#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dba s SER 2 N 0.00 5.72 0.31 1.61 0.01 -1.26 -5.08 113.70 115.02 2dba s SER 2 Ca 0.00 1.58 -0.14 0.00 1.31 0.00 0.00 55.95 58.70 2dba s SER 2 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.76 2dba s SER 2 CO 0.00 -1.21 0.62 -0.94 0.41 0.00 0.00 173.24 172.12 2dba s SER 3 N -3.78 0.08 0.00 2.44 1.04 -1.26 -5.01 113.70 107.20 2dba s SER 3 Ca 0.58 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2dba s SER 3 Cb -0.13 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2dba s SER 3 CO 0.52 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2dba n GLY 4 N -0.48 1.85 4.30 7.32 0.00 -1.26 -4.86 105.19 112.06 2dba n GLY 4 Ca -0.04 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2dba n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dba n SER 5 N 3.83 -1.13 -4.85 1.61 7.64 -1.26 -4.88 113.62 114.59 2dba n SER 5 Ca 0.00 -1.16 -0.36 0.00 1.01 0.00 0.00 58.87 58.36 2dba n SER 5 Cb 0.00 -1.48 -0.06 0.00 -1.01 0.00 0.00 64.21 61.66 2dba n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dba s SER 6 N -3.35 6.80 -0.11 6.43 0.01 -1.26 -5.09 113.70 117.13 2dba s SER 6 Ca 0.61 1.01 -0.22 0.00 1.31 0.00 0.00 55.95 58.66 2dba s SER 6 Cb -0.36 -2.26 0.05 0.00 0.21 0.00 0.00 66.02 63.66 2dba s SER 6 CO 0.95 0.16 0.54 -0.83 0.41 0.00 0.00 173.24 174.47 2dba s GLY 7 N -1.61 -0.41 0.22 3.44 0.00 -1.26 -5.16 107.32 102.55 2dba s GLY 7 Ca 0.34 1.19 -0.08 0.00 0.00 0.00 0.00 44.72 46.18 2dba s GLY 7 CO 0.18 0.93 0.51 -0.29 0.00 0.00 0.00 173.10 174.44 2dba s MET 8 N -0.58 3.73 -0.23 2.90 1.75 -1.26 -5.08 119.30 120.53 2dba s MET 8 Ca -0.07 0.14 -0.00 0.00 -1.25 0.00 0.00 55.69 54.52 2dba s MET 8 Cb -0.03 -2.69 0.06 0.00 2.84 0.00 0.00 34.83 35.01 2dba s MET 8 CO 0.05 0.33 -0.03 0.95 -0.65 0.00 0.00 175.02 175.66 2dba s THR 9 N -1.84 1.30 -0.21 10.11 -4.23 -1.26 -5.11 115.64 114.40 2dba s THR 9 Ca 0.45 -1.09 -0.19 0.00 -1.18 0.00 0.00 61.69 59.68 2dba s THR 9 Cb -0.11 -1.63 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 2dba s THR 9 CO 0.24 -0.14 0.55 0.68 -0.54 0.00 0.00 174.62 175.41 2dba s VAL 10 N 1.50 5.07 0.45 2.29 -7.23 -1.26 -5.03 120.40 116.19 2dba s VAL 10 Ca -0.04 1.02 -0.23 0.00 -1.81 0.00 0.00 61.98 60.92 2dba s VAL 10 Cb -0.18 -3.87 -0.10 0.00 0.56 0.00 0.00 36.38 32.78 2dba s VAL 10 CO -0.07 0.15 0.92 -0.24 -0.31 0.00 0.00 175.10 175.55 2dba n SER 11 N 4.95 0.83 -4.15 4.85 2.88 -1.26 -4.94 113.62 116.78 2dba n SER 11 Ca -0.04 0.98 -0.39 0.00 -1.33 0.00 0.00 58.87 58.10 2dba n SER 11 Cb 0.50 -1.32 -0.08 0.00 -0.75 0.00 0.00 64.21 62.57 2dba n SER 11 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dba s GLY 12 N -0.84 2.59 0.17 0.46 0.00 -1.26 -5.07 107.32 103.37 2dba s GLY 12 Ca 0.65 -3.33 -0.30 0.00 0.00 0.00 0.00 44.72 41.74 2dba s GLY 12 CO 0.56 1.14 1.32 2.56 0.00 0.00 0.00 173.10 178.68 2dba s PRO 13 N -0.12 4.37 -0.38 2.90 0.04 -1.26 -4.94 135.00 135.61 2dba s PRO 13 Ca 0.18 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.32 2dba s PRO 13 Cb -0.17 -3.21 0.31 0.00 0.04 0.00 0.00 34.50 31.46 2dba s PRO 13 CO -0.05 -0.29 1.26 0.41 0.04 0.00 0.00 177.00 178.37 2dba n GLY 14 N 2.65 -0.39 2.99 0.56 0.00 -1.26 -5.15 105.19 104.59 2dba n GLY 14 Ca 0.07 0.38 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 2dba n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dba s THR 15 N 0.14 0.19 0.81 2.61 -4.23 -1.26 -5.16 115.64 108.74 2dba s THR 15 Ca 0.20 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 2dba s THR 15 Cb 0.28 -0.31 0.08 0.00 1.34 0.00 0.00 72.50 73.89 2dba s THR 15 CO -0.12 -0.43 1.09 -2.16 -0.54 0.00 0.00 174.62 172.47 2dba s PRO 16 N -1.34 1.95 0.26 3.99 0.04 -1.26 -5.02 135.00 133.62 2dba s PRO 16 Ca -0.13 1.07 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 2dba s PRO 16 Cb -0.09 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2dba s PRO 16 CO -0.01 -1.83 0.82 -1.21 0.04 0.00 0.00 177.00 174.81 2dba s GLU 17 N -4.91 4.39 0.63 4.56 0.41 -1.26 -5.05 118.70 117.47 2dba s GLU 17 Ca 0.62 1.06 -0.16 0.00 -0.41 0.00 0.00 54.97 56.08 2dba s GLU 17 Cb -0.17 -2.85 -0.02 0.00 -1.78 0.00 0.00 34.13 29.31 2dba s GLU 17 CO 0.56 0.35 1.12 -1.25 -0.49 0.00 0.00 175.26 175.55 2dba s PRO 18 N -2.01 2.95 0.74 0.39 0.04 -1.26 -4.96 135.00 130.89 2dba s PRO 18 Ca 0.46 1.45 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2dba s PRO 18 Cb -0.17 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 2dba s PRO 18 CO 0.22 -1.14 -0.31 0.54 0.04 0.00 0.00 177.00 176.35 2dba n ARG 19 N -2.11 0.03 -2.20 4.56 1.74 -1.26 -4.83 116.66 112.59 2dba n ARG 19 Ca 0.11 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 2dba n ARG 19 Cb 0.52 -1.12 -0.03 0.00 -1.02 0.00 0.00 32.46 30.81 2dba n ARG 19 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dba s PRO 20 N -1.67 4.33 0.28 5.56 0.04 -1.26 -5.00 135.00 137.28 2dba s PRO 20 Ca 0.51 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.55 2dba s PRO 20 Cb -0.35 -3.30 0.01 0.00 0.04 0.00 0.00 34.50 30.91 2dba s PRO 20 CO 0.72 -0.44 0.43 0.00 0.04 0.00 0.00 177.00 177.75 2dba n ALA 21 N 4.13 -0.49 -3.62 8.56 0.00 -1.26 -5.18 120.51 122.64 2dba n ALA 21 Ca 0.11 -1.22 -0.14 0.00 0.00 0.00 0.00 53.44 52.20 2dba n ALA 21 Cb 0.43 0.98 -0.07 0.00 0.00 0.00 0.00 19.45 20.79 2dba n ALA 21 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2dba s THR 22 N -2.65 0.00 1.03 0.00 -1.32 -1.26 -5.17 115.64 106.27 2dba s THR 22 Ca 0.21 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.56 2dba s THR 22 Cb -0.01 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.18 2dba s THR 22 CO 0.15 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.49 2dba s PRO 23 N 0.13 0.17 0.00 7.08 0.04 -1.26 -5.03 135.00 136.13 2dba s PRO 23 Ca -0.01 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2dba s PRO 23 Cb -0.04 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2dba s PRO 23 CO 0.01 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.57 2dba n GLY 24 N -1.05 0.00 2.13 0.56 0.00 -1.26 -4.85 105.19 100.72 2dba n GLY 24 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2dba n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dba n ALA 25 N -2.51 5.10 -1.12 4.61 0.00 -1.26 -4.65 120.51 120.68 2dba n ALA 25 Ca 0.00 -2.61 -0.18 0.00 0.00 0.00 0.00 53.44 50.66 2dba n ALA 25 Cb 0.09 -1.35 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 2dba n ALA 25 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dba n SER 26 N -0.62 5.98 -4.62 0.00 7.64 -1.26 -3.18 113.62 117.57 2dba n SER 26 Ca 0.50 -2.88 -0.39 0.00 1.01 0.00 0.00 58.87 57.12 2dba n SER 26 Cb 1.54 -1.24 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 2dba n SER 26 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dba s SER 27 N 0.99 6.24 0.45 6.43 0.01 -1.26 -4.82 113.70 121.73 2dba s SER 27 Ca 0.50 0.27 0.36 0.00 1.31 0.00 0.00 55.95 58.39 2dba s SER 27 Cb 0.30 -2.19 1.48 0.00 0.21 0.00 0.00 66.02 65.81 2dba s SER 27 CO -0.09 -0.13 1.46 0.55 0.41 0.00 0.00 173.24 175.44 2dba n VAL 28 N 4.92 -0.15 -0.00 3.43 3.14 -1.26 0.21 118.33 128.62 2dba n VAL 28 Ca -0.10 1.59 -0.18 0.00 -2.96 0.00 0.00 64.34 62.69 2dba n VAL 28 Cb 0.51 -2.62 -0.09 0.00 -1.06 0.00 0.00 33.84 30.58 2dba n VAL 28 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2dba h GLU 29 N 0.00 0.63 0.00 1.45 4.39 -1.94 -3.12 114.58 115.98 2dba h GLU 29 Ca 0.85 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2dba h GLU 29 Cb 2.98 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 31.77 2dba h GLU 29 CO -0.29 1.19 -0.29 0.37 -1.16 0.00 0.00 179.01 178.84 2dba h GLN 30 N 0.26 0.00 -1.42 2.33 5.75 0.22 -3.38 115.11 118.88 2dba h GLN 30 Ca -0.07 0.00 0.49 0.00 -0.15 0.00 0.00 58.65 58.91 2dba h GLN 30 Cb 1.40 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.81 2dba h GLN 30 CO 0.15 0.00 0.92 1.47 -2.65 0.00 0.00 178.83 178.72 2dba n LEU 31 N -3.82 0.20 -0.26 -2.39 -0.00 0.38 -0.76 117.00 110.35 2dba n LEU 31 Ca -0.04 1.36 0.06 0.00 -0.00 0.00 0.00 56.01 57.40 2dba n LEU 31 Cb 0.15 -0.67 0.14 0.00 -0.00 0.00 0.00 43.42 43.04 2dba n LEU 31 CO 0.06 -1.48 0.51 -1.14 -0.00 0.00 0.00 177.39 175.34 2dba n ARG 32 N -4.67 -0.06 -0.17 1.47 0.63 -1.18 0.19 116.66 112.87 2dba n ARG 32 Ca 0.41 1.12 -0.01 0.00 -0.92 0.00 0.00 57.85 58.44 2dba n ARG 32 Cb 1.60 -1.70 0.08 0.00 0.45 0.00 0.00 32.46 32.89 2dba n ARG 32 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2dba h LYS 33 N 0.00 0.17 -1.02 -0.14 6.56 -1.21 -0.73 116.57 120.20 2dba h LYS 33 Ca 0.38 -0.01 0.41 0.00 -1.06 0.00 0.00 60.65 60.37 2dba h LYS 33 Cb 0.65 -0.04 -0.17 0.00 -0.57 0.00 0.00 32.23 32.10 2dba h LYS 33 CO -0.73 0.11 0.56 1.49 -2.06 0.00 0.00 179.45 178.83 2dba h GLU 34 N 0.17 0.04 0.58 3.15 4.57 0.18 0.27 114.58 123.55 2dba h GLU 34 Ca 0.27 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 2dba h GLU 34 Cb 0.41 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2dba h GLU 34 CO -0.41 0.03 -0.28 0.78 -1.18 0.00 0.00 179.01 177.96 2dba h GLY 35 N 0.05 -0.81 0.61 1.92 0.00 -1.14 -3.01 103.07 100.68 2dba h GLY 35 Ca 0.84 0.30 0.00 0.00 0.00 0.00 0.00 47.33 48.47 2dba h GLY 35 CO -0.73 -0.30 -0.34 3.43 0.00 0.00 0.00 176.54 178.60 2dba h ASN 36 N -1.08 -0.93 -0.96 0.19 2.35 -1.08 -1.96 115.58 112.11 2dba h ASN 36 Ca -0.08 0.08 0.32 0.00 -0.55 0.00 0.00 56.30 56.07 2dba h ASN 36 Cb 0.60 0.32 -0.18 0.00 0.05 0.00 0.00 38.32 39.11 2dba h ASN 36 CO 0.13 -0.47 0.21 -0.62 -1.65 0.00 0.00 177.43 175.02 2dba n GLU 37 N -5.45 -0.07 0.04 0.81 1.02 0.78 0.23 120.64 118.00 2dba n GLU 37 Ca -0.09 1.40 -0.06 0.00 -0.02 0.00 0.00 57.16 58.38 2dba n GLU 37 Cb 0.35 -2.32 0.12 0.00 -0.02 0.00 0.00 31.44 29.57 2dba n GLU 37 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2dba h LEU 38 N 0.00 0.43 0.21 -4.62 3.38 -1.27 -3.07 115.31 110.38 2dba h LEU 38 Ca 0.67 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.41 2dba h LEU 38 Cb 1.