#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bse n GLN 3 N 0.00 0.53 -4.67 5.55 1.13 -1.26 -4.72 117.38 113.94 2bse n GLN 3 Ca 0.00 0.37 -0.30 0.00 -1.94 0.00 0.00 57.00 55.13 2bse n GLN 3 Cb 0.00 -1.57 -0.13 0.00 0.11 0.00 0.00 30.24 28.65 2bse n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2bse s LEU 4 N -7.91 2.51 -0.11 1.08 1.43 -1.26 -0.37 118.68 114.05 2bse s LEU 4 Ca -0.27 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.35 2bse s LEU 4 Cb 0.06 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.84 2bse s LEU 4 CO 0.41 0.25 -0.11 -1.10 0.23 0.00 0.00 176.35 176.02 2bse s GLN 5 N -1.48 1.83 0.13 1.70 -0.21 -0.75 -4.94 119.66 115.94 2bse s GLN 5 Ca 0.14 -0.40 0.04 0.00 0.02 0.00 0.00 55.36 55.16 2bse s GLN 5 Cb -0.10 -1.70 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 2bse s GLN 5 CO 0.05 -0.16 0.11 -1.21 -2.12 0.00 0.00 175.29 171.97 2bse s GLU 6 N 1.30 2.89 0.24 2.91 2.02 -1.26 -2.45 118.70 124.35 2bse s GLU 6 Ca -0.02 -0.80 -0.11 0.00 0.02 0.00 0.00 54.97 54.06 2bse s GLU 6 Cb -0.14 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.41 2bse s GLU 6 CO -0.05 0.52 0.44 -1.54 0.02 0.00 0.00 175.26 174.65 2bse s SER 7 N -2.83 -0.04 0.27 -0.19 1.04 -1.10 -5.01 113.70 105.85 2bse s SER 7 Ca 0.30 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.74 2bse s SER 7 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2bse s SER 7 CO 0.23 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.94 2bse n GLY 8 N -0.37 -1.80 0.00 7.32 0.00 -1.26 -2.86 105.19 106.22 2bse n GLY 8 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2bse n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 9 N -0.09 -1.76 0.00 -0.02 0.00 -1.21 -4.95 105.19 97.16 2bse n GLY 9 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2bse n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 10 N 0.00 0.25 3.75 -0.02 0.00 -0.71 -4.97 105.19 103.50 2bse n GLY 10 Ca 0.00 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 2bse n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bse s LEU 11 N 0.00 4.34 -0.02 0.99 1.43 -1.26 -1.42 118.68 122.74 2bse s LEU 11 Ca 0.00 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 53.91 2bse s LEU 11 Cb 0.00 -2.75 0.02 0.00 0.03 0.00 0.00 46.19 43.49 2bse s LEU 11 CO 0.00 0.07 0.26 0.54 0.23 0.00 0.00 176.35 177.45 2bse s VAL 12 N 0.16 0.06 0.49 -1.59 0.11 -0.76 -4.99 120.40 113.89 2bse s VAL 12 Ca 0.27 -0.48 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 2bse s VAL 12 Cb -0.16 -0.54 -0.08 0.00 -1.53 0.00 0.00 36.38 34.07 2bse s VAL 12 CO 0.13 -0.26 1.01 -1.10 -3.33 0.00 0.00 175.10 171.54 2bse s GLN 13 N -1.17 3.86 0.23 1.54 -0.21 -1.26 -2.78 119.66 119.87 2bse s GLN 13 Ca -0.12 1.22 -0.30 0.00 0.02 0.00 0.00 55.36 56.17 2bse s GLN 13 Cb -0.06 -2.11 -0.10 0.00 1.00 0.00 0.00 33.01 31.74 2bse s GLN 13 CO 0.03 -0.36 1.49 0.00 -2.12 0.00 0.00 175.29 174.33 2bse s ALA 14 N -2.20 3.68 0.00 6.09 0.00 -1.24 -1.53 121.76 126.57 2bse s ALA 14 Ca 0.64 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2bse s ALA 14 Cb -0.13 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2bse s ALA 14 CO 0.22 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.61 2bse n GLY 15 N 2.65 2.32 0.00 0.00 0.00 -0.77 -4.95 105.19 104.43 2bse n GLY 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2bse n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 16 N -2.00 -0.82 3.14 -0.02 0.00 -0.58 -4.21 105.19 100.71 2bse n GLY 16 Ca 0.00 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 2bse n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bse s SER 17 N -1.00 1.53 -0.08 1.61 0.01 -1.26 -3.31 113.70 111.20 2bse s SER 17 Ca 0.00 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.66 2bse s SER 17 Cb 0.00 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.19 2bse s SER 17 CO 0.00 -0.05 0.20 -0.22 0.41 0.00 0.00 173.24 173.58 2bse s LEU 18 N -1.46 1.16 -0.12 2.44 2.96 -0.90 -4.99 118.68 117.77 2bse s LEU 18 Ca -0.02 