#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ims s LEU 12 N 0.00 -0.54 0.13 1.53 2.96 -1.25 -0.73 118.68 120.78 3ims s LEU 12 Ca 0.00 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3ims s LEU 12 Cb 0.00 0.94 -0.04 0.00 0.50 0.00 0.00 46.19 47.60 3ims s LEU 12 CO 0.00 -0.32 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.51 3ims s MET 13 N 2.49 1.11 -0.01 1.98 -1.94 -0.17 -4.42 119.30 118.35 3ims s MET 13 Ca 0.11 -1.27 0.05 0.00 -1.71 0.00 0.00 55.69 52.87 3ims s MET 13 Cb -0.15 -1.10 -0.01 0.00 2.01 0.00 0.00 34.83 35.58 3ims s MET 13 CO -0.19 0.22 -0.16 0.08 -0.01 0.00 0.00 175.02 174.96 3ims s VAL 14 N -1.95 1.28 -0.05 -6.03 1.01 -0.78 -0.93 120.40 112.96 3ims s VAL 14 Ca 0.10 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3ims s VAL 14 Cb -0.06 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.26 3ims s VAL 14 CO 0.04 0.34 -0.07 -0.75 0.00 0.00 0.00 175.10 174.67 3ims s LYS 15 N -0.44 1.10 -0.06 2.72 2.20 -0.12 -0.49 119.74 124.65 3ims s LYS 15 Ca 0.06 -0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.49 3ims s LYS 15 Cb -0.06 -1.01 0.01 0.00 -1.51 0.00 0.00 37.83 35.25 3ims s LYS 15 CO -0.00 -0.04 -0.12 0.08 -0.36 0.00 0.00 175.35 174.90 3ims s VAL 16 N 0.82 1.11 0.19 4.02 1.01 -0.06 -0.95 120.40 126.54 3ims s VAL 16 Ca -0.12 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.49 3ims s VAL 16 Cb -0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 3ims s VAL 16 CO 0.01 0.35 -0.23 -0.76 0.00 0.00 0.00 175.10 174.47 3ims s LEU 17 N 0.58 2.46 -0.27 3.92 1.43 -0.11 -1.14 118.68 125.56 3ims s LEU 17 Ca -0.13 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.07 3ims s LEU 17 Cb -0.15 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 44.89 3ims s LEU 17 CO 0.03 0.12 0.02 -0.62 0.23 0.00 0.00 176.35 176.13 3ims s ASP 18 N -2.69 4.75 0.00 2.29 -1.08 0.56 -0.93 116.67 119.57 3ims s ASP 18 Ca 0.21 -0.69 0.29 0.00 -0.52 0.00 0.00 52.55 51.84 3ims s ASP 18 Cb -0.08 -1.79 1.26 0.00 -1.46 0.00 0.00 42.92 40.85 3ims s ASP 18 CO 0.10 -0.14 1.93 0.00 0.52 0.00 0.00 175.17 177.58 3ims n ALA 19 N 4.80 2.33 -0.07 3.66 0.00 -0.06 -1.37 120.51 129.79 3ims n ALA 19 Ca -0.16 -0.11 -0.21 0.00 0.00 0.00 0.00 53.44 52.97 3ims n ALA 19 Cb 0.48 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 3ims n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ims h VAL 20 N 0.00 0.95 0.00 0.00 2.07 -1.95 -3.39 116.25 113.92 3ims h VAL 20 Ca 0.00 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.27 3ims h VAL 20 Cb 0.45 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3ims h VAL 20 CO 0.00 0.49 -0.81 0.54 0.02 0.00 0.00 177.57 177.81 3ims n ARG 21 N -4.21 0.04 -2.88 1.57 1.74 -1.24 -4.99 116.66 106.68 3ims n ARG 21 Ca -0.29 -0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.68 3ims n ARG 21 Cb 0.76 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.75 3ims n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ims n GLY 22 N 1.48 -0.11 3.44 -0.13 0.00 -0.47 -5.04 105.19 104.36 3ims n GLY 22 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 3ims n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ims s SER 23 N -3.80 -0.06 0.68 1.61 1.04 -1.10 -5.01 113.70 107.05 3ims s SER 23 Ca 0.03 -0.80 -0.17 0.00 0.48 0.00 0.00 55.95 55.49 3ims s SER 23 Cb -0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 3ims s SER 23 CO 0.47 -0.99 1.04 -2.65 0.98 0.00 0.00 173.24 172.09 3ims n PRO 24 N -0.29 0.73 -3.20 4.02 -0.02 -1.26 -0.32 135.00 134.66 3ims n PRO 24 Ca -0.06 