.04 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2fe0 s LYS 110 Cb 0.05 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.21 2fe0 s LYS 110 CO -0.10 0.17 -0.10 -1.12 -0.36 0.00 0.00 175.35 173.84 2fe0 s SER 111 N 0.60 4.29 -0.05 1.43 0.01 -1.26 0.47 113.70 119.19 2fe0 s SER 111 Ca 0.01 -0.19 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 2fe0 s SER 111 Cb -0.14 -1.32 0.04 0.00 0.21 0.00 0.00 66.02 64.81 2fe0 s SER 111 CO 0.02 0.26 0.09 -0.75 0.41 0.00 0.00 173.24 173.27 2fe0 s LYS 112 N -0.22 -0.01 0.25 12.44 2.47 0.84 -4.98 119.74 130.53 2fe0 s LYS 112 Ca 0.02 0.37 0.01 0.00 -1.56 0.00 0.00 55.97 54.81 2fe0 s LYS 112 Cb -0.13 -0.31 -0.05 0.00 -1.46 0.00 0.00 37.83 35.88 2fe0 s LYS 112 CO 0.03 -0.25 0.08 -1.64 0.16 0.00 0.00 175.35 173.74 2fe0 s MET 113 N 1.68 1.38 0.20 4.03 -1.94 -1.26 -0.57 119.30 122.82 2fe0 s MET 113 Ca -0.02 -1.74 -0.23 0.00 -1.71 0.00 0.00 55.69 51.99 2fe0 s MET 113 Cb -0.12 -0.28 0.06 0.00 2.01 0.00 0.00 34.83 36.50 2fe0 s MET 113 CO -0.04 -0.27 0.93 0.34 -0.01 0.00 0.00 175.02 175.96 2fe0 s ASP 114 N -3.30 -0.13 -0.46 3.03 2.15 -1.13 -5.02 116.67 111.81 2fe0 s ASP 114 Ca 0.36 -0.58 0.02 0.00 0.43 0.00 0.00 52.55 52.79 2fe0 s ASP 114 Cb 0.08 0.56 0.14 0.00 -0.30 0.00 0.00 42.92 43.40 2fe0 s ASP 114 CO 0.12 -1.07 0.25 0.00 -0.17 0.00 0.00 175.17 174.30 2fe0 s ALA 115 N -3.01 2.36 0.25 3.66 0.00 -1.26 -2.08 121.76 121.68 2fe0 s ALA 115 Ca 0.15 -2.73 -0.08 0.00 0.00 0.00 0.00 51.96 49.29 2fe0 s ALA 115 Cb -0.03 -1.93 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 2fe0 s ALA 115 CO 0.05 -2.06 0.55 -0.51 0.00 0.00 0.00 175.76 173.79 2fe0 s LEU 116 N 0.20 4.13 0.98 0.00 1.43 -1.10 -4.80 118.68 119.53 2fe0 s LEU 116 Ca 0.18 0.87 -0.15 0.00 -1.03 0.00 0.00 54.13 54.01 2fe0 s LEU 116 Cb -0.24 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.34 2fe0 s LEU 116 CO -0.01 -0.11 0.10 -2.65 0.23 0.00 0.00 176.35 173.92 2fe0 n PRO 117 N -0.36 -0.43 -2.76 1.29 -0.02 -1.26 -0.60 135.00 130.86 2fe0 n PRO 117 Ca 0.00 -0.10 -0.43 0.00 -2.02 0.00 0.00 63.50 60.96 2fe0 n PRO 117 Cb 0.53 -1.68 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 2fe0 n PRO 117 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2fe0 s LEU 118 N 0.55 3.90 1.07 2.45 1.43 -1.22 -4.40 118.68 122.46 2fe0 s LEU 118 Ca 0.53 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.55 2fe0 s LEU 118 Cb -0.18 -3.14 0.23 0.00 0.03 0.00 0.00 46.19 43.12 2fe0 s LEU 118 CO 0.70 -1.19 1.07 -0.44 0.23 0.00 0.00 176.35 176.72 2fe0 s SER 119 N 2.55 1.97 0.54 2.29 0.01 -1.26 -4.82 113.70 114.98 2fe0 s SER 119 Ca 0.38 1.25 0.26 0.00 1.31 0.00 0.00 55.95 59.15 2fe0 s SER 119 Cb -0.10 -1.96 1.44 0.00 0.21 0.00 0.00 66.02 65.61 2fe0 s SER 119 CO 0.25 -3.55 1.99 1.05 0.41 0.00 0.00 173.24 173.40 2fe0 h GLU 120 N -2.18 0.00 -0.94 12.44 4.11 -2.01 0.53 114.58 126.53 2fe0 h GLU 120 Ca -0.58 0.00 0.12 0.00 0.07 0.00 0.00 59.36 58.97 2fe0 h GLU 120 Cb 1.34 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.51 