#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 -0.80 0.26 1.61 0.01 -1.26 -5.18 113.70 108.34 2dba s SER 2 Ca 0.00 1.40 -0.17 0.00 1.31 0.00 0.00 55.95 58.49 2dba s SER 2 Cb 0.00 1.38 0.01 0.00 0.21 0.00 0.00 66.02 67.62 2dba s SER 2 CO 0.00 -0.23 0.59 -0.44 0.41 0.00 0.00 173.24 173.57 2dba s SER 3 N 0.96 -0.18 0.00 2.44 0.01 -1.26 -5.06 113.70 110.60 2dba s SER 3 Ca -0.05 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2dba s SER 3 Cb -0.05 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2dba s SER 3 CO -0.09 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 172.94 2dba n GLY 4 N -0.41 0.00 2.57 3.44 0.00 -1.26 -5.14 105.19 104.39 2dba n GLY 4 Ca -0.03 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.77 -2.22 -3.77 1.61 7.64 -1.26 -4.97 113.62 109.88 2dba n SER 5 Ca 0.00 0.64 -0.06 0.00 1.01 0.00 0.00 58.87 60.46 2dba n SER 5 Cb 0.00 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.49 2dba n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dba s SER 6 N -0.78 -0.25 0.00 6.43 0.15 -1.26 -5.18 113.70 112.81 2dba s SER 6 Ca 0.46 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2dba s SER 6 Cb -0.50 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 2dba s SER 6 CO 0.49 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 174.44 2dba n GLY 7 N -0.45 4.79 3.64 9.45 0.00 -1.26 -5.17 105.19 116.19 2dba n GLY 7 Ca -0.06 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.80 2dba n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dba s MET 8 N -4.47 0.33 0.10 1.61 0.00 -1.26 -5.18 119.30 110.43 2dba s MET 8 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 55.69 56.16 2dba s MET 8 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 34.83 34.93 2dba s MET 8 CO 0.00 -0.05 -0.08 0.95 0.00 0.00 0.00 175.02 175.84 2dba s THR 9 N 0.50 0.83 -0.02 3.16 -4.23 -1.26 -5.16 115.64 109.46 2dba s THR 9 Ca 0.01 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 2dba s THR 9 Cb -0.04 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 2dba s THR 9 CO -0.11 -0.77 -0.15 0.54 -0.54 0.00 0.00 174.62 173.60 2dba s VAL 10 N -3.23 2.99 -0.28 2.29 0.11 -1.26 -5.12 120.40 115.91 2dba s VAL 10 Ca 0.10 -0.88 -0.25 0.00 -2.93 0.00 0.00 61.98 58.02 2dba s VAL 10 Cb 0.02 -2.20 0.11 0.00 -1.53 0.00 0.00 36.38 32.78 2dba s VAL 10 CO -0.03 0.50 0.96 -0.55 -3.33 0.00 0.00 175.10 172.65 2dba s SER 11 N -1.00 -0.52 -0.23 3.54 0.15 -1.26 -5.18 113.70 109.20 2dba s SER 11 Ca 0.13 1.00 -0.32 0.00 0.70 0.00 0.00 55.95 57.45 2dba s SER 11 Cb -0.11 1.01 0.16 0.00 -1.71 0.00 0.00 66.02 65.37 2dba s SER 11 CO 0.03 -0.17 1.24 -0.83 1.20 0.00 0.00 173.24 174.70 2dba s GLY 12 N 0.25 -0.13 0.37 9.45 0.00 -1.26 -5.16 107.32 110.85 2dba s GLY 12 Ca 0.02 2.19 -0.26 0.00 0.00 0.00 0.00 44.72 46.67 2dba s GLY 12 CO -0.05 0.85 1.20 2.56 0.00 0.00 0.00 173.10 177.67 2dba s PRO 13 N -1.61 4.17 0.00 2.90 0.04 -1.26 -4.45 135.00 134.79 2dba s PRO 13 Ca 0.07 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dba s PRO 13 Cb -0.01 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2dba s PRO 13 CO -0.05 -0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2dba n GLY 14 N 0.73 -0.35 3.16 0.56 0.00 -1.26 -5.10 105.19 102.94 2dba n GLY 14 Ca 0.03 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 2dba n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dba s THR 15 N -2.00 1.43 0.74 2.61 2.01 -1.26 -5.14 115.64 114.02 2dba s THR 15 Ca 0.00 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.13 2dba s THR 15 Cb 0.00 -1.20 0.04 0.00 0.01 0.00 0.00 72.50 71.35 2dba s THR 15 CO 0.00 0.41 1.10 -2.16 -0.69 0.00 0.00 174.62 173.27 2dba s PRO 16 N -0.24 2.40 -0.00 4.92 0.04 -1.26 -5.06 135.00 135.80 2dba s PRO 16 Ca 0.03 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.32 2dba s PRO 16 Cb -0.09 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2dba s PRO 16 CO 0.00 -1.54 -0.03 -1.21 0.04 0.00 0.00 177.00 174.26 2dba s GLU 17 N -4.68 2.68 0.42 4.56 8.01 -1.26 -5.10 118.70 123.33 2dba s GLU 17 Ca 0.63 -0.66 -0.24 0.00 0.01 0.00 0.00 54.97 54.71 2dba s GLU 17 Cb -0.18 -2.59 -0.08 0.00 -4.31 0.00 0.00 34.13 26.96 2dba s GLU 17 CO 0.52 0.62 1.18 -1.25 0.01 0.00 0.00 175.26 176.34 2dba s PRO 18 N -1.46 3.93 -0.04 0.39 0.04 -1.26 -5.04 135.00 131.57 2dba s PRO 18 Ca 0.18 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 2dba s PRO 18 Cb -0.11 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 2dba s PRO 18 CO 0.09 -0.42 0.12 1.03 0.04 0.00 0.00 177.00 177.86 2dba s ARG 19 N -2.44 3.27 0.22 4.56 0.52 -1.26 -5.11 118.95 118.71 2dba s ARG 19 Ca 0.59 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 2dba s ARG 19 Cb -0.31 -3.01 0.06 0.00 0.52 0.00 0.00 34.95 32.21 2dba s ARG 19 CO 0.38 0.69 0.20 -0.35 0.02 0.00 0.00 175.30 176.24 2dba n PRO 20 N 1.35 -1.41 -4.55 3.54 -0.04 -1.26 -5.10 135.00 127.52 2dba n PRO 20 Ca -0.14 -0.32 -0.28 