0.30 -0.45 0.00 -2.02 0.00 0.00 63.50 61.27 3ims n PRO 24 Cb 0.63 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 3ims n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ims s ALA 25 N -1.65 3.47 0.07 3.55 0.00 -0.29 -4.51 121.76 122.39 3ims s ALA 25 Ca 0.76 -2.11 -0.13 0.00 0.00 0.00 0.00 51.96 50.49 3ims s ALA 25 Cb -0.37 -3.36 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 3ims s ALA 25 CO 0.47 -2.09 0.44 0.42 0.00 0.00 0.00 175.76 175.00 3ims s ILE 26 N 2.33 5.01 -1.36 0.00 1.01 -1.26 -4.34 121.20 122.59 3ims s ILE 26 Ca 0.10 0.67 -0.09 0.00 0.00 0.00 0.00 60.65 61.34 3ims s ILE 26 Cb -0.24 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.56 3ims s ILE 26 CO 0.07 0.36 1.15 -3.20 0.00 0.00 0.00 174.94 173.33 3ims n ASN 27 N 1.15 -5.88 -4.66 3.58 5.15 -0.40 -4.95 115.26 109.25 3ims n ASN 27 Ca -0.09 -0.57 -0.40 0.00 -0.60 0.00 0.00 54.58 52.92 3ims n ASN 27 Cb 0.52 -4.93 -0.06 0.00 -0.53 0.00 0.00 39.78 34.78 3ims n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ims s VAL 28 N -3.32 5.03 0.26 3.44 1.01 -1.26 -4.77 120.40 120.79 3ims s VAL 28 Ca 0.55 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.38 3ims s VAL 28 Cb -0.24 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 3ims s VAL 28 CO 0.74 0.11 1.10 0.00 0.00 0.00 0.00 175.10 177.06 3ims s ALA 29 N 1.93 3.40 -0.04 5.51 0.00 -1.26 -1.12 121.76 130.17 3ims s ALA 29 Ca 0.28 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3ims s ALA 29 Cb -0.16 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.65 3ims s ALA 29 CO 0.10 -0.18 -0.05 0.08 0.00 0.00 0.00 175.76 175.72 3ims s VAL 30 N -0.95 0.55 -0.08 0.00 1.01 0.03 -0.87 120.40 120.09 3ims s VAL 30 Ca 0.46 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.35 3ims s VAL 30 Cb -0.32 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3ims s VAL 30 CO 0.40 0.22 -0.24 -1.00 0.00 0.00 0.00 175.10 174.48 3ims s HIS 31 N 0.87 2.51 -0.11 5.22 3.76 -0.11 -1.20 115.29 126.23 3ims s HIS 31 Ca -0.12 -0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 53.89 3ims s HIS 31 Cb -0.14 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.86 3ims s HIS 31 CO 0.00 -0.32 -0.08 0.08 -0.85 0.00 0.00 174.74 173.57 3ims s VAL 32 N 0.11 3.54 0.25 -0.90 1.01 0.20 -0.36 120.40 124.26 3ims s VAL 32 Ca -0.12 -0.51 0.11 0.00 0.00 0.00 0.00 61.98 61.46 3ims s VAL 32 Cb -0.16 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3ims s VAL 32 CO 0.07 0.54 -0.19 -0.36 0.00 0.00 0.00 175.10 175.16 3ims s PHE 33 N -0.10 2.14 -0.03 5.22 0.40 0.08 -0.71 117.98 124.98 3ims s PHE 33 Ca 0.00 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 3ims s PHE 33 Cb -0.13 -0.95 -0.00 0.00 0.51 0.00 0.00 43.02 42.44 3ims s PHE 33 CO 0.03 0.61 -0.14 0.50 0.70 0.00 0.00 175.22 176.92 3ims s ARG 34 N -3.46 1.41 0.08 0.44 3.52 0.09 -0.92 118.95 120.11 3ims s ARG 34 Ca 0.27 -0.49 -0.31 0.00 -0.13 0.00 0.00 55.73 55.07 3ims s ARG 34 Cb -0.04 -1.27 -0.06 0.00 -1.56 0.00 0.00 34.95 32.02 3ims s ARG 34 CO 0.12 0.21 1.27 0.21 -0.81 0.00 0.00 175.30 176.31 3ims s LYS 35 N 0.04 4.38 0.68 5.12 2.20 0.10 -1.16 119.74 131.11 3ims s LYS 35 Ca -0.02 1.89 -0.03 0.00 -0.36 0.00 0.00 55.97 57.44 3ims s LYS 35 Cb -0.10 -3.32 0.08 0.00 -1.51 0.00 0.00 37.83 32.99 3ims s LYS 35 CO 0.01 -0.34 0.96 0.00 -0.36 0.00 0.00 175.35 175.63 3ims s ALA 36 N 1.14 3.48 0.53 3.13 0.00 0.39 -4.70 121.76 125.72 3ims s ALA 36 Ca 0.61 -1.32 0.20 0.00 0.00 0.00 0.00 51.96 51.45 3ims s ALA 36 Cb -0.32 -2.27 1.41 0.00 0.00 0.00 0.00 23.12 