0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2bse s LEU 18 Cb -0.09 0.67 -0.02 0.00 0.50 0.00 0.00 46.19 47.25 2bse s LEU 18 CO 0.02 -0.08 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.25 2bse s ARG 19 N 0.23 3.26 -0.00 1.98 3.52 -1.26 -1.52 118.95 125.16 2bse s ARG 19 Ca -0.01 -0.67 0.05 0.00 -0.13 0.00 0.00 55.73 54.97 2bse s ARG 19 Cb -0.02 -2.62 -0.03 0.00 -1.56 0.00 0.00 34.95 30.72 2bse s ARG 19 CO -0.01 0.30 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.13 2bse s LEU 20 N 0.14 2.76 0.11 -0.88 1.43 0.13 -3.33 118.68 119.05 2bse s LEU 20 Ca -0.06 -0.28 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 2bse s LEU 20 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2bse s LEU 20 CO 0.05 0.30 -0.14 -0.44 0.23 0.00 0.00 176.35 176.35 2bse s SER 21 N -1.15 1.87 -0.26 2.29 0.01 -1.13 0.62 113.70 115.94 2bse s SER 21 Ca 0.14 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.55 2bse s SER 21 Cb -0.11 -0.06 0.12 0.00 0.21 0.00 0.00 66.02 66.19 2bse s SER 21 CO 0.04 -0.14 0.55 0.00 0.41 0.00 0.00 173.24 174.10 2bse s THR 23 N 2.78 4.04 -0.07 0.00 -4.23 -1.03 -1.26 115.64 115.87 2bse s THR 23 Ca -0.03 -0.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 2bse s THR 23 Cb -0.12 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2bse s THR 23 CO -0.17 0.35 -0.09 0.00 -0.54 0.00 0.00 174.62 174.17 2bse s ALA 24 N -1.10 2.88 0.33 3.99 0.00 -1.05 -1.81 121.76 125.00 2bse s ALA 24 Ca 0.20 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.34 2bse s ALA 24 Cb -0.11 -1.17 0.57 0.00 0.00 0.00 0.00 23.12 22.40 2bse s ALA 24 CO 0.11 0.54 1.76 0.66 0.00 0.00 0.00 175.76 178.82 2bse h SER 25 N 5.40 0.12 -5.10 0.00 4.64 -0.99 -3.47 113.55 114.16 2bse h SER 25 Ca -0.46 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 60.75 2bse h SER 25 Cb 1.17 -0.03 -0.13 0.00 -0.31 0.00 0.00 62.40 63.10 2bse h SER 25 CO 0.52 0.51 -0.15 -0.60 -0.87 0.00 0.00 176.83 176.25 2bse s ARG 26 N -4.15 1.04 -0.19 4.77 3.52 -1.26 -5.14 118.95 117.54 2bse s ARG 26 Ca -0.04 -0.79 -0.07 0.00 -0.13 0.00 0.00 55.73 54.70 2bse s ARG 26 Cb 0.14 0.44 -0.04 0.00 -1.56 0.00 0.00 34.95 33.93 2bse s ARG 26 CO 0.75 -0.39 0.05 1.03 -0.81 0.00 0.00 175.30 175.93 2bse s ARG 27 N -3.83 3.87 0.05 5.12 0.52 -1.26 -5.01 118.95 118.41 2bse s ARG 27 Ca 0.04 -0.39 0.26 0.00 -0.52 0.00 0.00 55.73 55.12 2bse s ARG 27 Cb 0.02 -3.21 0.63 0.00 0.52 0.00 0.00 34.95 32.92 2bse s ARG 27 CO -0.11 0.17 1.52 0.25 0.02 0.00 0.00 175.30 177.15 2bse n THR 28 N 3.85 0.14 -3.49 0.02 -2.24 -1.26 -5.03 114.28 106.27 2bse n THR 28 Ca -0.16 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2bse n THR 28 Cb 0.52 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2bse n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bse n GLY 29 N 1.44 -0.33 3.82 3.38 0.00 -1.26 -4.94 105.19 107.30 2bse n GLY 29 Ca 0.05 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 2bse n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bse s SER 30 N -4.00 4.15 -1.50 1.61 1.04 -1.26 -3.97 113.70 109.77 2bse s SER 30 Ca 0.00 1.04 -0.11 0.00 0.48 0.00 0.00 55.95 57.36 2bse s SER 30 Cb 0.00 -1.66 0.07 0.00 0.10 0.00 0.00 66.02 64.53 2bse s SER 30 CO 0.00 -2.15 0.87 0.59 0.98 0.00 0.00 173.24 173.53 2bse n ASN 31 N -3.52 -3.62 -4.67 7.02 4.13 -1.26 -2.61 115.26 110.74 2bse n ASN 31 Ca 0.07 -0.83 -0.42 0.00 1.68 0.00 0.00 54.58 55.08 2bse n ASN 31 Cb 0.59 -3.73 -0.03 0.00 -1.54 0.00 0.00 39.78 35.07 2bse n ASN 31 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 2bse s TRP 32 N -3.42 2.24 -0.01 3.10 -0.11 -1.25 -2.22 118.94 117.26 2bse s TRP 32 Ca 0.50 0.38 0.08 0.00 1.22 0.00 0.00 56.10 58.27 2bse s TRP 32 Cb -0.25 -3.84 -0.02 0.00 -1.50 0.00 0.00 33.47 27.85 2bse s TRP 32 CO 0.84 -3.44 -0.25 0.00 -4.62 0.00 0.00 176.95 169.49 2bse s MET 34 N -0.63 1.53 0.00 0.00 -1.94 -0.86 -1.43 119.30 115.97 2bse s MET 34 Ca 0.10 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 2bse s MET 34 Cb -0.10 -1.30 0.00 0.00 2.01 0.00 0.00 34.83 35.44 2bse s MET 34 