0.00 -0.04 0.00 0.00 63.50 62.72 2dba n PRO 20 Cb 0.53 -0.30 -0.07 0.00 -0.04 0.00 0.00 33.50 33.62 2dba n PRO 20 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dba n ALA 21 N -3.34 0.55 -3.63 0.55 0.00 -1.26 -5.17 120.51 108.20 2dba n ALA 21 Ca -0.04 -2.20 -0.07 0.00 0.00 0.00 0.00 53.44 51.13 2dba n ALA 21 Cb 0.11 1.39 -0.07 0.00 0.00 0.00 0.00 19.45 20.88 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 -3.05 0.00 -0.53 0.00 -1.32 -1.26 -5.11 115.64 104.36 2dba s THR 22 Ca 0.15 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.36 2dba s THR 22 Cb 0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 2dba s THR 22 CO 0.10 0.00 1.81 -2.16 -2.21 0.00 0.00 174.62 172.17 2dba s PRO 23 N -0.02 2.85 -0.79 7.08 0.04 -1.26 -4.93 135.00 137.98 2dba s PRO 23 Ca 0.04 0.81 0.02 0.00 0.04 0.00 0.00 61.00 61.92 2dba s PRO 23 Cb -0.04 -4.32 0.19 0.00 0.04 0.00 0.00 34.50 30.37 2dba s PRO 23 CO -0.08 -2.46 0.63 0.41 0.04 0.00 0.00 177.00 175.54 2dba n GLY 24 N 5.59 4.10 2.37 0.56 0.00 -1.26 -4.88 105.19 111.68 2dba n GLY 24 Ca 0.21 -2.60 -0.23 0.00 0.00 0.00 0.00 46.02 43.40 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 2.04 4.73 -0.09 4.61 0.00 -1.26 -4.62 120.51 125.92 2dba n ALA 25 Ca 0.21 -3.94 -0.11 0.00 0.00 0.00 0.00 53.44 49.61 2dba n ALA 25 Cb 0.36 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.52 1.79 -4.64 0.00 7.64 -1.26 -4.70 113.62 111.92 2dba n SER 26 Ca 0.36 -0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.76 2dba n SER 26 Cb 0.78 0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 64.26 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 -5.40 6.32 0.61 6.43 0.01 -1.26 -4.74 113.70 115.67 2dba s SER 27 Ca -0.17 2.10 0.30 0.00 1.31 0.00 0.00 55.95 59.49 2dba s SER 27 Cb 0.06 -2.53 1.66 0.00 0.21 0.00 0.00 66.02 65.42 2dba s SER 27 CO 0.55 -1.23 2.02 1.62 0.41 0.00 0.00 173.24 176.61 2dba h VAL 28 N 6.02 0.30 0.06 3.43 3.04 -1.92 0.52 116.25 127.71 2dba h VAL 28 Ca -0.40 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.18 2dba h VAL 28 Cb 1.20 0.75 0.01 0.00 -2.01 0.00 0.00 31.29 31.24 2dba h VAL 28 CO 0.97 0.00 -0.47 -0.08 -1.01 0.00 0.00 177.57 176.98 2dba h GLU 29 N 0.00 0.22 0.00 4.17 4.81 -1.94 -3.25 114.58 118.58 2dba h GLU 29 Ca 0.10 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2dba h GLU 29 Cb 0.68 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.17 2dba h GLU 29 CO -0.00 1.09 -0.05 0.37 -0.73 0.00 0.00 179.01 179.69 2dba h GLN 30 N -0.50 0.00 -0.78 1.92 5.75 -1.61 -3.36 115.11 116.53 2dba h GLN 30 Ca -0.07 0.00 0.33 0.00 -0.15 0.00 0.00 58.65 58.75 2dba h GLN 30 Cb 1.30 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.71 2dba h GLN 30 CO 0.09 0.00 0.42 1.47 -2.65 0.00 0.00 178.83 178.16 2dba n LEU 31 N -3.18 0.27 -0.29 -2.39 -0.00 0.17 -0.34 117.00 111.25 2dba n LEU 31 Ca -0.01 1.29 -0.01 0.00 -0.00 0.00 0.00 56.01 57.28 2dba n LEU 31 Cb 0.03 -0.63 0.02 0.00 -0.00 0.00 0.00 43.42 42.84 2dba n LEU 31 CO 0.01 -1.45 0.43 -1.14 -0.00 0.00 0.00 177.39 175.24 2dba n ARG 32 N -4.76 -0.19 -0.35 1.47 0.63 -1.23 0.11 116.66 112.35 2dba n ARG 32 Ca 0.29 1.14 0.09 0.00 -0.92 0.00 0.00 57.85 58.45 2dba n ARG 32 Cb 1.00 -1.69 0.19 0.00 0.45 0.00 0.00 32.46 32.41 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 0.00 -0.90 -0.14 1.79 -0.91 0.77 116.57 117.17 2dba h LYS 33 Ca 0.25 -0.00 0.25 0.00 -2.18 0.00 0.00 60.65 58.97 2dba h LYS 33 Cb 0.43 -0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.94 2dba h LYS 33 CO -0.73 0.00 0.32 1.49 -1.08 0.00 0.00 179.45 179.44 2dba h GLU 34 N 0.00 0.25 0.80 3.15 4.81 0.66 0.41 114.58 124.65 2dba h GLU 34 Ca 0.52 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.69 2dba h GLU 34 Cb 0.89 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.23 2dba h GLU 34 CO -1.00 0.16 -0.38 0.78 -0.73 0.00 0.00 179.01 177.84 2dba h GLY 35 N 0.25 -1.12 0.92 1.92 0.00 0.52 -2.41 103.07 103.16 2dba h GLY 35 Ca 0.59 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 48.30 2dba h GLY 35 CO -0.63 -0.41 -0.37 3.43 0.00 0.00 0.00 176.54 178.56 2dba h ASN 36 N -1.08 -0.92 -0.97 0.19 2.35 -1.27 -1.99 115.58 111.89 2dba h ASN 36 Ca -0.11 0.04 0.37 0.00 -0.55 0.00 0.00 56.30 56.06 2dba h ASN 36 Cb 0.82 0.26 -0.18 0.00 0.05 0.00 0.00 38.32 39.27 2dba h ASN 36 CO 0.18 -0.61 0.40 -0.62 -1.65 0.00 0.00 177.43 175.14 2dba n GLU 37 N -5.52 -0.06 0.02 0.81 -0.58 0.14 0.22 120.64 115.66 2dba n GLU 37 Ca -0.14 1.37 -0.10 0.00 -0.42 0.00 0.00 57.16 57.88 2dba n GLU 37 Cb 0.41 -2.39 0.04 0.00 -0.57 0.00 0.00 31.44 28.93 2dba n GLU 37 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2dba h LEU 38 N 0.00 0.58 0.18 -4.62 3.38 -1.04 -3.13 115.31 110.65 2dba h LEU 38 Ca 0.77 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 2dba h LEU 38 Cb 1.95 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2dba h LEU 38 CO -0.79 1.06 -0.08 0.15 0.09 0.00 0.00 