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.19 2dba h LEU 38 CO -0.84 0.87 -0.10 0.15 0.09 0.00 0.00 178.44 178.60 2dba h PHE 39 N 0.31 -0.26 0.00 1.13 3.57 0.37 0.19 116.94 122.24 2dba h PHE 39 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2dba h PHE 39 Cb 1.00 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2dba h PHE 39 CO 0.03 0.08 0.05 0.36 -2.23 0.00 0.00 178.31 176.61 2dba n LYS 40 N -5.06 0.04 -0.05 1.11 2.85 0.35 -0.65 118.16 116.76 2dba n LYS 40 Ca -0.09 0.51 -0.02 0.00 -1.05 0.00 0.00 58.31 57.66 2dba n LYS 40 Cb 0.24 -1.69 -0.12 0.00 -0.65 0.00 0.00 35.03 32.81 2dba n LYS 40 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dba n GLY 42 N 1.88 2.83 3.52 0.00 0.00 0.46 -5.05 105.19 108.83 2dba n GLY 42 Ca -0.18 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2dba n GLY 42 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dba n ASP 43 N 0.00 0.55 -0.07 1.61 9.92 -0.11 -4.74 116.55 123.70 2dba n ASP 43 Ca 0.00 -0.44 -0.12 0.00 -0.53 0.00 0.00 54.79 53.69 2dba n ASP 43 Cb 0.00 -1.10 -0.09 0.00 -0.64 0.00 0.00 41.12 39.29 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2dba h TYR 44 N 13.61 0.00 -1.23 1.24 0.05 -1.93 -2.75 116.97 125.96 2dba h TYR 44 Ca -0.06 0.00 0.36 0.00 0.05 0.00 0.00 58.73 59.07 2dba h TYR 44 Cb 1.20 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.85 2dba h TYR 44 CO 1.15 0.82 0.83 0.78 -1.05 0.00 0.00 178.16 180.68 2dba h GLY 45 N -1.00 0.81 0.00 3.88 0.00 -1.93 -2.21 103.07 102.62 2dba h GLY 45 Ca -0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2dba h GLY 45 CO -0.05 -0.16 -0.40 -1.33 0.00 0.00 0.00 176.54 174.60 2dba h GLY 46 N 0.17 0.00 -0.86 4.60 0.00 -1.95 -3.31 103.07 101.72 2dba h GLY 46 Ca 0.67 0.00 0.19 0.00 0.00 0.00 0.00 47.33 48.19 2dba h GLY 46 CO -0.23 0.00 -0.16 0.00 0.00 0.00 0.00 176.54 176.15 2dba n ALA 47 N -3.11 0.26 0.31 3.60 0.00 -0.88 -0.10 120.51 120.59 2dba n ALA 47 Ca -0.11 0.94 -0.17 0.00 0.00 0.00 0.00 53.44 54.10 2dba n ALA 47 Cb 0.32 -0.59 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 2dba n ALA 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2dba h LEU 48 N 0.00 -1.03 -0.99 0.00 7.12 -1.61 -2.83 115.31 115.97 2dba h LEU 48 Ca 0.43 0.07 0.17 0.00 0.13 0.00 0.00 57.88 58.69 2dba h LEU 48 Cb 0.72 0.32 -0.17 0.00 -0.53 0.00 0.00 40.66 41.01 2dba h LEU 48 CO -0.86 -0.59 -0.34 0.00 -0.13 0.00 0.00 178.44 176.52 2dba h ALA 49 N -0.59 0.34 -0.39 1.25 0.00 -0.59 0.32 119.26 119.59 2dba h ALA 49 Ca -0.06 0.32 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2dba h ALA 49 Cb 0.76 0.92 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 2dba h ALA 49 CO 0.02 -0.53 -0.16 0.00 0.00 0.00 0.00 179.25 178.57 2dba h ALA 50 N 1.60 0.16 -0.79 0.00 0.00 -1.20 -0.95 119.26 118.07 2dba h ALA 50 Ca 0.39 0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.56 2dba h ALA 50 Cb 0.64 0.40 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 2dba h ALA 50 CO -1.00 -0.52 0.42 1.88 0.00 0.00 0.00 179.25 180.03 2dba h TYR 51 N -0.08 0.75 -0.23 0.00 0.05 -0.18 -2.34 116.97 114.95 2dba h TYR 51 Ca 0.19 0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.06 2dba h TYR 51 Cb 0.38 -0.22 -0.07 0.00 1.01 0.00 0.00 36.73 37.82 2dba h TYR 51 CO -0.40 0.26 -0.34 1.15 -1.05 0.00 0.00 178.16 177.78 2dba h THR 52 N 0.68 0.25 0.19 -2.88 2.02 -0.26 -0.48 112.91 112.43 2dba h THR 52 Ca 0.40 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.59 2dba h THR 52 Cb 0.45 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 2dba h THR 52 CO -0.29 0.00 -0.52 1.56 0.37 0.00 0.00 175.52 176.65 2dba h GLN 53 N -0.36 -0.76 -0.65 6.66 4.20 -1.20 0.32 115.11 123.32 2dba h GLN 53 Ca 0.12 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.01 2dba h GLN 53 Cb 0.55 0.17 -0.12 0.00 0.30 0.00 0.00 27.48 28.38 2dba h GLN 53 CO -0.43 -0.51 -0.18 0.00 -0.67 0.00 0.00 178.83 177.05 2dba h ALA 54 N -0.55 0.40 -0.80 3.87 0.00 -1.23 0.11 119.26 121.06 2dba h ALA 54 Ca -0.01 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2dba h ALA 54 Cb 0.78 0.52 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2dba h ALA 54 CO -0.25 -0.44 0.36 -0.07 0.00 0.00 0.00 179.25 178.86 2dba h LEU 55 N -0.01 1.07 -0.62 0.00 3.38 -0.55 -2.89 115.31 115.69 2dba h LEU 55 Ca 0.31 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.23 2dba h LEU 55 Cb 0.49 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 2dba h LEU 55 CO -0.68 0.92 0.23 1.23 0.09 0.00 0.00 178.44 180.23 2dba h GLY 56 N 1.14 0.87 -1.20 0.83 0.00 0.22 -3.43 103.07 101.51 2dba h GLY 56 Ca 0.27 -0.12 -0.49 0.00 0.00 0.00 0.00 47.33 46.99 2dba h GLY 56 CO -0.03 -0.02 0.17 1.08 0.00 0.00 0.00 176.54 177.74 2dba s LEU 57 N -10.40 2.18 -0.12 3.11 1.43 -0.78 -4.87 118.68 109.23 2dba s LEU 57 Ca -0.13 1.85 -0.01 0.00 -1.03 0.00 0.00 54.13 54.81 2dba s LEU 57 Cb 0.17 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.31 2dba s LEU 57 CO 0.75 -3.26 2.22 -0.90 0.23 0.00 0.00 176.35 175.39 2dba n ASP 58 N -4.32 5.75 -4.33 2.29 5.75 -1.26 -4.95 116.55 115.48 2dba n ASP 58 Ca 0.08 -2.66 -0.32 0.00 -0.01 0.00 0.00 54.79 51.88 2dba n ASP 58 Cb 0.53 -1.14 0.17 0.00 -1.03 0.00 0.00 41.12 39.65 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dba n ALA 59 N 1.22 -3.66 -1.00 2.12 0.00 -1.26 -4.90 120.51 113.02 2dba n ALA 59 Ca 0.17 -1.