2fe0 h GLU 120 CO 0.56 0.00 0.60 1.49 0.07 0.00 0.00 179.01 181.73 2fe0 h GLU 121 N 0.00 0.86 -0.67 1.06 4.57 -2.00 -0.49 114.58 117.91 2fe0 h GLU 121 Ca 0.24 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 2fe0 h GLU 121 Cb 1.01 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 2fe0 h GLU 121 CO -0.00 0.57 0.28 -0.92 -1.18 0.00 0.00 179.01 177.76 2fe0 h TYR 122 N 0.88 1.01 -0.86 0.92 3.20 -1.20 -0.62 116.97 120.30 2fe0 h TYR 122 Ca 0.46 -0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.32 2fe0 h TYR 122 Cb 0.53 -0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 2fe0 h TYR 122 CO -0.00 0.78 0.53 0.00 -1.64 0.00 0.00 178.16 177.83 2fe0 h ARG 123 N 0.95 0.94 -0.27 1.82 3.08 -1.14 -1.57 114.38 118.18 2fe0 h ARG 123 Ca 0.23 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.06 2fe0 h ARG 123 Cb 0.19 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2fe0 h ARG 123 CO -0.02 0.62 -0.49 1.96 -1.07 0.00 0.00 179.97 180.97 2fe0 h GLN 124 N 0.97 0.73 -0.40 0.04 1.08 -1.06 -2.89 115.11 113.58 2fe0 h GLN 124 Ca 0.37 -0.43 0.12 0.00 -1.45 0.00 0.00 58.65 57.26 2fe0 h GLN 124 Cb 0.17 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2fe0 h GLN 124 CO -0.17 1.06 0.34 1.25 -0.95 0.00 0.00 178.83 180.35 2fe0 h HIS 125 N 0.58 0.00 0.00 2.96 -0.00 -0.13 0.29 115.15 118.86 2fe0 h HIS 125 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.38 2fe0 h HIS 125 Cb 1.06 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.47 2fe0 h HIS 125 CO 0.06 0.00 -0.09 1.96 -0.00 0.00 0.00 177.93 179.85 2fe0 h GLN 126 N 0.00 0.00 0.70 5.26 4.20 -1.23 0.11 115.11 124.15 2fe0 h GLN 126 Ca 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2fe0 h GLN 126 Cb 0.87 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.65 2fe0 h GLN 126 CO -0.00 0.09 -0.33 0.00 -0.67 0.00 0.00 178.83 177.92 2fe0 h ALA 127 N 1.91 -0.95 0.00 3.87 0.00 -0.55 -3.08 119.26 120.45 2fe0 h ALA 127 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2fe0 h ALA 127 Cb 0.20 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2fe0 h ALA 127 CO 0.01 -0.89 -0.06 1.05 0.00 0.00 0.00 179.25 179.37 2fe0 h GLU 128 N -1.22 0.00 -1.01 0.00 4.11 -1.60 -2.93 114.58 111.92 2fe0 h GLU 128 Ca -0.10 0.00 0.24 0.00 0.07 0.00 0.00 59.36 59.58 2fe0 h GLU 128 Cb 0.72 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 2fe0 h GLU 128 CO 0.16 0.06 0.64 -0.22 0.07 0.00 0.00 179.01 179.71 2fe0 h LYS 129 N 0.00 0.49 -5.55 1.06 3.64 -0.69 -3.47 116.57 112.05 2fe0 h LYS 129 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2fe0 h LYS 129 Cb 0.46 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2fe0 h LYS 129 CO 0.01 0.32 -1.01 -3.47 -2.27 0.00 0.00 179.45 173.03 2fe0 n ASP 130 N -4.70 -6.15 0.00 4.20 2.03 -1.11 -5.09 116.55 105.74 2fe0 n ASP 130 Ca 0.25 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.66 2fe0 n ASP 130 Cb 0.78 -3.94 0.00 0.00 -0.72 0.00 0.00 41.12 37.24 2fe0 n ASP 130 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45