21.94 3ims s ALA 36 CO 0.29 -1.28 2.17 0.00 0.00 0.00 0.00 175.76 176.94 3ims h ALA 37 N -0.46 1.82 -0.22 0.00 0.00 -1.95 0.35 119.26 118.81 3ims h ALA 37 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ims h ALA 37 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3ims h ALA 37 CO 0.50 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 3ims n ASP 38 N -4.31 1.31 0.00 0.00 5.68 -1.26 -4.91 116.55 113.07 3ims n ASP 38 Ca -0.03 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 3ims n ASP 38 Cb 0.10 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 3ims n ASP 38 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ims n ASP 39 N 0.18 -2.68 -4.89 -1.12 9.92 0.11 -5.03 116.55 113.03 3ims n ASP 39 Ca 0.11 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 54.07 3ims n ASP 39 Cb 0.23 -1.03 0.03 0.00 -0.64 0.00 0.00 41.12 39.71 3ims n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ims s THR 40 N -2.19 3.82 -0.55 -3.53 -4.23 -1.26 -4.72 115.64 102.98 3ims s THR 40 Ca 0.00 0.39 -0.20 0.00 -1.18 0.00 0.00 61.69 60.70 3ims s THR 40 Cb 0.00 -3.56 0.07 0.00 1.34 0.00 0.00 72.50 70.35 3ims s THR 40 CO 0.00 -0.68 0.72 0.26 -0.54 0.00 0.00 174.62 174.38 3ims s TRP 41 N -3.19 2.96 0.12 3.99 0.52 -1.26 -0.46 118.94 121.62 3ims s TRP 41 Ca 0.56 -0.58 -0.18 0.00 0.02 0.00 0.00 56.10 55.92 3ims s TRP 41 Cb -0.11 -3.81 -0.07 0.00 -1.15 0.00 0.00 33.47 28.33 3ims s TRP 41 CO 0.50 -1.21 0.59 -1.21 0.02 0.00 0.00 176.95 175.64 3ims s GLU 42 N 2.97 4.15 0.37 4.98 2.02 -0.31 -4.83 118.70 128.05 3ims s GLU 42 Ca 0.17 0.69 -0.28 0.00 0.02 0.00 0.00 54.97 55.57 3ims s GLU 42 Cb -0.19 -3.10 -0.11 0.00 0.10 0.00 0.00 34.13 30.83 3ims s GLU 42 CO 0.11 0.56 1.46 -2.14 0.02 0.00 0.00 175.26 175.27 3ims s PRO 43 N -1.47 4.14 0.00 0.39 0.02 -1.26 -0.74 135.00 136.08 3ims s PRO 43 Ca 0.34 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.88 3ims s PRO 43 Cb -0.18 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3ims s PRO 43 CO 0.20 -0.49 0.00 0.34 -0.33 0.00 0.00 177.00 176.72 3ims n PHE 44 N 0.53 0.00 -3.51 6.54 7.35 0.11 -4.74 117.46 123.73 3ims n PHE 44 Ca 0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 3ims n PHE 44 Cb 0.40 0.04 -0.03 0.00 0.35 0.00 0.00 39.48 40.24 3ims n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ims s ALA 45 N -1.99 -1.83 0.16 3.13 0.00 -0.95 -5.00 121.76 115.29 3ims s ALA 45 Ca 0.00 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 3ims s ALA 45 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.29 3ims s ALA 45 CO 0.00 -0.58 0.39 -1.54 0.00 0.00 0.00 175.76 174.03 3ims s SER 46 N -2.08 -0.12 0.00 0.00 1.04 -1.26 0.63 113.70 111.92 3ims s SER 46 Ca 0.02 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.79 3ims s SER 46 Cb -0.01 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 3ims s SER 46 CO -0.05 -0.94 0.20 0.61 0.98 0.00 0.00 173.24 174.04 3ims n GLY 47 N -0.25 0.70 3.05 7.32 0.00 -0.34 -4.93 105.19 110.72 3ims n GLY 47 Ca -0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 3ims n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ims s LYS 48 N -2.00 0.49 0.47 1.61 -2.85 -1.26 -0.79 119.74 115.41 3ims s LYS 48 Ca 0.05 -0.87 -0.22 0.00 -1.00 0.00 0.00 55.97 53.93 3ims s LYS 48 Cb -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 37.83 35.70 3ims s LYS 48 CO 0.00 -0.04 1.14 0.95 0.10 0.00 0.00 175.35 177.51 3ims s THR 49 N -2.26 3.19 0.21 3.79 -4.23 -0.28 -4.71 115.64 111.35 3ims s THR 49 Ca -0.06 0.86 -0.03 0.00 -1.18 0.00 0.00 