CO -0.01 0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 2bse n GLY 35 N 3.69 3.19 2.93 -0.03 0.00 0.16 -1.08 105.19 114.05 2bse n GLY 35 Ca -0.22 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 2bse n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bse s TRP 36 N -3.21 0.26 0.11 1.61 0.51 0.84 -0.80 118.94 118.26 2bse s TRP 36 Ca 0.00 -0.14 0.04 0.00 -2.12 0.00 0.00 56.10 53.88 2bse s TRP 36 Cb 0.00 -0.17 -0.04 0.00 -0.81 0.00 0.00 33.47 32.45 2bse s TRP 36 CO 0.00 -0.03 0.09 -0.06 -0.51 0.00 0.00 176.95 176.43 2bse s PHE 37 N -0.35 3.15 -0.28 -1.98 0.40 0.11 -1.69 117.98 117.34 2bse s PHE 37 Ca -0.02 0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 2bse s PHE 37 Cb -0.03 -1.58 0.07 0.00 0.51 0.00 0.00 43.02 42.00 2bse s PHE 37 CO -0.00 0.52 -0.04 0.50 0.70 0.00 0.00 175.22 176.89 2bse s ARG 38 N -2.59 1.80 -0.42 0.44 3.52 0.51 -1.98 118.95 120.22 2bse s ARG 38 Ca 0.29 -1.39 -0.08 0.00 -0.13 0.00 0.00 55.73 54.42 2bse s ARG 38 Cb -0.11 -2.85 0.09 0.00 -1.56 0.00 0.00 34.95 30.51 2bse s ARG 38 CO 0.22 -0.70 0.26 -1.14 -0.81 0.00 0.00 175.30 173.13 2bse s GLN 39 N 1.15 2.49 0.33 5.12 0.74 -1.12 -2.08 119.66 126.29 2bse s GLN 39 Ca -0.02 -1.57 -0.27 0.00 0.05 0.00 0.00 55.36 53.55 2bse s GLN 39 Cb -0.19 -3.77 -0.09 0.00 1.10 0.00 0.00 33.01 30.06 2bse s GLN 39 CO -0.07 -1.01 1.08 -0.51 -0.55 0.00 0.00 175.29 174.23 2bse s LEU 40 N 1.37 4.39 -0.60 3.68 1.43 -1.26 -2.94 118.68 124.75 2bse s LEU 40 Ca 0.04 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 55.03 2bse s LEU 40 Cb -0.24 -3.85 -0.12 0.00 0.03 0.00 0.00 46.19 42.01 2bse s LEU 40 CO 0.01 -0.29 2.44 0.00 0.23 0.00 0.00 176.35 178.74 2bse n ALA 41 N 0.68 0.74 0.00 4.21 0.00 -1.26 -0.20 120.51 124.68 2bse n ALA 41 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2bse n ALA 41 Cb 0.47 -2.78 0.00 0.00 0.00 0.00 0.00 19.45 17.14 2bse n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bse n GLY 42 N 6.27 2.35 3.97 0.00 0.00 -1.26 -5.07 105.19 111.45 2bse n GLY 42 Ca 0.46 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2bse n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bse s LYS 43 N 0.00 1.05 0.11 1.61 -0.14 0.72 -5.06 119.74 118.03 2bse s LYS 43 Ca 0.00 -0.94 -0.27 0.00 -1.36 0.00 0.00 55.97 53.39 2bse s LYS 43 Cb 0.00 -2.12 -0.06 0.00 -1.68 0.00 0.00 37.83 33.97 2bse s LYS 43 CO 0.00 -1.99 0.85 -1.21 -0.76 0.00 0.00 175.35 172.25 2bse s GLU 44 N -5.50 4.62 0.24 1.68 0.41 -1.26 -4.49 118.70 114.40 2bse s GLU 44 Ca 0.71 1.26 -0.30 0.00 -0.41 0.00 0.00 54.97 56.23 2bse s GLU 44 Cb -0.03 -3.34 -0.11 0.00 -1.78 0.00 0.00 34.13 28.87 2bse s GLU 44 CO 0.49 0.34 1.53 -2.14 -0.49 0.00 0.00 175.26 174.99 2bse s PRO 45 N -0.36 4.21 0.01 0.39 0.02 -1.26 -4.57 135.00 133.43 2bse s PRO 45 Ca 0.41 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.85 2bse s PRO 45 Cb -0.23 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 31.19 2bse s PRO 45 CO 0.27 -0.54 -0.02 -1.83 -0.33 0.00 0.00 177.00 174.54 2bse s GLU 46 N 0.05 0.20 0.10 5.54 -1.05 -0.88 -4.91 118.70 117.74 2bse s GLU 46 Ca 0.64 -0.22 -0.31 0.00 -0.15 0.00 0.00 54.97 54.94 2bse s GLU 46 Cb -0.44 -0.11 -0.10 0.00 -0.44 0.00 0.00 34.13 33.04 2bse s GLU 46 CO 0.41 0.02 1.77 -1.17 0.95 0.00 0.00 175.26 177.25 2bse s LEU 47 N -0.42 4.39 -0.07 1.83 1.98 -1.26 -0.36 118.68 124.77 2bse s LEU 47 Ca -0.03 2.66 0.03 0.00 -2.89 0.00 0.00 54.13 53.90 2bse s LEU 47 Cb -0.03 -3.56 -0.07 0.00 0.66 0.00 0.00 46.19 43.19 2bse s LEU 47 CO -0.00 -0.97 -0.02 0.55 -1.89 0.00 0.00 176.35 174.02 2bse n VAL 48 N 4.77 0.46 -3.69 1.68 3.14 -0.69 -4.68 118.33 119.33 2bse n VAL 48 Ca 0.17 -0.23 -0.14 0.00 -2.96 0.00 0.00 64.34 61.18 2bse n VAL 48 Cb 0.39 -0.81 -0.08 0.00 -1.06 0.00 0.00 33.84 32.28 2bse n VAL 48 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2bse s VAL 49 N -2.16 0.02 -0.04 1.55 0.11 -1.17 -1.09 120.40 117.61 2bse s VAL 49 Ca -0.07 -0.13 -0.29 0.00 -2.93 0.00 0.00 61.98 58.56 2bse s VAL 49 Cb 0.02 -0.72 0.09 0.00 -1.53 0.00 0.00 36.38 