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.14 2dba n ALA 59 Cb 0.57 -1.64 0.11 0.00 0.00 0.00 0.00 19.45 18.49 2dba n ALA 59 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dba n THR 60 N -4.31 0.96 0.45 0.00 -2.24 -1.26 -4.76 114.28 103.11 2dba n THR 60 Ca 0.02 -0.25 0.09 0.00 -2.27 0.00 0.00 64.05 61.64 2dba n THR 60 Cb 0.60 -0.78 0.39 0.00 -2.10 0.00 0.00 70.33 68.43 2dba n THR 60 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dba n PRO 61 N -1.79 0.09 -0.04 -0.78 -0.04 -1.26 -1.99 135.00 129.19 2dba n PRO 61 Ca 0.09 0.33 -0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2dba n PRO 61 Cb 0.52 -1.67 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 2dba n PRO 61 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2dba n GLN 62 N -1.84 0.67 0.12 0.54 7.27 -1.26 -4.15 117.38 118.73 2dba n GLN 62 Ca 0.03 0.23 0.01 0.00 0.07 0.00 0.00 57.00 57.34 2dba n GLN 62 Cb 0.19 -1.71 -0.00 0.00 2.41 0.00 0.00 30.24 31.13 2dba n GLN 62 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2dba h ASP 63 N 0.01 0.00 0.10 1.69 3.32 -1.85 -3.24 116.42 116.45 2dba h ASP 63 Ca -0.38 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.62 2dba h ASP 63 Cb 2.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.59 2dba h ASP 63 CO 0.06 0.56 -0.18 1.56 -1.72 0.00 0.00 179.24 179.52 2dba h GLN 64 N 0.00 0.17 0.18 3.56 4.20 -1.56 -2.67 115.11 118.99 2dba h GLN 64 Ca -0.02 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2dba h GLN 64 Cb 1.44 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.20 2dba h GLN 64 CO 0.07 0.35 -0.09 0.00 -0.67 0.00 0.00 178.83 178.50 2dba h ALA 65 N 1.66 -0.27 -0.95 3.87 0.00 -1.71 -2.99 119.26 118.86 2dba h ALA 65 Ca 0.03 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.18 2dba h ALA 65 Cb 0.42 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.14 2dba h ALA 65 CO 0.03 -0.26 0.22 -0.24 0.00 0.00 0.00 179.25 179.00 2dba h VAL 66 N -0.90 0.14 -0.76 0.00 3.04 -1.59 0.88 116.25 117.06 2dba h VAL 66 Ca -0.02 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.59 2dba h VAL 66 Cb 0.18 0.04 -0.03 0.00 -2.01 0.00 0.00 31.29 29.47 2dba h VAL 66 CO 0.04 0.02 0.29 -0.07 -1.01 0.00 0.00 177.57 176.84 2dba h LEU 67 N 0.09 1.05 0.84 3.16 3.38 -1.58 -1.68 115.31 120.56 2dba h LEU 67 Ca 0.63 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.40 2dba h LEU 67 Cb 1.40 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.88 2dba h LEU 67 CO -0.78 0.94 -0.40 0.45 0.09 0.00 0.00 178.44 178.74 2dba h HIS 68 N 1.10 -1.04 -0.60 1.13 3.86 0.91 -0.39 115.15 120.12 2dba h HIS 68 Ca 0.25 -0.02 0.16 0.00 -1.16 0.00 0.00 60.37 59.60 2dba h HIS 68 Cb 0.23 0.34 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 2dba h HIS 68 CO 0.02 -0.65 0.43 0.07 0.86 0.00 0.00 177.93 178.66 2dba h ARG 69 N -1.17 0.06 -0.10 2.45 0.11 -1.30 -1.23 114.38 113.20 2dba h ARG 69 Ca -0.11 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.92 2dba h ARG 69 Cb 0.86 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 2dba h ARG 69 CO 0.19 0.04 -0.11 -0.91 0.10 0.00 0.00 179.97 179.28 2dba h ASN 70 N 0.06 0.27 -0.59 0.08 4.21 -1.00 -3.24 115.58 115.37 2dba h ASN 70 Ca 0.29 -0.49 0.12 0.00 1.21 0.00 0.00 56.30 57.43 2dba h ASN 70 Cb 1.06 -0.08 -0.11 0.00 -1.12 0.00 0.00 38.32 38.08 2dba h ASN 70 CO -0.02 0.71 -0.07 0.03 -1.29 0.00 0.00 177.43 176.78 2dba h ARG 71 N -0.16 0.05 -0.74 0.81 3.08 0.18 -0.89 114.38 116.71 2dba h ARG 71 Ca 0.01 -0.00 0.24 0.00 0.07 0.00 0.00 59.98 60.30 2dba h ARG 71 Cb 0.63 -0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.53 2dba h ARG 71 CO 0.03 0.04 0.15 0.00 -1.07 0.00 0.00 179.97 179.11 2dba n ALA 72 N -2.88 0.51 0.02 0.04 0.00 -1.12 0.63 120.51 117.71 2dba n ALA 72 Ca 0.08 0.78 -0.13 0.00 0.00 0.00 0.00 53.44 54.17 2dba n ALA 72 Cb 0.33 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.07 2dba n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dba h ALA 73 N 1.47 -0.61 -0.88 0.00 0.00 -1.32 1.00 119.26 118.92 2dba h ALA 73 Ca 0.51 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.60 2dba h ALA 73 Cb 1.19 0.76 -0.16 0.00 0.00 0.00 0.00 17.79 19.57 2dba h ALA 73 CO -0.65 -0.93 -0.11 0.00 0.00 0.00 0.00 179.25 177.56 2dba h HIS 75 N 0.03 -0.16 -0.95 0.00 3.86 -1.27 -1.32 115.15 115.33 2dba h HIS 75 Ca 0.46 -0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.93 2dba h HIS 75 Cb 0.81 0.05 -0.13 0.00 1.06 0.00 0.00 27.41 29.19 2dba h HIS 75 CO -0.58 0.17 0.46 -0.07 0.86 0.00 0.00 177.93 178.76 2dba h LEU 76 N -0.51 0.40 -0.15 2.43 3.38 0.11 0.31 115.31 121.28 2dba h LEU 76 Ca -0.02 0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.89 2dba h LEU 76 Cb 0.40 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dba h LEU 76 CO 0.03 -0.05 -0.83 0.11 0.09 0.00 0.00 178.44 177.79 2dba h LYS 77 N 0.38 0.73 -1.87 1.13 1.79 -0.93 -3.25 116.57 114.56 2dba h LYS 77 Ca 0.63 -0.64 -0.22 0.00 -2.18 0.00 0.00 60.65 58.24 2dba h LYS 77 Cb 1.28 0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 31.99 2dba h LYS 77 CO -0.56 1.24 0.09 1.28 -1.08 0.00 0.00 179.45 180.42 2dba n LEU 78 N -3.90 5.83 -3.92 2.94 4.77 0.74 -4.78 117.00 118.68 2dba n LEU 78 Ca -0.08 -3.13 -0.28 0.00 -0.03 0.00 0.00 56.01 52.49 2dba n LEU 78 Cb 0.77 -1.