178.44 178.86 2dba h PHE 39 N 0.37 -0.22 0.00 1.13 3.57 0.34 0.28 116.94 122.40 2dba h PHE 39 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2dba h PHE 39 Cb 1.19 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2dba h PHE 39 CO 0.05 0.15 0.15 0.36 -2.23 0.00 0.00 178.31 176.79 2dba n LYS 40 N -5.01 0.08 -0.04 1.11 2.85 0.57 -0.11 118.16 117.61 2dba n LYS 40 Ca -0.09 0.54 0.01 0.00 -1.05 0.00 0.00 58.31 57.73 2dba n LYS 40 Cb 0.25 -1.91 -0.13 0.00 -0.65 0.00 0.00 35.03 32.58 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 1.75 0.56 3.54 0.00 0.00 0.85 -5.04 105.19 106.86 2dba n GLY 42 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 1.09 -0.01 1.61 8.00 0.75 -4.71 116.55 123.28 2dba n ASP 43 Ca 0.00 -1.36 -0.17 0.00 0.71 0.00 0.00 54.79 53.97 2dba n ASP 43 Cb 0.00 -1.43 -0.14 0.00 -0.02 0.00 0.00 41.12 39.53 2dba n ASP 43 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 44 N 12.26 0.28 -1.05 1.24 0.05 -1.92 -2.30 116.97 125.52 2dba h TYR 44 Ca 0.01 -0.20 0.27 0.00 0.05 0.00 0.00 58.73 58.86 2dba h TYR 44 Cb 1.03 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.67 2dba h TYR 44 CO 1.20 1.19 0.69 0.78 -1.05 0.00 0.00 178.16 180.97 2dba h GLY 45 N -0.66 1.05 0.00 3.88 0.00 -1.92 -2.10 103.07 103.33 2dba h GLY 45 Ca -0.09 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 2dba h GLY 45 CO 0.07 -0.12 -0.94 -1.33 0.00 0.00 0.00 176.54 174.22 2dba h GLY 46 N 0.34 0.00 -0.88 4.60 0.00 -1.96 -3.33 103.07 101.85 2dba h GLY 46 Ca 0.59 0.00 0.32 0.00 0.00 0.00 0.00 47.33 48.24 2dba h GLY 46 CO -0.26 0.00 0.26 0.00 0.00 0.00 0.00 176.54 176.54 2dba h ALA 47 N -0.46 1.57 0.12 3.60 0.00 -1.02 0.32 119.26 123.39 2dba h ALA 47 Ca -0.25 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dba h ALA 47 Cb 1.15 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2dba h ALA 47 CO -0.15 -0.69 -0.06 1.25 0.00 0.00 0.00 179.25 179.60 2dba h LEU 48 N 0.05 -0.14 -0.71 0.00 7.12 -1.56 -2.91 115.31 117.16 2dba h LEU 48 Ca 0.69 -0.08 0.14 0.00 0.13 0.00 0.00 57.88 58.76 2dba h LEU 48 Cb 1.59 0.04 -0.14 0.00 -0.53 0.00 0.00 40.66 41.62 2dba h LEU 48 CO -0.81 -0.01 -0.19 0.00 -0.13 0.00 0.00 178.44 177.29 2dba h ALA 49 N 0.60 0.44 -0.17 1.25 0.00 -0.48 -0.23 119.26 120.66 2dba h ALA 49 Ca -0.02 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2dba h ALA 49 Cb 0.21 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2dba h ALA 49 CO 0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 179.25 178.67 2dba h ALA 50 N 1.67 -0.07 -0.78 0.00 0.00 -1.31 -1.86 119.26 116.91 2dba h ALA 50 Ca 0.34 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.45 2dba h ALA 50 Cb 0.53 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 2dba h ALA 50 CO -0.74 -0.61 0.36 1.88 0.00 0.00 0.00 179.25 180.13 2dba h TYR 51 N -0.20 0.62 -0.30 0.00 0.05 -0.89 -2.38 116.97 113.87 2dba h TYR 51 Ca 0.11 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.97 2dba h TYR 51 Cb 0.36 -0.16 -0.08 0.00 1.01 0.00 0.00 36.73 37.87 2dba h TYR 51 CO -0.31 0.13 -0.53 1.15 -1.05 0.00 0.00 178.16 177.56 2dba h THR 52 N 0.53 0.03 0.06 -2.88 2.02 -0.45 -1.48 112.91 110.74 2dba h THR 52 Ca 0.42 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.61 2dba h THR 52 Cb 0.59 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2dba h THR 52 CO -0.37 0.00 -0.35 1.56 0.37 0.00 0.00 175.52 176.74 2dba h GLN 53 N -0.46 -0.46 -0.93 6.66 4.20 -1.33 0.05 115.11 122.84 2dba h GLN 53 Ca 0.07 0.03 0.27 0.00 0.06 0.00 0.00 58.65 59.09 2dba h GLN 53 Cb 0.63 0.11 -0.17 0.00 0.30 0.00 0.00 27.48 28.34 2dba h GLN 53 CO -0.53 -0.31 0.08 0.00 -0.67 0.00 0.00 178.83 177.41 2dba n ALA 54 N -2.77 0.54 -0.14 3.87 0.00 -1.03 0.14 120.51 121.11 2dba n ALA 54 Ca -0.05 0.99 -0.11 0.00 0.00 0.00 0.00 53.44 54.27 2dba n ALA 54 Cb 0.27 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 2dba n ALA 54 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dba h LEU 55 N 0.00 0.79 -0.72 0.00 3.38 -0.40 -3.13 115.31 115.22 2dba h LEU 55 Ca 0.59 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 58.37 2dba h LEU 55 Cb 1.29 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 2dba h LEU 55 CO -0.85 0.95 0.13 1.23 0.09 0.00 0.00 178.44 179.99 2dba h GLY 56 N 0.60 0.95 -1.37 0.83 0.00 0.31 -3.42 103.07 100.98 2dba h GLY 56 Ca 0.11 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.92 2dba h GLY 56 CO 0.04 -0.22 0.29 1.08 0.00 0.00 0.00 176.54 177.73 2dba s LEU 57 N -10.63 3.00 -0.01 3.11 1.43 -0.94 -4.87 118.68 109.77 2dba s LEU 57 Ca -0.13 2.04 -0.04 0.00 -1.03 0.00 0.00 54.13 54.98 2dba s LEU 57 Cb 0.21 -4.55 -0.16 0.00 0.03 0.00 0.00 46.19 41.73 2dba s LEU 57 CO 0.75 -2.49 2.99 0.47 0.23 0.00 0.00 176.35 178.30 2dba n ASP 58 N -3.68 5.32 -4.62 2.29 8.00 -1.26 -4.94 116.55 117.67 2dba n ASP 58 Ca 0.11 -2.48 -0.31 0.00 0.71 0.00 0.00 54.79 52.82 2dba n ASP 58 Cb 0.52 -1.30 0.17 0.00 -0.02 0.00 0.00 