34.24 2bse s VAL 49 CO 0.23 -0.07 0.77 0.00 -3.33 0.00 0.00 175.10 172.69 2bse s ALA 50 N -0.43 -1.79 -0.07 1.54 0.00 -0.87 -0.11 121.76 120.03 2bse s ALA 50 Ca -0.06 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.13 2bse s ALA 50 Cb -0.03 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2bse s ALA 50 CO 0.03 -0.45 -0.04 -1.17 0.00 0.00 0.00 175.76 174.13 2bse s LEU 51 N -1.56 1.08 -0.25 0.00 0.20 -0.24 -0.61 118.68 117.30 2bse s LEU 51 Ca -0.05 -0.16 -0.26 0.00 0.69 0.00 0.00 54.13 54.35 2bse s LEU 51 Cb -0.00 -0.54 0.00 0.00 -0.43 0.00 0.00 46.19 45.21 2bse s LEU 51 CO 0.02 -0.11 0.91 0.21 -0.29 0.00 0.00 176.35 177.09 2bse s ASN 52 N 1.39 6.91 0.10 3.68 2.47 0.54 -2.04 114.94 127.99 2bse s ASN 52 Ca -0.03 1.11 -0.14 0.00 0.42 0.00 0.00 52.86 54.22 2bse s ASN 52 Cb -0.13 -2.47 -0.09 0.00 -1.45 0.00 0.00 41.25 37.11 2bse s ASN 52 CO -0.03 -0.59 1.41 -0.26 -3.72 0.00 0.00 177.10 173.91 2bse h PHE 53 N 7.67 0.89 0.00 0.43 -1.00 -0.89 -1.21 116.94 122.83 2bse h PHE 53 Ca -0.22 -0.28 -0.08 0.00 2.81 0.00 0.00 57.97 60.20 2bse h PHE 53 Cb 1.08 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.45 2bse h PHE 53 CO 0.76 1.04 -0.40 -0.44 -1.61 0.00 0.00 178.31 177.67 2bse h ASP 54 N 0.48 0.00 -0.00 2.17 5.19 -1.93 -3.26 116.42 119.06 2bse h ASP 54 Ca 0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2bse h ASP 54 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2bse h ASP 54 CO 0.08 0.40 -0.21 -1.22 -3.12 0.00 0.00 179.24 175.17 2bse n TYR 55 N -3.87 0.00 -3.89 4.55 4.02 -1.23 -5.02 117.16 111.72 2bse n TYR 55 Ca -0.01 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.61 2bse n TYR 55 Cb 0.45 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.77 2bse n TYR 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2bse n ASP 56 N -0.47 -1.24 -4.10 7.72 2.03 -0.47 -5.00 116.55 115.02 2bse n ASP 56 Ca 0.03 -1.00 -0.15 0.00 0.52 0.00 0.00 54.79 54.19 2bse n ASP 56 Cb 0.16 -3.18 -0.12 0.00 -0.72 0.00 0.00 41.12 37.27 2bse n ASP 56 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2bse s MET 57 N -6.42 0.65 0.34 -0.67 -1.94 -1.14 -4.99 119.30 105.13 2bse s MET 57 Ca 0.09 -0.80 0.09 0.00 -1.71 0.00 0.00 55.69 53.36 2bse s MET 57 Cb -0.03 -0.52 -0.06 0.00 2.01 0.00 0.00 34.83 36.22 2bse s MET 57 CO 0.88 0.11 -0.03 0.95 -0.01 0.00 0.00 175.02 176.92 2bse s THR 58 N -1.26 2.46 -0.01 2.05 -4.23 -1.26 -0.34 115.64 113.05 2bse s THR 58 Ca -0.06 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2bse s THR 58 Cb -0.10 -2.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 2bse s THR 58 CO 0.01 -0.19 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.32 2bse s TYR 59 N -2.56 0.94 -0.03 3.99 5.04 0.22 -4.98 117.35 119.98 2bse s TYR 59 Ca 0.34 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.80 2bse s TYR 59 Cb 0.01 -0.61 0.01 0.00 0.35 0.00 0.00 41.96 41.73 2bse s TYR 59 CO 0.18 -0.02 -0.05 0.71 -1.34 0.00 0.00 175.55 175.04 2bse s TYR 60 N -0.26 0.64 0.45 4.97 2.02 -1.26 -2.05 117.35 121.86 2bse s TYR 60 Ca 0.04 -0.15 -0.24 0.00 -0.37 0.00 0.00 57.07 56.35 2bse s TYR 60 Cb -0.04 -0.52 -0.08 0.00 -0.40 0.00 0.00 41.96 40.92 2bse s TYR 60 CO -0.00 -0.11 1.24 0.00 -1.57 0.00 0.00 175.55 175.11 2bse s ALA 61 N 0.49 3.07 0.38 3.71 0.00 -0.25 -4.84 121.76 124.32 2bse s ALA 61 Ca -0.06 1.11 0.16 0.00 0.00 0.00 0.00 51.96 53.16 2bse s ALA 61 Cb -0.10 -3.45 1.02 0.00 0.00 0.00 0.00 23.12 20.60 2bse s ALA 61 CO -0.00 -0.81 1.78 -0.44 0.00 0.00 0.00 175.76 176.29 2bse h ASP 62 N 2.26 0.51 0.93 0.00 3.32 -1.96 -0.67 116.42 120.82 2bse h ASP 62 Ca -0.50 0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 2bse h ASP 62 Cb 1.25 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2bse h ASP 62 CO 0.61 0.13 -0.26 0.77 -1.72 0.00 0.00 179.24 178.77 2bse h SER 63 N 0.47 0.00 -0.31 6.45 4.64 -1.97 -3.18 113.55 119.65 2bse h SER 63 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2bse h SER 63 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2bse h SER 63 CO -0.31 