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 2dba n LEU 78 CO 0.53 1.36 -0.28 1.21 -1.33 0.00 0.00 177.39 178.89 2dba n GLU 79 N 1.31 -0.88 -2.03 3.23 2.13 -1.07 -4.78 120.64 118.55 2dba n GLU 79 Ca 0.27 0.09 -0.10 0.00 0.66 0.00 0.00 57.16 58.08 2dba n GLU 79 Cb 0.63 -3.17 0.06 0.00 0.27 0.00 0.00 31.44 29.23 2dba n GLU 79 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dba n ASP 80 N -2.03 3.11 -0.28 4.31 2.03 0.73 -4.88 116.55 119.53 2dba n ASP 80 Ca -0.12 -3.09 0.07 0.00 0.52 0.00 0.00 54.79 52.17 2dba n ASP 80 Cb 0.47 -0.41 0.17 0.00 -0.72 0.00 0.00 41.12 40.64 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2dba h TYR 81 N 2.04 -0.11 -0.51 -0.67 -1.99 -1.82 -1.78 116.97 112.14 2dba h TYR 81 Ca 0.11 0.06 0.05 0.00 2.00 0.00 0.00 58.73 60.95 2dba h TYR 81 Cb 1.42 0.18 -0.06 0.00 2.00 0.00 0.00 36.73 40.26 2dba h TYR 81 CO 0.67 -0.29 -0.30 -0.25 -0.00 0.00 0.00 178.16 177.99 2dba n ASP 82 N -5.40 -0.54 -0.20 3.88 9.92 -1.26 0.71 116.55 123.66 2dba n ASP 82 Ca 0.15 1.14 -0.03 0.00 -0.53 0.00 0.00 54.79 55.52 2dba n ASP 82 Cb 0.52 -0.24 0.07 0.00 -0.64 0.00 0.00 41.12 40.83 2dba n ASP 82 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2dba h LYS 83 N 0.00 0.62 -0.43 -1.24 1.57 -1.74 -2.87 116.57 112.47 2dba h LYS 83 Ca 0.08 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2dba h LYS 83 Cb 0.21 -0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 2dba h LYS 83 CO -0.48 0.41 -0.47 0.00 -0.57 0.00 0.00 179.45 178.34 2dba h ALA 84 N 1.29 -0.54 -0.93 3.86 0.00 0.53 -0.71 119.26 122.77 2dba h ALA 84 Ca 0.25 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.39 2dba h ALA 84 Cb 0.11 0.98 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 2dba h ALA 84 CO -0.15 -0.92 -0.25 -1.91 0.00 0.00 0.00 179.25 176.02 2dba n GLU 85 N -5.40 -0.10 0.30 0.00 0.00 -0.29 -0.99 120.64 114.15 2dba n GLU 85 Ca -0.01 1.45 -0.12 0.00 0.00 0.00 0.00 57.16 58.48 2dba n GLU 85 Cb 0.35 -2.17 -0.06 0.00 0.00 0.00 0.00 31.44 29.57 2dba n GLU 85 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2dba h THR 86 N 0.00 0.00 -0.94 6.31 2.02 -1.21 -0.51 112.91 118.58 2dba h THR 86 Ca 0.43 -0.02 0.27 0.00 0.77 0.00 0.00 66.41 67.86 2dba h THR 86 Cb 0.66 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 2dba h THR 86 CO -0.95 0.00 1.04 -0.33 0.37 0.00 0.00 175.52 175.65 2dba h GLU 87 N -0.79 0.00 0.08 6.66 5.08 -0.53 0.65 114.58 125.73 2dba h GLU 87 Ca -0.08 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 2dba h GLU 87 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2dba h GLU 87 CO 0.13 0.00 -0.81 0.00 -1.00 0.00 0.00 179.01 177.33 2dba h ALA 88 N 0.80 0.05 0.00 3.43 0.00 -0.57 -2.34 119.26 120.63 2dba h ALA 88 Ca 0.45 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2dba h ALA 88 Cb 2.52 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 20.57 2dba h ALA 88 CO -0.00 0.44 -0.03 1.03 0.00 0.00 0.00 179.25 180.68 2dba h SER 89 N -0.61 0.00 0.13 0.00 0.87 0.19 -1.97 113.55 112.16 2dba h SER 89 Ca -0.17 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.03 2dba h SER 89 Cb 1.46 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.41 2dba h SER 89 CO 0.04 0.03 -1.90 0.07 -0.53 0.00 0.00 176.83 174.54 2dba h LYS 90 N 0.00 0.28 -0.12 2.24 2.10 -1.07 -3.30 116.57 116.70 2dba h LYS 90 Ca -0.00 -0.48 -0.05 0.00 -2.00 0.00 0.00 60.65 58.13 2dba h LYS 90 Cb 0.29 0.18 -0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2dba h LYS 90 CO 0.00 1.23 -0.13 0.00 -2.00 0.00 0.00 179.45 178.55 2dba h ALA 91 N 0.05 1.55 0.51 0.07 0.00 -1.13 -2.53 119.26 117.79 2dba h ALA 91 Ca -0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 2dba h ALA 91 Cb 2.00 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.72 2dba h ALA 91 CO 0.09 0.32 -0.25 0.82 0.00 0.00 0.00 179.25 180.24 2dba h ILE 92 N 0.18 0.28 -0.85 0.00 2.04 -1.51 -3.11 117.51 114.54 2dba h ILE 92 Ca 0.04 -0.47 0.18 0.00 1.00 0.00 0.00 64.86 65.61 2dba h ILE 92 Cb 0.35 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2dba h ILE 92 CO 0.02 0.05 0.57 1.05 0.00 0.00 0.00 178.15 179.83 2dba h GLU 93 N -1.04 0.42 -0.99 2.37 4.11 -1.62 1.10 114.58 118.92 2dba h GLU 93 Ca -0.07 -0.03 0.08 0.00 0.07 0.00 0.00 59.36 59.41 2dba h GLU 93 Cb 0.60 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 2dba h GLU 93 CO 0.12 0.28 0.64 0.87 0.07 0.00 0.00 