41.12 40.49 2dba n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dba n ALA 59 N 2.07 -1.20 -1.00 2.24 0.00 -1.26 -4.92 120.51 116.43 2dba n ALA 59 Ca 0.27 -0.61 -0.35 0.00 0.00 0.00 0.00 53.44 52.75 2dba n ALA 59 Cb 0.75 -2.13 0.09 0.00 0.00 0.00 0.00 19.45 18.16 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 -4.23 0.61 0.32 0.00 -2.24 -1.26 -4.77 114.28 102.71 2dba n THR 60 Ca 0.11 -0.32 0.16 0.00 -2.27 0.00 0.00 64.05 61.73 2dba n THR 60 Cb 0.52 -0.55 0.64 0.00 -2.10 0.00 0.00 70.33 68.84 2dba n THR 60 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2dba h PRO 61 N -1.02 0.00 0.03 -0.78 0.13 -2.01 -2.72 132.00 125.63 2dba h PRO 61 Ca -0.44 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.43 2dba h PRO 61 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2dba h PRO 61 CO 0.36 0.00 -1.39 1.96 -0.23 0.00 0.00 178.00 178.69 2dba h GLN 62 N 0.00 0.06 -0.05 0.86 1.08 -1.98 -3.29 115.11 111.78 2dba h GLN 62 Ca 0.00 -0.10 -0.23 0.00 -1.45 0.00 0.00 58.65 56.87 2dba h GLN 62 Cb 0.45 0.04 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 2dba h GLN 62 CO 0.00 0.83 -0.90 -0.44 -0.95 0.00 0.00 178.83 177.37 2dba h ASP 63 N 0.02 0.78 0.37 1.46 5.19 -1.85 -3.29 116.42 119.11 2dba h ASP 63 Ca -0.17 -0.58 -0.01 0.00 -0.62 0.00 0.00 57.03 55.65 2dba h ASP 63 Cb 1.92 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 41.18 2dba h ASP 63 CO 0.12 1.37 -0.28 1.56 -3.12 0.00 0.00 179.24 178.89 2dba h GLN 64 N 0.39 -0.63 -0.98 3.56 4.20 -1.62 -2.29 115.11 117.75 2dba h GLN 64 Ca -0.08 0.04 0.30 0.00 0.06 0.00 0.00 58.65 58.96 2dba h GLN 64 Cb 1.54 0.14 -0.14 0.00 0.30 0.00 0.00 27.48 29.31 2dba h GLN 64 CO 0.17 -0.42 0.50 0.00 -0.67 0.00 0.00 178.83 178.42 2dba h ALA 65 N -0.10 1.79 0.47 3.87 0.00 -1.66 -0.12 119.26 123.51 2dba h ALA 65 Ca -0.03 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2dba h ALA 65 Cb 0.56 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dba h ALA 65 CO -0.01 -0.52 -0.22 0.28 0.00 0.00 0.00 179.25 178.78 2dba h VAL 66 N 0.33 0.51 -0.61 0.00 2.07 -1.49 -2.50 116.25 114.55 2dba h VAL 66 Ca 0.69 -0.28 0.16 0.00 0.82 0.00 0.00 66.70 68.09 2dba h VAL 66 Cb 1.51 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 2dba h VAL 66 CO -0.60 0.05 0.43 -0.07 0.02 0.00 0.00 177.57 177.40 2dba h LEU 67 N -0.80 0.07 0.61 2.57 3.38 -0.57 -0.65 115.31 119.93 2dba h LEU 67 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2dba h LEU 67 Cb 0.56 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dba h LEU 67 CO 0.11 0.04 -0.29 0.45 0.09 0.00 0.00 178.44 178.83 2dba h HIS 68 N 0.08 -0.76 0.00 1.13 3.86 -0.84 0.66 115.15 119.28 2dba h HIS 68 Ca 0.29 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.48 2dba h HIS 68 Cb 1.06 0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.78 2dba h HIS 68 CO -0.00 -0.42 -0.02 0.07 0.86 0.00 0.00 177.93 178.42 2dba h ARG 69 N -1.09 0.00 0.02 2.45 0.11 -0.97 -2.90 114.38 112.00 2dba h ARG 69 Ca -0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.00 2dba h ARG 69 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 2dba h ARG 69 CO 0.14 0.02 -0.01 -0.91 0.10 0.00 0.00 179.97 179.31 2dba h ASN 70 N 0.00 -0.03 -0.67 0.08 2.35 -0.96 -3.37 115.58 112.99 2dba h ASN 70 Ca -0.00 -0.49 0.11 0.00 -0.55 0.00 0.00 56.30 55.37 2dba h ASN 70 Cb 0.14 0.01 -0.12 0.00 0.05 0.00 0.00 38.32 38.39 2dba h ASN 70 CO 0.00 0.70 -0.38 0.03 -1.65 0.00 0.00 177.43 176.13 2dba h ARG 71 N -0.98 -0.15 -0.82 0.81 3.08 -0.66 0.16 114.38 115.82 2dba h ARG 71 Ca -0.00 0.01 0.29 0.00 0.07 0.00 0.00 59.98 60.35 2dba h ARG 71 Cb 0.51 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 30.45 2dba h ARG 71 CO 0.01 -0.10 0.26 0.00 -1.07 0.00 0.00 179.97 179.07 2dba n ALA 72 N -3.21 0.67 0.03 0.04 0.00 -1.15 -0.32 120.51 116.57 2dba n ALA 72 Ca 0.04 0.85 -0.10 0.00 0.00 0.00 0.00 53.44 54.23 2dba n ALA 72 Cb 0.36 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 1.64 -0.79 -0.88 0.00 0.00 -0.83 -0.34 119.26 118.07 2dba h ALA 73 Ca 0.61 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.68 2dba h ALA 73 Cb 1.50 0.82 -0.16 0.00 0.00 0.00 0.00 17.79 19.94 2dba h ALA 73 CO -0.69 -0.90 -0.04 0.00 0.00 0.00 0.00 179.25 177.62 2dba h HIS 75 N 0.05 -1.13 -0.99 0.00 3.86 -1.22 -0.52 115.15 115.18 2dba h HIS 75 Ca 0.49 -0.01 0.32 0.00 -1.16 0.00 0.00 60.37 60.01 2dba h HIS 75 Cb 0.90 0.40 -0.18 0.00 1.06 0.00 0.00 27.41 29.59 2dba h HIS 75 CO -0.52 -0.64 0.21 -0.07 0.86 0.00 0.00 177.93 177.77 2dba h LEU 76 N -1.07 -0.19 -0.66 2.43 3.38 0.18 1.53 115.31 120.91 2dba h LEU 76 Ca -0.10 0.27 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 2dba h LEU 76 Cb 0.85 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2dba h LEU 76 CO 0.11 -0.38 -0.45 0.11 0.09 0.00 0.00 178.44 177.92 2dba h LYS 77 N 0.01 0.51 -1.72 1.13 1.79 -1.05 -3.14 116.57 114.11 2dba h LYS 77 Ca 0.69 -0.28 -0.49 0.00 -2.18 0.00 