61.69 61.27 3ims s THR 49 Cb -0.04 -3.41 0.05 0.00 1.34 0.00 0.00 72.50 70.43 3ims s THR 49 CO -0.03 -0.05 0.28 -1.54 -0.54 0.00 0.00 174.62 172.74 3ims n SER 50 N -0.65 0.04 0.31 3.99 3.41 0.15 -1.28 113.62 119.60 3ims n SER 50 Ca 0.08 -1.11 0.20 0.00 -0.26 0.00 0.00 58.87 57.78 3ims n SER 50 Cb 0.49 -0.21 1.02 0.00 -0.26 0.00 0.00 64.21 65.25 3ims n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ims h GLU 51 N 0.00 0.00 -0.03 4.33 4.39 -1.94 -0.37 114.58 120.97 3ims h GLU 51 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3ims h GLU 51 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3ims h GLU 51 CO 0.07 0.02 0.00 -1.13 -1.16 0.00 0.00 179.01 176.80 3ims n SER 52 N -3.25 1.67 0.00 1.42 3.41 -1.26 -4.78 113.62 110.84 3ims n SER 52 Ca -0.02 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 3ims n SER 52 Cb 0.14 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3ims n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ims n GLY 53 N 1.19 0.53 3.75 5.00 0.00 -0.15 -4.77 105.19 110.74 3ims n GLY 53 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3ims n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ims s GLU 54 N -0.04 2.77 -0.18 1.61 2.02 -1.26 -0.88 118.70 122.74 3ims s GLU 54 Ca 0.00 -0.74 -0.02 0.00 0.02 0.00 0.00 54.97 54.23 3ims s GLU 54 Cb 0.00 -2.67 0.05 0.00 0.10 0.00 0.00 34.13 31.62 3ims s GLU 54 CO 0.00 0.56 0.02 -1.17 0.02 0.00 0.00 175.26 174.69 3ims s LEU 55 N -2.36 1.14 0.37 1.80 2.96 0.36 -0.67 118.68 122.28 3ims s LEU 55 Ca 0.28 -0.71 0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3ims s LEU 55 Cb -0.12 -0.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.92 3ims s LEU 55 CO 0.21 -0.28 0.11 -1.00 -1.32 0.00 0.00 176.35 174.06 3ims s HIS 56 N 1.85 2.61 -0.36 5.38 3.76 -1.26 -1.86 115.29 125.40 3ims s HIS 56 Ca -0.00 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 3ims s HIS 56 Cb -0.16 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.81 3ims s HIS 56 CO -0.08 0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.56 3ims n GLY 57 N -1.11 0.65 0.22 -2.22 0.00 -1.26 -4.93 105.19 96.54 3ims n GLY 57 Ca -0.03 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 3ims n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ims h LEU 58 N 0.00 0.64 0.00 0.99 3.38 -1.87 -3.47 115.31 114.97 3ims h LEU 58 Ca -0.07 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3ims h LEU 58 Cb 0.28 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ims h LEU 58 CO 0.10 0.53 -0.06 1.07 0.09 0.00 0.00 178.44 180.18 3ims n THR 59 N -4.65 0.00 -4.29 0.22 5.66 -1.26 -4.75 114.28 105.20 3ims n THR 59 Ca 0.02 -0.56 -0.16 0.00 -3.05 0.00 0.00 64.05 60.30 3ims n THR 59 Cb 0.07 0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.09 3ims n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3ims s THR 60 N -2.53 1.42 0.30 1.09 -4.23 -1.26 -4.70 115.64 105.73 3ims s THR 60 Ca 0.09 -2.11 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 3ims s THR 60 Cb -0.00 -1.92 0.29 0.00 1.34 0.00 0.00 72.50 72.22 3ims s THR 60 CO 0.07 -0.67 1.82 -0.33 -0.54 0.00 0.00 174.62 174.97 3ims h GLU 61 N 2.72 0.86 -0.07 3.99 5.08 -2.00 -0.67 114.58 124.50 3ims h GLU 61 Ca -0.37 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 3ims h GLU 61 Cb 1.20 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3ims h GLU 61 CO 0.62 0.57 0.02 0.93 -1.00 0.00 0.00 179.01 180.15 3ims h GLU 62 N 0.89 0.11 0.00 2.33 5.08 -2.04 -3.28 114.58 117.68 3ims h GLU 62 Ca 0.53 