0.26 0.00 1.33 -0.87 0.00 0.00 176.83 177.25 2bse n VAL 64 N -3.41 0.96 -2.03 0.95 0.24 -0.32 -4.96 118.33 109.75 2bse n VAL 64 Ca 0.00 -0.98 -0.42 0.00 -2.04 0.00 0.00 64.34 60.90 2bse n VAL 64 Cb 0.46 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.33 2bse n VAL 64 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2bse s LYS 65 N -0.99 4.24 0.00 7.34 2.20 -0.83 -2.14 119.74 129.56 2bse s LYS 65 Ca 0.21 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 2bse s LYS 65 Cb 0.11 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2bse s LYS 65 CO 0.15 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 2bse n GLY 66 N 3.79 2.98 0.13 5.54 0.00 -1.26 -4.80 105.19 111.58 2bse n GLY 66 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 2bse n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bse n ARG 67 N -0.86 0.68 -3.87 1.61 1.74 -1.08 -4.94 116.66 109.94 2bse n ARG 67 Ca 0.00 0.34 -0.35 0.00 -0.77 0.00 0.00 57.85 57.08 2bse n ARG 67 Cb 0.00 -1.69 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 2bse n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2bse s PHE 68 N -2.50 3.57 -0.01 -1.55 0.40 -0.91 -2.42 117.98 114.57 2bse s PHE 68 Ca -0.26 0.46 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 2bse s PHE 68 Cb 0.07 -1.90 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2bse s PHE 68 CO 0.69 0.67 -0.10 0.99 0.70 0.00 0.00 175.22 178.17 2bse s THR 69 N -1.22 0.76 -0.10 0.64 2.01 -0.57 -4.91 115.64 112.25 2bse s THR 69 Ca 0.23 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.86 2bse s THR 69 Cb -0.13 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.75 2bse s THR 69 CO 0.13 0.22 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.40 2bse s VAL 70 N -0.19 1.73 0.04 3.82 1.01 -1.26 -0.71 120.40 124.85 2bse s VAL 70 Ca 0.03 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2bse s VAL 70 Cb -0.04 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2bse s VAL 70 CO -0.00 0.49 0.08 -0.94 0.00 0.00 0.00 175.10 174.73 2bse s SER 71 N 0.59 0.21 0.00 3.32 1.04 -1.07 -4.99 113.70 112.80 2bse s SER 71 Ca -0.14 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.70 2bse s SER 71 Cb -0.17 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2bse s SER 71 CO 0.05 -0.52 0.00 -2.11 0.98 0.00 0.00 173.24 171.64 2bse n ARG 72 N 0.70 1.72 0.00 4.02 1.85 -1.26 -0.94 116.66 122.74 2bse n ARG 72 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2bse n ARG 72 Cb 0.59 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.00 2bse n ARG 72 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2bse n ASP 73 N -1.91 0.00 0.00 2.89 4.64 -1.24 -4.93 116.55 115.99 2bse n ASP 73 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2bse n ASP 73 Cb 0.00 -0.01 0.00 0.00 -1.04 0.00 0.00 41.12 40.07 2bse n ASP 73 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2bse n SER 74 N -1.25 0.00 -3.39 1.67 3.41 -1.26 -4.97 113.62 107.83 2bse n SER 74 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 2bse n SER 74 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2bse n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bse n GLY 75 N 0.00 4.57 0.00 5.00 0.00 -1.26 -3.69 105.19 109.81 2bse n GLY 75 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2bse n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bse n LYS 76 N 3.10 0.66 -3.61 1.61 5.02 -1.26 -5.05 118.16 118.63 2bse n LYS 76 Ca 0.72 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.75 2bse n LYS 76 Cb 0.24 -0.41 0.06 0.00 -0.02 0.00 0.00 35.03 34.90 2bse n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2bse n ASN 77 N -0.43 -5.84 -4.39 4.39 5.15 -1.24 -4.77 115.26 108.12 2bse n ASN 77 Ca 0.00 -0.57 -0.30 0.00 -0.60 0.00 0.00 54.58 53.11 2bse n ASN 77 Cb 0.00 -4.63 -0.13 0.00 -0.53 0.00 0.00 39.78 34.48 2bse n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2bse s THR 78 N -3.28 2.34 -0.06 -0.44 2.01 -1.26 -2.54 115.64 112.41 2bse s THR 78 Ca 0.57 -1.51 0.01 0.00 0.31 0.00 0.00 61.69 