0.00 60.65 58.39 2dba h LYS 77 Cb 1.58 0.01 -0.19 0.00 -1.58 0.00 0.00 32.23 32.06 2dba h LYS 77 CO -0.87 0.86 0.52 1.28 -1.08 0.00 0.00 179.45 180.17 2dba n LEU 78 N -4.00 6.73 -3.99 2.94 4.77 0.51 -4.83 117.00 119.13 2dba n LEU 78 Ca -0.02 -3.91 -0.29 0.00 -0.03 0.00 0.00 56.01 51.76 2dba n LEU 78 Cb 0.54 -1.13 -0.08 0.00 -2.33 0.00 0.00 43.42 40.43 2dba n LEU 78 CO 0.45 1.53 -0.29 -0.62 -1.33 0.00 0.00 177.39 177.14 2dba n GLU 79 N 0.34 -0.88 -2.32 3.23 1.02 -1.00 -4.80 120.64 116.24 2dba n GLU 79 Ca 0.45 0.09 -0.25 0.00 -0.02 0.00 0.00 57.16 57.43 2dba n GLU 79 Cb 0.54 -3.29 0.01 0.00 -0.02 0.00 0.00 31.44 28.68 2dba n GLU 79 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2dba n ASP 80 N -2.13 4.62 -0.13 1.62 8.00 -0.19 -4.84 116.55 123.50 2dba n ASP 80 Ca -0.12 -3.66 -0.05 0.00 0.71 0.00 0.00 54.79 51.66 2dba n ASP 80 Cb 0.49 -0.42 0.03 0.00 -0.02 0.00 0.00 41.12 41.21 2dba n ASP 80 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2dba h TYR 81 N 2.44 0.32 -0.90 1.24 0.05 -1.85 -1.64 116.97 116.63 2dba h TYR 81 Ca 0.30 0.02 0.11 0.00 0.05 0.00 0.00 58.73 59.21 2dba h TYR 81 Cb 1.17 -0.08 -0.13 0.00 1.01 0.00 0.00 36.73 38.70 2dba h TYR 81 CO 0.81 0.14 -0.44 -3.47 -1.05 0.00 0.00 178.16 174.15 2dba n ASP 82 N -4.97 -0.77 -0.08 3.88 2.03 -1.26 -0.27 116.55 115.10 2dba n ASP 82 Ca 0.03 1.59 -0.13 0.00 0.52 0.00 0.00 54.79 56.80 2dba n ASP 82 Cb 0.14 -0.28 -0.05 0.00 -0.72 0.00 0.00 41.12 40.20 2dba n ASP 82 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2dba h LYS 83 N 0.00 0.57 -0.84 -0.67 1.57 -1.91 -3.27 116.57 112.01 2dba h LYS 83 Ca 0.23 -0.28 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2dba h LYS 83 Cb 0.45 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.65 2dba h LYS 83 CO -0.87 0.86 -0.42 0.00 -0.57 0.00 0.00 179.45 178.45 2dba n ALA 84 N -2.45 -0.33 -0.12 3.86 0.00 0.62 0.53 120.51 122.62 2dba n ALA 84 Ca -0.04 0.78 -0.05 0.00 0.00 0.00 0.00 53.44 54.13 2dba n ALA 84 Cb 0.40 -0.24 0.02 0.00 0.00 0.00 0.00 19.45 19.63 2dba n ALA 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dba h GLU 85 N 0.00 0.05 0.04 0.00 4.22 -1.43 0.32 114.58 117.79 2dba h GLU 85 Ca 0.21 -0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.67 2dba h GLU 85 Cb 0.42 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 2dba h GLU 85 CO -0.82 0.03 -0.25 1.15 -2.18 0.00 0.00 179.01 176.95 2dba h THR 86 N 0.05 0.43 -0.56 0.32 2.02 0.00 -0.71 112.91 114.46 2dba h THR 86 Ca 0.19 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.43 2dba h THR 86 Cb 0.29 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 2dba h THR 86 CO -0.36 0.00 0.28 -0.33 0.37 0.00 0.00 175.52 175.47 2dba h GLU 87 N -0.42 0.51 -0.05 6.66 4.39 -0.50 -2.55 114.58 122.63 2dba h GLU 87 Ca 0.05 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.75 2dba h GLU 87 Cb 0.48 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 2dba h GLU 87 CO -0.19 0.34 -0.15 0.00 -1.16 0.00 0.00 179.01 177.85 2dba h ALA 88 N 1.31 -0.13 -0.67 3.43 0.00 -0.45 -1.06 119.26 121.70 2dba h ALA 88 Ca 0.25 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.32 2dba h ALA 88 Cb 0.19 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 2dba h ALA 88 CO -0.19 -0.62 0.13 0.66 0.00 0.00 0.00 179.25 179.23 2dba h SER 89 N -0.22 -0.03 -0.73 0.00 4.64 -0.75 0.52 113.55 116.97 2dba h SER 89 Ca 0.07 0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 2dba h SER 89 Cb 0.31 0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 2dba h SER 89 CO -0.18 -0.03 0.33 0.11 -0.87 0.00 0.00 176.83 176.20 2dba h LYS 90 N 0.24 1.07 -0.76 4.77 1.57 -1.04 -1.36 116.57 121.06 2dba h LYS 90 Ca 0.36 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2dba h LYS 90 Cb 0.58 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2dba h LYS 90 CO -0.47 0.85 0.36 0.00 -0.57 0.00 0.00 179.45 179.62 2dba h ALA 91 N 1.16 0.98 0.32 3.86 0.00 0.28 -2.15 119.26 123.72 2dba h ALA 91 Ca 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2dba h ALA 91 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2dba h ALA 91 CO -0.03 0.54 -0.16 0.82 0.00 0.00 0.00 179.25 180.43 2dba h ILE 92 N 1.07 0.00 -1.01 0.00 2.04 -0.67 -3.19 117.51 115.74 2dba h ILE 92 Ca 0.26 -0.17 0.36 0.00 1.00 0.00 0.00 64.86 66.31 2dba h ILE 92 Cb 0.12 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.04 2dba h ILE 92 CO -0.03 0.00 0.57 1.05 0.00 0.00 0.00 178.15 179.74 2dba h GLU 93 N -0.61 0.18 -0.19 2.37 4.11 -1.31 0.64 114.58 119.78 2dba h GLU 93 Ca -0.04 -0.01 0.05 0.00 0.07 0.00 0.00 59.36 59.43 2dba h GLU 93 Cb 0.33 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.47 2dba h GLU 93 CO 0.07 0.12 -0.36 0.87 0.07 0.00 0.00 179.01 179.78 2dba h LYS 94 N 0.19 -0.39 0.00 1.06 1.79 -1.37 -3.36 116.57 114.48 2dba h LYS 94 Ca 0.78 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 59.28 2dba h LYS 94 Cb 1.93 