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.78 3ims h GLU 62 Cb 0.66 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3ims h GLU 62 CO -0.30 0.30 -0.40 0.93 -1.00 0.00 0.00 179.01 178.53 3ims h GLU 63 N -0.09 0.00 -4.42 2.33 5.08 -1.88 -3.39 114.58 112.21 3ims h GLU 63 Ca 0.02 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.65 3ims h GLU 63 Cb 0.23 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.35 3ims h GLU 63 CO -0.00 0.40 1.94 0.34 -1.00 0.00 0.00 179.01 180.69 3ims n PHE 64 N -3.34 4.07 -2.11 4.33 7.35 -0.29 -4.95 117.46 122.52 3ims n PHE 64 Ca 0.01 -3.04 -0.28 0.00 -0.76 0.00 0.00 57.45 53.38 3ims n PHE 64 Cb 0.60 -2.23 0.14 0.00 0.35 0.00 0.00 39.48 38.34 3ims n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3ims s VAL 65 N 1.80 2.08 0.51 -2.13 -7.23 -1.26 -4.95 120.40 109.23 3ims s VAL 65 Ca 0.44 -0.17 -0.21 0.00 -1.81 0.00 0.00 61.98 60.23 3ims s VAL 65 Cb 0.05 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 34.00 3ims s VAL 65 CO 0.00 0.00 0.96 1.21 -0.31 0.00 0.00 175.10 176.97 3ims n GLU 66 N -3.37 1.12 -3.81 4.82 0.00 -1.26 -4.79 120.64 113.34 3ims n GLU 66 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 57.16 57.70 3ims n GLU 66 Cb 0.60 -2.09 0.00 0.00 0.00 0.00 0.00 31.44 29.95 3ims n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ims n GLY 67 N 1.26 -2.40 3.55 8.31 0.00 -1.07 -5.00 105.19 109.84 3ims n GLY 67 Ca 0.11 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 3ims n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ims s ILE 68 N -2.16 5.09 0.06 -0.61 1.01 -1.26 -0.81 121.20 122.52 3ims s ILE 68 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.74 3ims s ILE 68 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3ims s ILE 68 CO 0.00 0.23 -0.08 -0.31 0.00 0.00 0.00 174.94 174.78 3ims s TYR 69 N 1.72 2.83 -0.18 3.97 1.51 0.15 -0.72 117.35 126.63 3ims s TYR 69 Ca 0.07 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.04 3ims s TYR 69 Cb -0.16 -1.52 0.03 0.00 -0.11 0.00 0.00 41.96 40.20 3ims s TYR 69 CO 0.09 0.40 -0.13 0.21 -1.11 0.00 0.00 175.55 175.01 3ims s LYS 70 N -1.84 2.28 -0.37 -0.62 2.20 -0.09 -1.17 119.74 120.13 3ims s LYS 70 Ca 0.20 -0.77 -0.13 0.00 -0.36 0.00 0.00 55.97 54.91 3ims s LYS 70 Cb -0.11 -2.36 0.01 0.00 -1.51 0.00 0.00 37.83 33.86 3ims s LYS 70 CO 0.11 -0.34 0.24 0.08 -0.36 0.00 0.00 175.35 175.09 3ims s VAL 71 N 1.40 4.98 -0.30 4.02 1.01 0.66 -0.74 120.40 131.43 3ims s VAL 71 Ca 0.01 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 3ims s VAL 71 Cb -0.15 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 3ims s VAL 71 CO -0.10 -0.17 0.14 -0.70 0.00 0.00 0.00 175.10 174.27 3ims s GLU 72 N 1.64 3.40 -0.29 2.72 2.12 0.52 -0.69 118.70 128.12 3ims s GLU 72 Ca 0.04 -0.67 -0.10 0.00 0.36 0.00 0.00 54.97 54.60 3ims s GLU 72 Cb -0.18 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 3ims s GLU 72 CO 0.09 -0.37 0.16 0.42 -0.54 0.00 0.00 175.26 175.02 3ims s ILE 73 N 1.62 4.93 -1.36 -3.70 1.01 0.35 -0.93 121.20 123.11 3ims s ILE 73 Ca 0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 3ims s ILE 73 Cb -0.17 -3.41 0.08 0.00 0.01 0.00 0.00 42.46 38.97 3ims s ILE 73 CO 0.06 0.18 1.96 0.47 0.00 0.00 0.00 174.94 177.60 3ims n ASP 74 N 5.02 4.50 0.02 3.58 8.00 -0.05 -0.98 116.55 136.65 3ims n ASP 74 Ca -0.14 -2.92 -0.08 0.00 0.71 0.00 0.00 54.79 52.36 3ims n ASP 74 Cb 0.51 -1.65 0.08 0.00 -0.02 0.00 0.00 41.12 40.04 3ims n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ims h THR 75 N 4.48 1.32 -0.47 -3.53 