179.01 180.98 2dba h LYS 94 N 0.43 1.09 0.00 1.06 1.79 -1.39 -3.35 116.57 116.19 2dba h LYS 94 Ca 0.44 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 2dba h LYS 94 Cb 1.04 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2dba h LYS 94 CO -0.16 0.72 -0.48 -0.25 -1.08 0.00 0.00 179.45 178.20 2dba n ASP 95 N -4.54 1.04 0.00 0.86 8.00 0.07 -4.99 116.55 116.99 2dba n ASP 95 Ca 0.16 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2dba n ASP 95 Cb 0.22 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dba n GLY 96 N 1.81 3.28 2.73 0.44 0.00 0.36 -4.92 105.19 108.88 2dba n GLY 96 Ca -0.07 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 2dba n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dba n GLY 97 N 0.00 5.80 3.07 -0.02 0.00 -1.26 -4.90 105.19 107.89 2dba n GLY 97 Ca 0.00 -2.76 -0.35 0.00 0.00 0.00 0.00 46.02 42.91 2dba n GLY 97 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dba s ASP 98 N -3.29 5.07 0.24 1.61 -4.77 -1.26 -4.94 116.67 109.33 2dba s ASP 98 Ca 0.48 -2.79 -0.07 0.00 -3.30 0.00 0.00 52.55 46.87 2dba s ASP 98 Cb 0.33 -1.81 0.26 0.00 -1.09 0.00 0.00 42.92 40.61 2dba s ASP 98 CO -0.17 -0.36 1.89 -0.37 0.70 0.00 0.00 175.17 176.86 2dba h VAL 99 N 5.44 1.17 -0.73 2.11 -1.51 -1.93 -2.80 116.25 117.99 2dba h VAL 99 Ca -0.04 -0.39 0.18 0.00 -1.23 0.00 0.00 66.70 65.22 2dba h VAL 99 Cb 0.95 -0.07 -0.14 0.00 -2.13 0.00 0.00 31.29 29.91 2dba h VAL 99 CO 0.70 0.21 -0.07 0.29 -1.23 0.00 0.00 177.57 177.47 2dba n LYS 100 N -4.51 -0.06 -0.09 5.19 5.02 -1.26 0.17 118.16 122.62 2dba n LYS 100 Ca 0.11 1.11 -0.12 0.00 -2.02 0.00 0.00 58.31 57.39 2dba n LYS 100 Cb 0.07 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.31 2dba n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dba h ALA 101 N 1.46 0.35 -0.21 7.82 0.00 -1.85 -3.10 119.26 123.73 2dba h ALA 101 Ca 0.40 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2dba h ALA 101 Cb 0.75 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2dba h ALA 101 CO -0.72 0.19 -0.35 -0.07 0.00 0.00 0.00 179.25 178.30 2dba h LEU 102 N 0.25 -1.12 -0.77 0.00 3.38 0.17 0.15 115.31 117.38 2dba h LEU 102 Ca 0.06 0.17 0.16 0.00 0.09 0.00 0.00 57.88 58.36 2dba h LEU 102 Cb 0.58 0.48 -0.10 0.00 0.09 0.00 0.00 40.66 41.70 2dba h LEU 102 CO 0.03 -0.37 0.28 0.22 0.09 0.00 0.00 178.44 178.69 2dba h TYR 103 N -0.38 0.46 -0.08 1.13 3.20 -1.25 -0.92 116.97 119.13 2dba h TYR 103 Ca 0.11 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 2dba h TYR 103 Cb 0.56 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 2dba h TYR 103 CO -0.47 0.00 0.02 0.00 -1.64 0.00 0.00 178.16 176.07 2dba h ARG 104 N 0.39 0.13 -0.29 1.82 2.47 -1.13 -3.06 114.38 114.70 2dba h ARG 104 Ca 0.44 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 59.20 2dba h ARG 104 Cb 0.72 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.95 2dba h ARG 104 CO -0.45 0.31 -0.19 -0.09 0.56 0.00 0.00 179.97 180.10 2dba h ARG 105 N -0.08 -0.16 -0.69 0.04 2.43 0.40 -1.72 114.38 114.59 2dba h ARG 105 Ca 0.03 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.36 2dba h ARG 105 Cb 0.24 0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 29.70 2dba h ARG 105 CO 0.00 -0.11 -0.05 0.66 -1.51 0.00 0.00 179.97 178.96 2dba h SER 106 N -0.17 -0.41 -1.01 -3.80 4.64 -1.18 0.24 113.55 111.87 2dba h SER 106 Ca 0.16 0.19 0.29 0.00 -0.47 0.00 0.00 61.79 61.95 2dba h SER 106 Cb 0.41 0.35 -0.14 0.00 -0.31 0.00 0.00 62.40 62.71 2dba h SER 106 CO -0.40 -0.18 0.59 1.56 -0.87 0.00 0.00 176.83 177.54 2dba h GLN 107 N 0.07 0.42 -0.12 4.77 1.08 -1.21 0.16 115.11 120.29 2dba h GLN 107 Ca 0.36 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.41 2dba h GLN 107 Cb 0.60 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2dba h GLN 107 CO -0.64 0.28 -0.41 0.00 -0.95 0.00 0.00 178.83 177.11 2dba h ALA 108 N 1.79 0.21 0.25 3.87 0.00 -0.50 -3.24 119.26 121.64 2dba h ALA 108 Ca 0.70 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2dba h ALA 108 Cb 1.50 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2dba h ALA 108 CO -0.54 0.32 -0.42 -0.07 0.00 0.00 0.00 179.25 178.54 2dba h LEU 109 N 0.07 -1.20 -1.13 0.00 3.38 -0.03 0.35 115.31 116.76 2dba h LEU 109 Ca -0.02 0.12 0.33 0.00 0.09 0.00 0.00 57.88 58.40 2dba h LEU 109 Cb 1.04 0.43 -0.14 0.00 0.09 0.00 0.00 40.66 42.09 2dba h LEU 109 CO 0.09 -0.53 0.64 -0.33 0.09 0.00 0.00 178.44 178.40 2dba h GLU 110 N -0.74 0.29 -0.01 1.13 5.08 -1.29 0.28 114.58 119.31 2dba h GLU 110 Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2dba h GLU 110 Cb 0.72 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2dba h GLU 110 CO -0.16 0.19 -0.02 0.87 -1.00 0.00 0.00 179.01 178.89 2dba h LYS 111 N 0.30 0.03 -0.05 2.33 1.79 -1.31 -3.14 116.57 116.52 2dba h LYS 111 Ca 0.73 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 59.19 2dba h LYS 111 Cb 1.79 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.45 2dba h LYS 111 CO -0.52 0.62 0.05 -0.07 -1.08 0.00 