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.67 2dba h LYS 94 CO -0.66 -0.26 -0.20 -0.25 -1.08 0.00 0.00 179.45 176.99 2dba n ASP 95 N -5.42 0.51 0.00 0.86 9.92 0.43 -5.05 116.55 117.80 2dba n ASP 95 Ca -0.03 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2dba n ASP 95 Cb 0.34 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 2dba n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dba n GLY 96 N 1.61 3.36 2.74 0.44 0.00 0.20 -4.96 105.19 108.58 2dba n GLY 96 Ca -0.03 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 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 5.82 2.94 -0.02 0.00 -1.26 -4.92 105.19 107.76 2dba n GLY 97 Ca 0.00 -2.68 -0.30 0.00 0.00 0.00 0.00 46.02 43.05 2dba n GLY 97 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dba s ASP 98 N -2.54 4.35 0.35 1.61 1.01 -1.26 -4.93 116.67 115.26 2dba s ASP 98 Ca 0.47 -3.10 0.13 0.00 0.71 0.00 0.00 52.55 50.77 2dba s ASP 98 Cb 0.33 -1.63 0.65 0.00 1.01 0.00 0.00 42.92 43.28 2dba s ASP 98 CO -0.21 -0.22 1.77 -0.37 0.21 0.00 0.00 175.17 176.36 2dba h VAL 99 N 5.38 1.24 -0.90 -1.27 -1.51 -1.94 -3.10 116.25 114.17 2dba h VAL 99 Ca -0.06 -1.49 0.23 0.00 -1.23 0.00 0.00 66.70 64.15 2dba h VAL 99 Cb 0.88 1.82 -0.13 0.00 -2.13 0.00 0.00 31.29 31.72 2dba h VAL 99 CO 0.69 0.42 0.35 0.11 -1.23 0.00 0.00 177.57 177.91 2dba h LYS 100 N 0.00 0.32 -0.07 5.19 1.79 -1.97 0.85 116.57 122.69 2dba h LYS 100 Ca -0.00 -0.02 -0.22 0.00 -2.18 0.00 0.00 60.65 58.23 2dba h LYS 100 Cb 0.78 -0.07 0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2dba h LYS 100 CO 0.06 0.21 -0.81 0.00 -1.08 0.00 0.00 179.45 177.83 2dba h ALA 101 N 1.74 0.19 -0.85 3.86 0.00 -1.90 -3.26 119.26 119.04 2dba h ALA 101 Ca 0.57 -0.62 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2dba h ALA 101 Cb 1.12 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2dba h ALA 101 CO -0.57 0.59 0.45 -0.07 0.00 0.00 0.00 179.25 179.65 2dba h LEU 102 N 0.33 0.58 -2.09 0.00 3.38 -0.92 0.26 115.31 116.84 2dba h LEU 102 Ca -0.08 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dba h LEU 102 Cb 1.46 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 2dba h LEU 102 CO 0.16 0.27 0.06 0.22 0.09 0.00 0.00 178.44 179.24 2dba h TYR 103 N 0.67 0.00 0.15 1.13 3.20 -1.20 -2.11 116.97 118.81 2dba h TYR 103 Ca 0.45 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.98 2dba h TYR 103 Cb 0.59 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 2dba h TYR 103 CO -0.08 0.00 -1.71 0.00 -1.64 0.00 0.00 178.16 174.73 2dba h ARG 104 N 0.00 0.32 -0.75 1.82 3.08 -0.71 -3.34 114.38 114.80 2dba h ARG 104 Ca 0.04 -0.54 0.12 0.00 0.07 0.00 0.00 59.98 59.66 2dba h ARG 104 Cb 0.15 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 2dba h ARG 104 CO -0.00 1.21 0.49 -0.09 -1.07 0.00 0.00 179.97 180.51 2dba h ARG 105 N 0.09 0.53 0.00 0.04 2.43 -0.20 0.15 114.38 117.42 2dba h ARG 105 Ca -0.32 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.75 2dba h ARG 105 Cb 2.06 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 2dba h ARG 105 CO 0.16 0.35 -0.32 0.66 -1.51 0.00 0.00 179.97 179.31 2dba h SER 106 N 0.54 0.00 -0.68 -3.80 4.64 -1.58 -2.73 113.55 109.95 2dba h SER 106 Ca 0.36 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.63 2dba h SER 106 Cb 0.64 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.71 2dba h SER 106 CO -0.13 0.32 0.22 1.56 -0.87 0.00 0.00 176.83 177.93 2dba h GLN 107 N 0.00 1.04 -0.02 4.77 1.08 -0.81 -2.59 115.11 118.58 2dba h GLN 107 Ca -0.00 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2dba h GLN 107 Cb 0.74 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2dba h GLN 107 CO 0.04 0.90 -0.10 0.00 -0.95 0.00 0.00 178.83 178.72 2dba h ALA 108 N 1.10 0.05 -0.61 3.87 0.00 -1.46 -3.25 119.26 118.95 2dba h ALA 108 Ca 0.22 -0.36 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2dba h ALA 108 Cb 0.28 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.95 2dba h ALA 108 CO -0.01 -0.06 -0.21 -0.07 0.00 0.00 0.00 179.25 178.90 2dba h LEU 109 N -0.49 -0.75 -0.46 0.00 3.38 -1.46 0.25 115.31 115.79 2dba h LEU 109 Ca -0.01 0.20 0.09 0.00 0.09 0.00 0.00 57.88 58.26 2dba h LEU 109 Cb 0.74 0.44 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 2dba h LEU 109 CO 0.02 -0.24 -0.15 -0.33 0.09 0.00 0.00 178.44 177.83 2dba h GLU 110 N -0.06 -0.04 -0.30 1.13 5.08 -1.54 0.38 114.58 119.24 2dba h GLU 110 Ca 0.28 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 2dba h GLU 110 Cb 0.50 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2dba h GLU 110 CO -0.66 -0.02 0.07 0.87 -1.00 0.00 0.00 179.01 178.27 2dba h LYS 111 N -0.04 0.44 -0.95 2.33 6.56 -1.10 -1.49 116.57 122.32 2dba h LYS 111 Ca 0.22 -0.06 -0.05 0.00 -1.06 0.00 0.00 60.65 59.70 2dba h LYS 111 Cb 0.38 -0.08 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 2dba h LYS 111 CO -0.50 0.41 0.06 1.28 -2.06 0.00 0.00 179.45 178.64 2dba n LEU 112 N -4.37 2.83 -2.09 2.94 4.77 0.26 -4.82 117.00 116.52 2dba n LEU 112 Ca 0.01 -1.44 -0.17 0.00 -0.03 0.00 0.00 56.01 54.38 2dba n LEU 112 Cb 0.17 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2dba n LEU 112 CO 0.37 0.46 -0.20 0.61 -1.33 0.00 0.00 177.39 177.30 2dba n GLY 113 N 0.14 0.26 2.75 -0.72 0.00 -0.56 -4.87 105.19 102.18 2dba n GLY 113 Ca 0.09 0.00 -0.36 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 -2.64 4.29 0.07 1.61 1.74 0.11 -4.75 116.66 117.09 2dba n ARG 114 Ca -0.19 -4.49 -0.00 0.00 -0.77 0.00 0.00 57.85 52.40 2dba n ARG 114 Cb 0.62 -2.36 0.30 0.00 -1.02 0.00 0.00 32.46 30.00 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 3.57 0.32 -1.48 0.55 3.38 -1.83 -1.25 115.31 118.57 2dba h LEU 115 Ca 0.43 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2dba h LEU 115 Cb 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2dba h LEU 115 CO 1.12 0.53 0.07 0.44 0.09 0.00 0.00 178.44 180.68 2dba h ASP 116 N 0.30 0.37 0.30 -0.43 3.32 -1.96 -2.81 116.42 115.52 2dba h ASP 116 Ca 0.05 -0.04 -0.33 0.00 0.02 0.00 0.00 57.03 56.73 2dba h ASP 116 Cb 0.52 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.98 2dba h ASP 116 CO 0.03 0.38 -1.64 1.56 -1.72 0.00 0.00 179.24 177.86 2dba h GLN 117 N 0.40 0.35 -1.04 3.56 7.50 -1.84 -3.34 115.11 120.70 2dba h GLN 117 Ca 0.10 -0.60 0.29 0.00 0.50 0.00 0.00 58.65 58.93 2dba h GLN 117 Cb 0.17 0.22 -0.12 0.00 0.05 0.00 0.00 27.48 27.80 2dba h GLN 117 CO -0.00 1.25 0.64 0.00 -1.50 0.00 0.00 178.83 179.21 2dba h ALA 118 N 0.27 2.05 0.02 3.87 0.00 -0.98 0.33 119.26 124.83 2dba h ALA 118 Ca -0.30 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dba h ALA 118 Cb 2.07 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.93 2dba h ALA 118 CO 0.18 -0.55 -0.01 0.28 0.00 0.00 0.00 179.25 179.15 2dba h VAL 119 N 0.42 1.22 0.53 0.00 2.07 -1.65 -2.81 116.25 116.02 2dba h VAL 119 Ca 0.67 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2dba h VAL 119 Cb 1.54 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 2dba h VAL 119 CO -0.44 0.19 -0.42 -0.07 0.02 0.00 0.00 177.57 176.85 2dba h LEU 120 N -0.35 -1.11 -1.08 2.57 3.38 -1.12 0.35 115.31 117.96 2dba h LEU 120 Ca -0.00 0.08 0.37 0.00 0.09 0.00 0.00 57.88 58.41 2dba h LEU 120 Cb 0.33 0.35 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 2dba h LEU 120 CO 0.00 -0.59 0.61 -0.78 0.09 0.00 0.00 178.44 177.78 2dba h ASP 121 N -0.91 0.42 -0.01 -0.43 1.82 -1.30 0.56 116.42 116.57 2dba h ASP 121 Ca -0.07 0.20 -0.24 0.00 -0.39 0.00 0.00 57.03 56.52 2dba h ASP 121 Cb 0.76 0.17 0.02 0.00 0.68 0.00 0.00 39.33 40.96 2dba h ASP 121 CO 0.01 -0.22 -0.95 -0.07 -1.61 0.00 0.00 179.24 176.40 2dba h LEU 122 N 0.20 0.85 -1.23 2.28 3.38 -1.13 -3.16 115.31 116.50 2dba h LEU 122 Ca 0.78 -0.74 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2dba h LEU 122 Cb 1.98 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 2dba h LEU 122 CO -0.61 1.48 0.63 1.56 0.09 0.00 0.00 178.44 181.59 2dba h GLN 123 N 0.31 0.00 0.00 1.13 4.20 0.43 0.26 115.11 121.44 2dba h GLN 123 Ca -0.12 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2dba h GLN 123 Cb 1.62 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.38 2dba h GLN 123 CO 0.19 0.00 -0.72 0.00 -0.67 0.00 0.00 178.83 177.62 2dba h ARG 124 N 0.00 0.00 -0.19 1.46 3.08 -1.47 -3.31 114.38 113.95 2dba h ARG 124 Ca 0.04 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.15 2dba h ARG 124 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.34 2dba h ARG 124 CO -0.00 0.68 0.36 0.00 -1.07 0.00 0.00 179.97 179.94 2dba h VAL 126 N 0.00 0.88 0.00 0.00 2.07 -1.45 -3.00 116.25 114.74 2dba h VAL 126 Ca 0.09 -2.22 -0.03 0.00 0.82 0.00 0.00 66.70 65.37 2dba h VAL 126 Cb 0.82 2.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.00 2dba h VAL 126 CO -0.00 0.50 -0.30 -1.28 0.02 0.00 0.00 177.57 176.51 2dba h SER 127 N 0.00 0.00 -0.65 0.57 0.87 -0.02 -3.26 113.55 111.07 2dba h SER 127 Ca -0.01 -0.24 0.16 0.00 -1.23 0.00 0.00 61.79 60.48 2dba h SER 127 Cb 1.38 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.30 2dba h SER 127 CO 0.07 0.78 0.45 -0.07 -0.53 0.00 0.00 176.83 177.53 2dba h LEU 128 N -1.00 0.14 -6.94 2.23 3.38 -1.50 -3.27 115.31 108.36 2dba h LEU 128 Ca -0.04 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.33 2dba h LEU 128 Cb 0.48 -0.02 -0.40 0.00 0.09 0.00 0.00 40.66 40.81 2dba h LEU 128 CO -0.03 0.07 -0.75 -1.61 0.09 0.00 0.00 178.44 176.22 2dba s GLU 129 N -5.15 1.32 0.46 1.13 0.41 -1.13 -4.95 118.70 110.78 2dba s GLU 129 Ca -0.06 -2.09 0.25 0.00 -0.41 0.00 0.00 54.97 52.66 2dba s GLU 129 Cb 0.20 -2.31 1.05 0.00 -1.78 0.00 0.00 34.13 31.29 2dba s GLU 129 CO 0.75 -1.19 1.88 -1.00 -0.49 0.00 0.00 175.26 175.21 2dba h PRO 130 N 6.56 0.00 0.19 0.39 0.13 -1.61 -3.11 132.00 134.56 2dba h PRO 130 Ca 0.02 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.82 2dba h PRO 130 Cb 0.91 