61.07 2bse s THR 78 Cb -0.26 -1.98 0.02 0.00 0.01 0.00 0.00 72.50 70.28 2bse s THR 78 CO 0.70 0.24 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.10 2bse s VAL 79 N -0.95 0.83 -0.08 3.82 1.01 -0.39 -3.72 120.40 120.93 2bse s VAL 79 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2bse s VAL 79 Cb -0.10 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2bse s VAL 79 CO 0.05 0.30 0.08 -0.31 0.00 0.00 0.00 175.10 175.21 2bse s TYR 80 N 0.93 3.38 -0.34 5.22 2.02 -0.12 -2.03 117.35 126.41 2bse s TYR 80 Ca -0.10 0.34 -0.01 0.00 -0.37 0.00 0.00 57.07 56.92 2bse s TYR 80 Cb -0.15 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.65 2bse s TYR 80 CO 0.01 0.60 0.07 -1.17 -1.57 0.00 0.00 175.55 173.48 2bse s LEU 81 N -1.16 4.45 -0.52 -1.29 2.96 0.20 -2.59 118.68 120.73 2bse s LEU 81 Ca 0.17 -1.66 -0.19 0.00 -0.22 0.00 0.00 54.13 52.22 2bse s LEU 81 Cb -0.12 -1.73 0.06 0.00 0.50 0.00 0.00 46.19 44.91 2bse s LEU 81 CO 0.06 -0.37 0.64 -1.58 -1.32 0.00 0.00 176.35 173.79 2bse s GLN 82 N 1.15 3.12 -0.20 1.98 2.00 0.12 -0.69 119.66 127.14 2bse s GLN 82 Ca 0.01 -0.94 -0.14 0.00 -2.00 0.00 0.00 55.36 52.29 2bse s GLN 82 Cb -0.21 -4.12 -0.04 0.00 0.80 0.00 0.00 33.01 29.44 2bse s GLN 82 CO -0.03 -1.27 0.32 -1.64 -0.50 0.00 0.00 175.29 172.17 2bse s MET 83 N 2.67 4.18 0.18 1.67 -1.94 -0.58 -1.51 119.30 123.97 2bse s MET 83 Ca 0.15 0.08 0.07 0.00 -1.71 0.00 0.00 55.69 54.28 2bse s MET 83 Cb -0.20 -3.50 -0.05 0.00 2.01 0.00 0.00 34.83 33.09 2bse s MET 83 CO 0.11 0.06 -0.14 -0.80 -0.01 0.00 0.00 175.02 174.25 2bse s ASN 84 N 0.87 2.37 -1.27 3.03 0.01 -1.02 -2.11 114.94 116.82 2bse s ASN 84 Ca 0.16 -0.99 -0.03 0.00 -0.71 0.00 0.00 52.86 51.29 2bse s ASN 84 Cb -0.14 -0.11 -0.01 0.00 0.41 0.00 0.00 41.25 41.41 2bse s ASN 84 CO 0.06 -0.19 0.70 -1.20 -1.51 0.00 0.00 177.10 174.96 2bse n SER 85 N -0.22 -1.98 -4.69 -1.22 7.64 -1.21 -4.62 113.62 107.32 2bse n SER 85 Ca -0.09 -0.85 -0.42 0.00 1.01 0.00 0.00 58.87 58.51 2bse n SER 85 Cb 0.60 -3.97 -0.03 0.00 -1.01 0.00 0.00 64.21 59.80 2bse n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bse s LEU 86 N -6.58 4.33 0.19 -3.43 1.02 -1.21 -4.75 118.68 108.25 2bse s LEU 86 Ca 0.09 2.17 -0.02 0.00 0.02 0.00 0.00 54.13 56.39 2bse s LEU 86 Cb -0.03 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.58 2bse s LEU 86 CO 0.82 -0.73 0.39 -0.54 0.02 0.00 0.00 176.35 176.31 2bse s LYS 87 N 2.33 3.54 0.34 1.70 1.02 -1.26 -1.84 119.74 125.57 2bse s LYS 87 Ca 0.65 -0.28 0.21 0.00 0.02 0.00 0.00 55.97 56.57 2bse s LYS 87 Cb -0.33 -2.83 1.16 0.00 -0.52 0.00 0.00 37.83 35.31 2bse s LYS 87 CO 0.27 0.41 1.63 -1.00 -0.92 0.00 0.00 175.35 175.74 2bse h PRO 88 N 2.15 0.00 -0.28 -1.68 0.13 -1.90 -0.67 132.00 129.75 2bse h PRO 88 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2bse h PRO 88 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2bse h PRO 88 CO 0.69 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 2bse n GLU 89 N -2.27 1.90 -0.64 0.86 0.28 -1.26 -3.74 120.64 115.78 2bse n GLU 89 Ca -0.01 -1.38 0.09 0.00 -0.16 0.00 0.00 57.16 55.70 2bse n GLU 89 Cb 0.09 -1.38 0.37 0.00 1.43 0.00 0.00 31.44 31.94 2bse n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2bse n ASP 90 N 0.60 4.86 -4.56 -1.84 8.00 -0.26 -4.89 116.55 118.46 2bse n ASP 90 Ca 0.16 -2.48 -0.41 0.00 0.71 0.00 0.00 54.79 52.77 2bse n ASP 90 Cb 0.37 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 2bse n ASP 90 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2bse s THR 91 N -1.91 3.72 0.21 -3.53 -4.23 -1.25 -4.81 115.64 103.85 2bse s THR 91 Ca 0.52 0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 61.35 2bse s THR 91 Cb 0.34 -4.66 0.02 0.00 1.34 0.00 0.00 72.50 69.54 2bse s THR 91 CO 0.24 -1.52 0.55 0.00 -0.54 0.00 0.00 174.62 173.36 2bse s ALA 92 N 6.15 -0.91 -0.17 3.99 0.00 -0.96 -4.52 121.76 125.34 2bse s ALA 92 Ca 0.44 -0.30 -0.22 0.00 0.00 0.00 0.00 51.96 51.88 2bse s ALA 92 Cb -0.09 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 2bse s ALA 92 CO 0.19 -0.85 0.66 -1.50 0.00 0.00 0.00 175.76 174.26 2bse s ILE 93 N -3.90 5.02 -0.32 0.00 2.07 -1.15 -1.73 121.20 121.18 2bse s ILE 93 Ca 0.11 1.27 -0.11 0.00 -1.41 0.00 0.00 60.65 60.51 2bse s ILE 93 Cb -0.02 -3.98 -0.01 0.00 0.13 0.00 0.00 42.46 38.59 2bse s ILE 93 CO 0.00 0.13 0.18 -0.31 -1.91 0.00 0.00 174.94 173.04 2bse s TYR 94 N 1.69 3.20 -0.26 3.50 1.51 -0.36 -2.79 117.35 123.84 2bse s TYR 94 Ca 0.31 -0.44 -0.15 0.00 -1.01 0.00 0.00 57.07 55.78 2bse s TYR 94 Cb -0.16 -2.40 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 2bse s TYR 94 CO 0.12 -0.42 0.38 0.71 -1.11 0.00 0.00 175.55 175.23 2bse s TYR 95 N 1.65 3.27 0.34 2.71 1.51 -0.84 -2.12 117.35 123.88 2bse s TYR 95 Ca 0.05 0.46 -0.27 0.00 -1.01 0.00 0.00 57.07 56.30 2bse s TYR 95 Cb -0.17 -2.56 -0.09 0.00 -0.11 0.00 0.00 41.96 39.02 2bse s TYR 95 CO 0.08 -0.18 1.15 0.00 -1.11 0.00 0.00 175.55 175.49 2bse s ALA 97 N -1.29 0.40 -0.16 0.00 0.00 0.02 -0.90 121.76 119.82 2bse s ALA 97 Ca 0.51 -0.85 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 2bse s ALA 97 Cb -0.32 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.00 2bse s ALA 97 CO 0.41 -0.18 0.42 0.00 0.00 0.00 0.00 175.76 176.40 2bse s ALA 98 N -2.23 -1.03 0.18 0.00 0.00 -0.97 -0.66 121.76 117.04 2bse s ALA 98 Ca -0.06 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.85 2bse s ALA 98 Cb -0.04 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.45 2bse s ALA 98 CO -0.03 -0.20 0.62 -0.98 0.00 0.00 0.00 175.76 175.17 2bse s ARG 99 N 0.24 1.38 -0.24 0.00 1.70 -0.51 -1.74 118.95 119.78 2bse s ARG 99 Ca -0.00 -0.57 -0.07 0.00 -0.47 0.00 0.00 55.73 54.62 2bse s ARG 99 Cb -0.03 0.59 -0.03 0.00 -0.57 0.00 0.00 34.95 34.92 2bse s ARG 99 CO 0.00 -0.61 0.06 0.45 -1.08 0.00 0.00 175.30 174.12 2bse s SER 100 N -2.78 5.09 0.00 -2.89 0.15 -1.26 -0.45 113.70 111.55 2bse s SER 100 Ca 0.03 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2bse s SER 100 Cb -0.02 -1.90 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2bse s SER 100 CO -0.09 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2bse n GLY 101 N 4.73 -0.31 0.00 9.45 0.00 -0.94 -4.96 105.19 113.15 2bse n GLY 101 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2bse n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 102 N 0.00 -2.96 3.77 -0.02 0.00 -1.01 -5.01 105.19 99.95 2bse n GLY 102 Ca 0.00 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.47 2bse n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bse s PHE 103 N -0.86 3.24 -0.11 1.61 2.99 -1.26 -4.87 117.98 118.72 2bse s PHE 103 Ca 0.00 1.57 -0.12 0.00 0.00 0.00 0.00 56.93 58.38 2bse s PHE 103 Cb 0.00 -3.42 0.03 0.00 0.00 0.00 0.00 43.02 39.63 2bse s PHE 103 CO 0.00 -1.17 0.33 0.45 -0.00 0.00 0.00 175.22 174.83 2bse s SER 104 N -0.89 -0.32 0.07 1.36 0.15 -1.26 -5.01 113.70 107.80 2bse s SER 104 Ca 0.51 0.59 0.25 0.00 0.70 0.00 0.00 55.95 57.99 2bse s SER 104 Cb -0.33 0.63 0.51 0.00 -1.71 0.00 0.00 66.02 65.11 2bse s SER 104 CO 0.43 -0.16 1.43 -1.20 1.20 0.00 0.00 173.24 174.94 2bse n SER 105 N 2.66 0.57 -4.70 5.45 7.64 -1.26 -4.78 113.62 119.21 2bse n SER 105 Ca -0.14 0.06 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 2bse n SER 105 Cb 0.57 0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 2bse n SER 105 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2bse s ASN 106 N -3.73 7.19 -1.13 6.43 2.47 -1.26 -4.65 114.94 120.26 2bse s ASN 106 Ca 0.09 1.72 -0.19 0.00 0.42 0.00 0.00 52.86 54.90 2bse s ASN 106 Cb 0.15 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 2bse s ASN 106 CO 0.69 -0.45 2.01 0.54 -3.72 0.00 0.00 177.10 176.17 2bse n ARG 107 N 4.64 2.20 0.00 0.43 3.00 -1.26 -4.64 116.66 121.04 2bse n ARG 107 Ca 0.09 -2.37 0.00 0.00 -0.01 0.00 0.00 57.85 55.55 2bse n ARG 107 Cb 0.48 -3.23 0.00 0.00 0.00 0.00 0.00 32.46 29.72 2bse n ARG 107 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2bse n GLU 108 N 7.03 0.00 -1.48 5.56 0.28 -1.26 -4.92 120.64 125.86 2bse n GLU 108 Ca 0.50 