1.35 -1.86 -2.65 112.91 111.56 3ims h THR 75 Ca 0.48 -1.75 -0.04 0.00 -0.55 0.00 0.00 66.41 64.55 3ims h THR 75 Cb 0.73 1.74 -0.02 0.00 -1.73 0.00 0.00 68.15 68.87 3ims h THR 75 CO 1.66 0.54 0.14 0.50 -0.25 0.00 0.00 175.52 178.12 3ims h LYS 76 N 0.39 0.74 -0.70 4.72 3.64 -1.66 -1.21 116.57 122.49 3ims h LYS 76 Ca 0.01 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3ims h LYS 76 Cb 1.03 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.71 3ims h LYS 76 CO 0.09 0.71 0.41 0.77 -2.27 0.00 0.00 179.45 179.16 3ims h SER 77 N 0.63 0.84 0.21 4.20 0.02 -1.80 0.39 113.55 118.04 3ims h SER 77 Ca 0.15 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3ims h SER 77 Cb 0.28 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3ims h SER 77 CO -0.00 0.66 -0.10 0.22 -1.14 0.00 0.00 176.83 176.47 3ims h TYR 78 N 0.97 -0.26 -0.58 3.45 3.20 -1.05 -1.47 116.97 121.23 3ims h TYR 78 Ca 0.25 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 3ims h TYR 78 Cb -0.02 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3ims h TYR 78 CO 0.00 -0.09 -0.05 -1.49 -1.64 0.00 0.00 178.16 174.90 3ims h TRP 79 N -0.37 1.17 -0.63 -3.82 4.06 -0.96 -2.75 115.95 112.64 3ims h TRP 79 Ca -0.03 -0.22 -0.05 0.00 2.06 0.00 0.00 58.89 60.65 3ims h TRP 79 Cb 0.29 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 3ims h TRP 79 CO -0.04 1.05 0.20 0.87 -3.56 0.00 0.00 178.44 176.96 3ims h LYS 80 N 0.95 0.96 0.00 0.49 1.79 -0.71 -0.14 116.57 119.91 3ims h LYS 80 Ca 0.16 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3ims h LYS 80 Cb 0.62 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3ims h LYS 80 CO 0.04 0.83 -0.05 0.00 -1.08 0.00 0.00 179.45 179.18 3ims h ALA 81 N 1.28 1.20 -0.06 3.86 0.00 -0.99 -0.82 119.26 123.74 3ims h ALA 81 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ims h ALA 81 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ims h ALA 81 CO -0.01 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.59 3ims n LEU 82 N -3.44 1.86 0.00 0.00 4.77 -0.62 -4.95 117.00 114.62 3ims n LEU 82 Ca -0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3ims n LEU 82 Cb 0.18 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3ims n LEU 82 CO 0.27 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3ims n GLY 83 N 1.21 0.53 3.36 -0.72 0.00 -0.31 -5.05 105.19 104.21 3ims n GLY 83 Ca 0.18 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 45.02 3ims n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ims s ILE 84 N -2.00 2.33 -0.54 -0.61 1.01 -0.16 -4.98 121.20 116.25 3ims s ILE 84 Ca 0.00 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 3ims s ILE 84 Cb 0.00 -1.86 0.09 0.00 0.01 0.00 0.00 42.46 40.71 3ims s ILE 84 CO 0.00 0.53 0.59 -0.55 0.00 0.00 0.00 174.94 175.51 3ims s SER 85 N -0.80 6.19 0.63 3.58 0.15 -1.26 -2.70 113.70 119.48 3ims s SER 85 Ca 0.11 -1.38 0.03 0.00 0.70 0.00 0.00 55.95 55.41 3ims s SER 85 Cb -0.10 -2.26 0.09 0.00 -1.71 0.00 0.00 66.02 62.04 3ims s SER 85 CO 0.00 -0.93 0.87 -2.16 1.20 0.00 0.00 173.24 172.22 3ims s PRO 86 N 2.24 2.11 -0.13 5.44 0.04 -1.26 -5.01 135.00 138.43 3ims s PRO 86 Ca 0.09 -1.17 -0.21 0.00 0.04 0.00 0.00 61.00 59.75 3ims s PRO 86 Cb -0.24 -2.47 -0.19 0.00 0.04 0.00 0.00 34.50 31.64 3ims s PRO 86 CO 0.07 -1.06 0.55 0.35 0.04 0.00 0.00 177.00 176.95 3ims h PHE 87 N -0.14 0.00 -3.76 0.56 3.57 -1.47 -3.47 116.94 112.22 3ims h PHE 87 Ca -0.36 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.65 3ims h PHE 87 Cb 1.