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.06 2dba h PRO 130 CO 0.48 0.21 -1.63 0.87 -0.23 0.00 0.00 178.00 177.70 2dba h LYS 131 N 0.00 0.41 -5.31 0.86 1.79 -1.92 -3.44 116.57 108.95 2dba h LYS 131 Ca -0.00 -0.69 -0.32 0.00 -2.18 0.00 0.00 60.65 57.45 2dba h LYS 131 Cb 0.65 0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.52 2dba h LYS 131 CO 0.03 1.31 1.26 0.09 -1.08 0.00 0.00 179.45 181.06 2dba n ASN 132 N -3.60 1.16 0.03 0.86 5.03 -1.17 -4.75 115.26 112.82 2dba n ASN 132 Ca -0.21 -0.67 -0.08 0.00 0.87 0.00 0.00 54.58 54.50 2dba n ASN 132 Cb 1.08 -1.31 0.08 0.00 -1.02 0.00 0.00 39.78 38.61 2dba n ASN 132 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 2dba h LYS 133 N 14.76 0.45 -1.40 3.52 1.63 -1.87 -3.07 116.57 130.59 2dba h LYS 133 Ca -0.09 -0.28 0.41 0.00 -0.85 0.00 0.00 60.65 59.84 2dba h LYS 133 Cb 1.18 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.78 2dba h LYS 133 CO 1.24 0.88 1.00 0.28 -3.45 0.00 0.00 179.45 179.40 2dba h VAL 134 N 0.34 0.29 0.07 2.00 2.07 -1.98 0.13 116.25 119.18 2dba h VAL 134 Ca 0.00 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2dba h VAL 134 Cb 1.08 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2dba h VAL 134 CO 0.10 0.00 -0.03 -0.26 0.02 0.00 0.00 177.57 177.40 2dba h PHE 135 N 0.02 -0.09 -1.00 1.57 0.04 -1.91 -2.87 116.94 112.71 2dba h PHE 135 Ca 0.68 -0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.65 2dba h PHE 135 Cb 2.65 0.03 -0.11 0.00 2.20 0.00 0.00 35.95 40.73 2dba h PHE 135 CO -0.00 0.03 0.61 1.96 -0.60 0.00 0.00 178.31 180.31 2dba h GLN 136 N -1.02 0.67 -0.16 1.51 4.20 -1.30 0.35 115.11 119.36 2dba h GLN 136 Ca -0.01 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2dba h GLN 136 Cb 0.15 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2dba h GLN 136 CO 0.02 0.44 -0.35 1.05 -0.67 0.00 0.00 178.83 179.32 2dba h GLU 137 N 0.69 0.33 -0.02 1.46 4.11 -0.92 -1.07 114.58 119.16 2dba h GLU 137 Ca 0.58 -0.14 -0.23 0.00 0.07 0.00 0.00 59.36 59.64 2dba h GLU 137 Cb 1.01 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.27 2dba h GLU 137 CO -0.37 0.64 -0.88 0.00 0.07 0.00 0.00 179.01 178.47 2dba h ALA 138 N 1.35 0.13 0.59 1.06 0.00 -0.22 -3.25 119.26 118.92 2dba h ALA 138 Ca 0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2dba h ALA 138 Cb 0.75 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dba h ALA 138 CO 0.06 0.59 -0.28 1.25 0.00 0.00 0.00 179.25 180.86 2dba h LEU 139 N 0.27 -0.67 -1.01 0.00 5.85 -0.61 -2.91 115.31 116.22 2dba h LEU 139 Ca -0.11 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.74 2dba h LEU 139 Cb 1.55 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 2dba h LEU 139 CO 0.18 -0.28 0.90 0.03 -0.34 0.00 0.00 178.44 178.93 2dba h ARG 140 N -1.15 0.00 0.25 1.25 2.47 -1.34 0.57 114.38 116.43 2dba h ARG 140 Ca -0.08 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2dba h ARG 140 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.96 2dba h ARG 140 CO 0.13 0.00 -0.12 -0.91 0.56 0.00 0.00 179.97 179.63 2dba h ASN 141 N 0.00 -0.29 -0.05 7.04 2.35 -1.54 -2.32 115.58 120.78 2dba h ASN 141 Ca 0.22 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.90 2dba h ASN 141 Cb 2.02 0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.47 2dba h ASN 141 CO -0.00 -0.06 -0.29 0.16 -1.65 0.00 0.00 177.43 175.58 2dba h ILE 142 N -0.62 1.46 -0.53 2.81 3.07 -1.08 -3.29 117.51 119.33 2dba h ILE 142 Ca -0.03 -1.77 0.08 0.00 1.55 0.00 0.00 64.86 64.68 2dba h ILE 142 Cb 0.26 2.45 -0.06 0.00 -0.27 0.00 0.00 36.82 39.20 2dba h ILE 142 CO 0.06 0.50 0.18 -1.28 -1.05 0.00 0.00 178.15 176.56 2dba h SER 143 N -0.26 0.17 -3.55 2.16 0.87 -0.11 -3.43 113.55 109.39 2dba h SER 143 Ca -0.02 0.07 -0.57 0.00 -1.23 0.00 0.00 61.79 60.04 2dba h SER 143 Cb 0.97 0.06 0.14 0.00 -0.44 0.00 0.00 62.40 63.13 2dba h SER 143 CO 0.06 0.12 0.31 0.61 -0.53 0.00 0.00 176.83 177.39 2dba n GLY 144 N -1.27 0.10 3.57 5.77 0.00 -0.87 -4.83 105.19 107.66 2dba n GLY 144 Ca 0.06 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.51 2.52 -1.25 1.61 0.04 -1.26 -4.18 135.00 129.97 2dba s PRO 145 Ca 0.69 -0.62 -0.08 0.00 0.04 0.00 0.00 61.00 61.03 2dba s PRO 145 Cb -0.47 -5.13 0.08 0.00 0.04 0.00 0.00 34.50 29.03 2dba s PRO 145 CO 0.52 -3.62 0.21 0.45 0.04 0.00 0.00 177.00 174.60 2dba n SER 146 N 14.17 -0.28 -4.26 6.66 2.88 -1.26 -4.82 113.62 126.71 2dba n SER 146 Ca 0.42 -0.92 -0.44 0.00 -1.33 0.00 0.00 58.87 56.60 2dba n SER 146 Cb 0.47 -1.16 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 2dba n SER 146 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dba s SER 147 N -3.35 6.41 0.00 -3.46 0.15 -1.26 -5.23 113.70 106.96 2dba s SER 147 Ca 0.30 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 54.04 2dba s SER 147 Cb -0.17 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2dba s SER 147 CO 0.74 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 175.33