0.00 179.45 178.44 2dba h LEU 112 N -0.55 0.00 0.00 2.94 3.38 0.13 -3.45 115.31 117.75 2dba h LEU 112 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dba h LEU 112 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2dba h LEU 112 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2dba n GLY 113 N -1.44 1.19 2.12 0.83 0.00 0.72 -5.04 105.19 103.57 2dba n GLY 113 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2dba n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dba n ARG 114 N -0.13 3.56 -0.32 1.61 1.74 -0.72 -4.85 116.66 117.55 2dba n ARG 114 Ca 0.00 -4.21 0.16 0.00 -0.77 0.00 0.00 57.85 53.02 2dba n ARG 114 Cb 0.00 -2.27 0.32 0.00 -1.02 0.00 0.00 32.46 29.48 2dba n ARG 114 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dba h LEU 115 N 2.26 -0.21 -0.90 0.55 3.38 -1.85 0.83 115.31 119.37 2dba h LEU 115 Ca 0.36 0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.73 2dba h LEU 115 Cb 1.39 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 42.42 2dba h LEU 115 CO 0.80 -0.29 0.50 0.44 0.09 0.00 0.00 178.44 179.98 2dba h ASP 116 N 0.08 0.63 0.08 -0.43 3.32 -1.98 -1.82 116.42 116.31 2dba h ASP 116 Ca 0.60 0.09 -0.22 0.00 0.02 0.00 0.00 57.03 57.52 2dba h ASP 116 Cb 1.28 -0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.84 2dba h ASP 116 CO -0.80 0.26 -0.91 1.56 -1.72 0.00 0.00 179.24 177.63 2dba h GLN 117 N 0.69 0.47 -1.18 3.56 1.08 0.16 -3.27 115.11 116.63 2dba h GLN 117 Ca 0.50 -0.62 0.36 0.00 -1.45 0.00 0.00 58.65 57.44 2dba h GLN 117 Cb 0.71 0.20 -0.11 0.00 -0.05 0.00 0.00 27.48 28.22 2dba h GLN 117 CO -0.36 1.25 0.76 0.00 -0.95 0.00 0.00 178.83 179.53 2dba h ALA 118 N 0.25 2.49 -0.21 3.87 0.00 -0.04 0.66 119.26 126.28 2dba h ALA 118 Ca -0.14 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 2dba h ALA 118 Cb 1.63 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.55 2dba h ALA 118 CO 0.17 -1.02 -0.65 0.28 0.00 0.00 0.00 179.25 178.04 2dba h VAL 119 N 0.22 1.29 -0.46 0.00 2.07 -1.51 -1.72 116.25 116.15 2dba h VAL 119 Ca 0.72 -1.87 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 2dba h VAL 119 Cb 2.07 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.65 2dba h VAL 119 CO -0.37 0.59 -0.11 -0.07 0.02 0.00 0.00 177.57 177.63 2dba h LEU 120 N 0.56 0.89 -0.40 2.57 3.38 0.16 0.31 115.31 122.78 2dba h LEU 120 Ca -0.02 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 2dba h LEU 120 Cb 1.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2dba h LEU 120 CO 0.13 1.05 -0.22 -0.78 0.09 0.00 0.00 178.44 178.72 2dba h ASP 121 N 0.73 0.89 -0.09 -0.43 1.82 -0.95 -3.20 116.42 115.18 2dba h ASP 121 Ca 0.12 -0.41 -0.07 0.00 -0.39 0.00 0.00 57.03 56.27 2dba h ASP 121 Cb 0.66 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2dba h ASP 121 CO 0.05 1.10 -0.23 -0.07 -1.61 0.00 0.00 179.24 178.48 2dba h LEU 122 N 0.67 0.36 -1.02 2.28 3.38 -1.24 -3.19 115.31 116.54 2dba h LEU 122 Ca 0.09 -0.58 0.37 0.00 0.09 0.00 0.00 57.88 57.85 2dba h LEU 122 Cb 0.78 -0.10 -0.16 0.00 0.09 0.00 0.00 40.66 41.26 2dba h LEU 122 CO 0.06 0.88 0.57 1.56 0.09 0.00 0.00 178.44 181.60 2dba h GLN 123 N -0.14 0.16 0.08 1.13 1.08 -0.41 0.30 115.11 117.30 2dba h GLN 123 Ca -0.00 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2dba h GLN 123 Cb 0.83 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2dba h GLN 123 CO 0.05 0.11 -0.04 0.00 -0.95 0.00 0.00 178.83 178.00 2dba h ARG 124 N 0.17 -0.10 -1.00 1.46 3.08 -1.55 -2.98 114.38 113.46 2dba h ARG 124 Ca 0.79 0.01 0.41 0.00 0.07 0.00 0.00 59.98 61.26 2dba h ARG 124 Cb 1.98 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 31.87 2dba h ARG 124 CO -0.67 0.18 0.51 0.00 -1.07 0.00 0.00 179.97 178.92 2dba h VAL 126 N 0.00 1.27 0.59 0.00 2.07 -1.37 -0.36 116.25 118.45 2dba h VAL 126 Ca 0.84 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2dba h VAL 126 Cb 2.20 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 33.36 2dba h VAL 126 CO -0.78 0.52 -0.28 -1.28 0.02 0.00 0.00 177.57 175.77 2dba h SER 127 N 0.74 -0.67 -0.64 0.57 0.87 0.19 -2.58 113.55 112.03 2dba h SER 127 Ca 0.06 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 2dba h SER 127 Cb 0.96 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 2dba h SER 127 CO 0.09 -0.40 0.24 -0.07 -0.53 0.00 0.00 176.83 176.17 2dba h LEU 128 N -0.92 0.92 -7.39 2.23 3.38 -1.26 -3.36 115.31 108.92 2dba h LEU 128 Ca -0.08 -0.14 -0.64 0.00 0.09 0.00 0.00 57.88 57.11 2dba h LEU 128 Cb 0.65 -0.24 -0.41 0.00 0.09 0.00 0.00 40.66 40.75 2dba h LEU 128 CO 0.13 0.84 -0.66 -1.61 0.09 0.00 0.00 178.44 177.23 2dba s GLU 129 N -5.41 1.77 0.35 1.13 0.41 -0.15 -4.95 118.70 111.86 2dba s GLU 129 Ca -0.11 -2.37 0.14 0.00 -0.41 0.00 0.00 54.97 52.21 2dba s GLU 129 Cb 0.16 -3.16 0.63 0.00 -1.78 0.00 0.00 34.13 29.98 2dba s GLU 129 CO 0.82 -1.08 1.75 -1.00 -0.49 0.00 0.00 175.26 175.26 2dba h PRO 130 N 6.78 0.00 0.10 0.39 0.13 -1.62 -3.21 132.00 134.57 2dba h PRO 130 Ca -0.07 