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 3ims h PHE 87 CO 0.12 0.74 0.13 -1.01 -2.23 0.00 0.00 178.31 176.06 3ims s HIS 88 N -2.05 3.41 0.06 0.41 3.76 -1.26 -4.99 115.29 114.63 3ims s HIS 88 Ca -0.14 1.19 -0.16 0.00 -0.15 0.00 0.00 55.06 55.80 3ims s HIS 88 Cb -0.02 -2.53 -0.19 0.00 1.11 0.00 0.00 32.58 30.95 3ims s HIS 88 CO 0.50 -0.01 1.22 0.93 -0.85 0.00 0.00 174.74 176.54 3ims h GLU 89 N 1.83 0.61 -2.96 1.40 4.39 -1.97 -3.36 114.58 114.52 3ims h GLU 89 Ca -0.48 -0.55 0.05 0.00 0.34 0.00 0.00 59.36 58.73 3ims h GLU 89 Cb 1.18 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.92 3ims h GLU 89 CO 0.64 1.17 0.26 -3.38 -1.16 0.00 0.00 179.01 176.54 3ims s HIS 90 N -3.56 -0.09 -0.13 4.33 -3.43 -1.26 -2.72 115.29 108.43 3ims s HIS 90 Ca -0.12 -0.43 -0.01 0.00 -0.80 0.00 0.00 55.06 53.70 3ims s HIS 90 Cb 0.06 0.75 -0.02 0.00 -1.43 0.00 0.00 32.58 31.94 3ims s HIS 90 CO 0.86 -1.32 -0.09 0.00 -2.00 0.00 0.00 174.74 172.19 3ims s ALA 91 N -3.37 2.79 -0.04 -1.38 0.00 -0.15 -4.86 121.76 114.75 3ims s ALA 91 Ca 0.13 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.27 3ims s ALA 91 Cb -0.05 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 3ims s ALA 91 CO 0.08 0.29 -0.19 -1.21 0.00 0.00 0.00 175.76 174.73 3ims s GLU 92 N 0.18 2.38 -0.17 0.00 2.02 -1.26 -0.50 118.70 121.35 3ims s GLU 92 Ca -0.05 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 3ims s GLU 92 Cb -0.15 -2.25 0.05 0.00 0.10 0.00 0.00 34.13 31.88 3ims s GLU 92 CO 0.04 0.58 -0.02 0.08 0.02 0.00 0.00 175.26 175.97 3ims s VAL 93 N -0.64 0.85 -0.14 2.63 1.01 0.14 -4.98 120.40 119.27 3ims s VAL 93 Ca 0.10 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3ims s VAL 93 Cb -0.11 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3ims s VAL 93 CO 0.00 0.01 -0.22 -0.69 0.00 0.00 0.00 175.10 174.20 3ims s VAL 94 N 1.73 2.07 -0.01 2.92 1.01 -1.26 -0.24 120.40 126.62 3ims s VAL 94 Ca 0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.77 3ims s VAL 94 Cb -0.16 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.45 3ims s VAL 94 CO -0.07 0.55 0.52 0.72 0.00 0.00 0.00 175.10 176.81 3ims s PHE 95 N 0.79 -0.44 -0.01 5.22 -0.71 -0.31 -4.99 117.98 117.53 3ims s PHE 95 Ca -0.08 0.67 -0.29 0.00 -1.04 0.00 0.00 56.93 56.19 3ims s PHE 95 Cb -0.16 0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 3ims s PHE 95 CO -0.01 -0.55 0.93 0.99 -1.34 0.00 0.00 175.22 175.23 3ims s THR 96 N -1.59 4.88 0.01 -4.49 2.01 -1.26 -0.67 115.64 114.53 3ims s THR 96 Ca -0.10 1.94 0.06 0.00 0.31 0.00 0.00 61.69 63.90 3ims s THR 96 Cb -0.02 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 3ims s THR 96 CO 0.05 0.19 -0.17 0.00 -0.69 0.00 0.00 174.62 174.00 3ims s ALA 97 N 0.91 2.61 -1.43 7.40 0.00 0.01 -4.78 121.76 126.48 3ims s ALA 97 Ca 0.49 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3ims s ALA 97 Cb -0.20 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3ims s ALA 97 CO 0.26 0.57 0.00 0.09 0.00 0.00 0.00 175.76 176.68 3ims n ASN 98 N 1.83 -4.64 0.01 0.00 3.02 -1.26 -2.59 115.26 111.62 3ims n ASN 98 Ca -0.16 0.21 0.13 0.00 -0.03 0.00 0.00 54.58 54.72 3ims n ASN 98 Cb 0.52 -3.58 0.55 0.00 -0.61 0.00 0.00 39.78 36.66 3ims n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ims n ASP 99 N -0.55 0.05 -2.55 6.41 2.03 -1.26 -2.48 116.55 118.19 3ims n ASP 99 Ca -0.16 0.51 -0.23 0.00 0.52 0.00 0.00 54.79 55.43 3ims n ASP 99 Cb 0.54 -0.52 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 3ims n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3ims n SER 100 N -1.54 3.95 0.00 1.67 3.41 -1.26 -5.09 113.62 114.76 3ims n SER 100 Ca 0.06 -3.