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 57.19 2bse n GLU 108 Cb 0.41 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 2bse n GLU 108 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2bse n LEU 109 N 0.00 7.29 -4.51 -1.84 7.99 -1.26 -4.74 117.00 119.93 2bse n LEU 109 Ca 0.00 -4.19 -0.43 0.00 -0.01 0.00 0.00 56.01 51.38 2bse n LEU 109 Cb 0.00 -1.40 -0.05 0.00 -0.11 0.00 0.00 43.42 41.86 2bse n LEU 109 CO 0.00 1.92 0.65 -0.31 -1.51 0.00 0.00 177.39 178.14 2bse s TYR 110 N 0.11 2.86 0.46 -1.77 1.51 -1.26 -4.62 117.35 114.64 2bse s TYR 110 Ca 0.62 -0.10 0.29 0.00 -1.01 0.00 0.00 57.07 56.87 2bse s TYR 110 Cb 0.26 -3.93 1.60 0.00 -0.11 0.00 0.00 41.96 39.77 2bse s TYR 110 CO -0.09 -1.25 2.13 -0.44 -1.11 0.00 0.00 175.55 174.78 2bse h ASP 111 N 9.22 0.00 -3.86 2.29 3.32 -1.63 -3.41 116.42 122.36 2bse h ASP 111 Ca -0.26 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.16 2bse h ASP 111 Cb 1.08 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.31 2bse h ASP 111 CO 1.05 0.08 -0.86 -0.83 -1.72 0.00 0.00 179.24 176.96 2bse s GLY 112 N -4.17 1.12 -0.08 2.75 0.00 -0.75 -5.02 107.32 101.16 2bse s GLY 112 Ca -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 2bse s GLY 112 CO 0.56 -0.45 0.05 0.86 0.00 0.00 0.00 173.10 174.13 2bse s TRP 113 N 0.03 0.28 0.84 1.90 -0.11 -1.26 -2.30 118.94 118.32 2bse s TRP 113 Ca -0.06 -0.00 -0.12 0.00 1.22 0.00 0.00 56.10 57.14 2bse s TRP 113 Cb -0.13 -0.62 0.10 0.00 -1.50 0.00 0.00 33.47 31.31 2bse s TRP 113 CO 0.04 -0.30 1.10 0.20 -4.62 0.00 0.00 176.95 173.37 2bse s GLY 114 N 2.10 1.61 0.00 5.86 0.00 -0.08 -4.90 107.32 111.91 2bse s GLY 114 Ca 0.04 -0.23 0.29 0.00 0.00 0.00 0.00 44.72 44.82 2bse s GLY 114 CO -0.05 0.24 1.89 -1.06 0.00 0.00 0.00 173.10 174.12 2bse n GLN 115 N -3.61 0.23 0.00 2.90 6.02 -1.26 -4.73 117.38 116.93 2bse n GLN 115 Ca 0.07 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2bse n GLN 115 Cb 0.56 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.33 2bse n GLN 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2bse n GLY 116 N 1.40 0.70 3.53 1.08 0.00 -1.26 -5.01 105.19 105.63 2bse n GLY 116 Ca 0.10 -2.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 2bse n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bse s THR 117 N -1.55 -0.01 -0.30 2.61 -1.32 -0.90 -4.92 115.64 109.25 2bse s THR 117 Ca 0.00 0.03 -0.29 0.00 -1.21 0.00 0.00 61.69 60.22 2bse s THR 117 Cb 0.00 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 2bse s THR 117 CO 0.00 0.01 1.26 -1.58 -2.21 0.00 0.00 174.62 172.11 2bse s GLN 118 N 1.49 3.95 -0.31 7.08 2.00 -1.26 -1.22 119.66 131.38 2bse s GLN 118 Ca -0.09 1.23 -0.08 0.00 -2.00 0.00 0.00 55.36 54.42 2bse s GLN 118 Cb -0.06 -3.85 0.01 0.00 0.80 0.00 0.00 33.01 29.91 2bse s GLN 118 CO -0.17 -1.07 0.11 0.08 -0.50 0.00 0.00 175.29 173.74 2bse s VAL 119 N 4.23 4.10 -0.12 1.34 1.01 -0.71 -1.73 120.40 128.52 2bse s VAL 119 Ca 0.54 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2bse s VAL 119 Cb -0.16 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2bse s VAL 119 CO 0.22 0.01 -0.17 -0.89 0.00 0.00 0.00 175.10 174.26 2bse s THR 120 N 1.51 2.65 -0.32 3.92 2.01 -0.51 -2.27 115.64 122.64 2bse s THR 120 Ca 0.02 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2bse s THR 120 Cb -0.18 -2.08 0.07 0.00 0.01 0.00 0.00 72.50 70.32 2bse s THR 120 CO 0.03 0.54 0.01 -0.69 -0.69 0.00 0.00 174.62 173.82 2bse s VAL 121 N 0.41 2.64 0.00 3.82 1.01 -1.26 -1.82 120.40 125.20 2bse s VAL 121 Ca -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 61.98 60.06 2bse s VAL 121 Cb -0.17 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.54 2bse s VAL 121 CO 0.06 -0.29 0.00 -1.54 0.00 0.00 0.00 175.10 173.33 2bse n SER 122 N 4.48 0.09 0.00 3.32 3.41 -1.12 -4.57 113.62 119.23 2bse n SER 122 Ca -0.08 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.28 2bse n SER 122 Cb 0.42 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 65.01 2bse n SER 122 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64