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.90 2dba h PRO 130 Cb 0.92 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.07 2dba h PRO 130 CO 0.63 0.44 -0.68 1.57 -0.23 0.00 0.00 178.00 179.73 2dba h LYS 131 N 0.00 0.29 -5.54 0.86 2.10 -1.92 -3.44 116.57 108.92 2dba h LYS 131 Ca -0.00 -0.44 -0.57 0.00 -2.00 0.00 0.00 60.65 57.63 2dba h LYS 131 Cb 0.83 0.16 -0.04 0.00 -0.90 0.00 0.00 32.23 32.27 2dba h LYS 131 CO 0.06 1.18 1.58 0.09 -2.00 0.00 0.00 179.45 180.36 2dba n ASN 132 N -4.20 1.32 0.08 7.07 4.13 -1.21 -4.78 115.26 117.67 2dba n ASN 132 Ca -0.13 0.15 -0.17 0.00 1.68 0.00 0.00 54.58 56.11 2dba n ASN 132 Cb 0.75 -1.17 -0.14 0.00 -1.54 0.00 0.00 39.78 37.68 2dba n ASN 132 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 2dba h LYS 133 N 13.49 0.27 -0.41 3.52 1.63 -1.87 -3.30 116.57 129.89 2dba h LYS 133 Ca -0.16 -0.45 0.12 0.00 -0.85 0.00 0.00 60.65 59.30 2dba h LYS 133 Cb 1.32 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 33.10 2dba h LYS 133 CO 1.20 1.15 0.77 -0.39 -3.45 0.00 0.00 179.45 178.73 2dba h VAL 134 N 0.07 0.10 0.20 2.00 -1.51 -1.99 0.70 116.25 115.82 2dba h VAL 134 Ca -0.22 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 64.92 2dba h VAL 134 Cb 2.01 0.32 0.02 0.00 -2.13 0.00 0.00 31.29 31.51 2dba h VAL 134 CO 0.18 0.00 -1.56 -0.26 -1.23 0.00 0.00 177.57 174.69 2dba h PHE 135 N 0.00 0.76 -0.13 5.19 0.04 -1.96 -3.00 116.94 117.85 2dba h PHE 135 Ca 0.19 -0.56 -0.11 0.00 2.80 0.00 0.00 57.97 60.30 2dba h PHE 135 Cb 1.73 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.84 2dba h PHE 135 CO 0.00 1.61 -0.40 1.96 -0.60 0.00 0.00 178.31 180.88 2dba h GLN 136 N 0.04 0.28 -0.08 1.51 4.20 0.18 -1.86 115.11 119.38 2dba h GLN 136 Ca -0.30 -0.13 -0.19 0.00 0.06 0.00 0.00 58.65 58.09 2dba h GLN 136 Cb 2.05 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.82 2dba h GLN 136 CO 0.19 0.63 -0.75 1.05 -0.67 0.00 0.00 178.83 179.29 2dba h GLU 137 N 0.23 0.42 -0.03 1.46 -0.00 -1.21 -2.84 114.58 112.61 2dba h GLU 137 Ca 0.02 -0.36 -0.15 0.00 -0.00 0.00 0.00 59.36 58.87 2dba h GLU 137 Cb 0.80 0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.62 2dba h GLU 137 CO 0.06 0.99 -0.67 0.00 -0.00 0.00 0.00 179.01 179.39 2dba h ALA 138 N 0.90 0.80 0.20 1.06 0.00 -1.37 -3.28 119.26 117.58 2dba h ALA 138 Ca -0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2dba h ALA 138 Cb 1.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dba h ALA 138 CO 0.13 0.80 -0.10 1.25 0.00 0.00 0.00 179.25 181.33 2dba h LEU 139 N 0.11 -0.23 -0.99 0.00 5.85 -1.31 -3.18 115.31 115.56 2dba h LEU 139 Ca -0.01 0.01 0.35 0.00 0.84 0.00 0.00 57.88 59.07 2dba h LEU 139 Cb 1.20 0.06 -0.11 0.00 0.37 0.00 0.00 40.66 42.18 2dba h LEU 139 CO 0.10 -0.09 0.62 -2.11 -0.34 0.00 0.00 178.44 176.62 2dba n ARG 140 N -3.10 -0.03 0.11 1.25 1.85 -1.08 0.14 116.66 115.81 2dba n ARG 140 Ca -0.03 0.96 -0.12 0.00 -1.00 0.00 0.00 57.85 57.65 2dba n ARG 140 Cb 0.11 -1.85 -0.06 0.00 -1.05 0.00 0.00 32.46 29.60 2dba n ARG 140 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 2dba h ASN 141 N 0.00 -0.51 0.02 2.89 2.35 -1.61 0.72 115.58 119.44 2dba h ASN 141 Ca 0.66 0.06 -0.13 0.00 -0.55 0.00 0.00 56.30 56.33 2dba h ASN 141 Cb 2.06 0.19 -0.01 0.00 0.05 0.00 0.00 38.32 40.60 2dba h ASN 141 CO -0.39 -0.27 -0.71 0.16 -1.65 0.00 0.00 177.43 174.57 2dba h ILE 142 N -0.36 1.33 0.00 2.81 3.07 0.12 -3.38 117.51 121.10 2dba h ILE 142 Ca 0.02 -2.28 -0.00 0.00 1.55 0.00 0.00 64.86 64.15 2dba h ILE 142 Cb 0.37 2.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 2dba h ILE 142 CO -0.09 0.49 -0.00 -1.28 -1.05 0.00 0.00 178.15 176.22 2dba h SER 143 N -0.91 -0.00 0.00 2.16 0.87 -0.21 -3.49 113.55 111.96 2dba h SER 143 Ca -0.19 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2dba h SER 143 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2dba h SER 143 CO -0.08 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 176.85 2dba n GLY 144 N -1.03 -1.26 3.63 5.77 0.00 0.25 -4.93 105.19 107.62 2dba n GLY 144 Ca -0.07 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 2dba n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dba s PRO 145 N 0.00 3.78 -0.16 1.61 0.04 -1.26 -4.59 135.00 134.41 2dba s PRO 145 Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2dba s PRO 145 Cb 0.00 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2dba s PRO 145 CO 0.00 -1.31 -0.16 0.45 0.04 0.00 0.00 177.00 176.02 2dba s SER 146 N 4.25 3.52 0.00 6.66 0.15 -1.26 -4.95 113.70 122.07 2dba s SER 146 Ca 0.71 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2dba s SER 146 Cb -0.25 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2dba s SER 146 CO 0.29 0.06 0.00 -1.54 1.20 0.00 0.00 173.24 173.25 2dba n SER 147 N 4.25 1.13 0.00 5.45 3.41 -1.26 -5.21 113.62 121.39 2dba n SER 147 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 2dba n SER 147 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2dba n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49