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 3ims n SER 100 Cb 0.31 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3ims n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ims n GLY 101 N -0.37 -0.32 3.73 5.00 0.00 -1.03 -4.94 105.19 107.26 3ims n GLY 101 Ca 0.32 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 3ims n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ims n PRO 102 N -0.26 2.59 -4.30 1.61 -0.01 -1.26 -4.29 135.00 129.07 3ims n PRO 102 Ca 0.00 0.92 -0.16 0.00 -0.01 0.00 0.00 63.50 64.25 3ims n PRO 102 Cb 0.00 -2.68 -0.10 0.00 -0.01 0.00 0.00 33.50 30.71 3ims n PRO 102 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 175.50 176.52 3ims s ARG 103 N -0.58 1.23 -0.15 -0.52 1.81 -1.26 -4.61 118.95 114.87 3ims s ARG 103 Ca 0.64 -1.58 -0.05 0.00 -1.72 0.00 0.00 55.73 53.03 3ims s ARG 103 Cb -0.52 -0.66 -0.03 0.00 -0.45 0.00 0.00 34.95 33.29 3ims s ARG 103 CO 0.49 -0.01 0.00 1.03 -0.68 0.00 0.00 175.30 176.14 3ims s ARG 104 N -3.80 3.64 -0.08 3.54 0.52 -0.25 -4.87 118.95 117.64 3ims s ARG 104 Ca 0.23 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 3ims s ARG 104 Cb 0.04 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.51 3ims s ARG 104 CO 0.05 0.35 -0.21 0.71 0.02 0.00 0.00 175.30 176.22 3ims s TYR 105 N 0.10 2.58 -0.19 -0.53 1.51 0.09 -1.26 117.35 119.65 3ims s TYR 105 Ca 0.02 -0.73 -0.02 0.00 -1.01 0.00 0.00 57.07 55.33 3ims s TYR 105 Cb -0.13 -1.69 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3ims s TYR 105 CO 0.02 -0.22 -0.09 0.99 -1.11 0.00 0.00 175.55 175.14 3ims s THR 106 N 0.01 3.08 -0.35 -0.71 2.01 0.47 -1.00 115.64 119.17 3ims s THR 106 Ca -0.07 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 3ims s THR 106 Cb -0.15 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.00 3ims s THR 106 CO 0.05 0.47 0.20 -0.63 -0.69 0.00 0.00 174.62 174.02 3ims s ILE 107 N 1.14 4.79 -0.01 1.82 -1.09 -0.10 -0.83 121.20 126.92 3ims s ILE 107 Ca 0.01 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.91 3ims s ILE 107 Cb -0.14 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 3ims s ILE 107 CO -0.03 -0.08 -0.05 0.00 -1.23 0.00 0.00 174.94 173.55 3ims s ALA 108 N 1.62 3.09 0.03 9.38 0.00 -0.38 -0.95 121.76 134.55 3ims s ALA 108 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3ims s ALA 108 Cb -0.18 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.71 3ims s ALA 108 CO 0.08 0.61 -0.06 0.00 0.00 0.00 0.00 175.76 176.39 3ims s ALA 109 N -0.99 0.41 -0.13 0.00 0.00 -0.13 -1.46 121.76 119.47 3ims s ALA 109 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3ims s ALA 109 Cb -0.11 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.07 3ims s ALA 109 CO 0.07 -0.03 -0.12 -1.17 0.00 0.00 0.00 175.76 174.50 3ims s LEU 110 N -1.24 1.54 -0.07 0.00 2.96 0.51 -0.93 118.68 121.45 3ims s LEU 110 Ca -0.09 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3ims s LEU 110 Cb -0.08 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 3ims s LEU 110 CO -0.00 -0.06 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.14 3ims s LEU 111 N 1.45 3.15 0.14 -0.68 1.43 -0.10 -1.56 118.68 122.50 3ims s LEU 111 Ca 0.03 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3ims s LEU 111 Cb -0.13 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3ims s LEU 111 CO -0.08 0.36 -0.01 -0.44 0.23 0.00 0.00 176.35 176.40 3ims s SER 112 N -0.78 1.09 0.40 2.29 0.01 -0.20 -0.88 113.70 115.62 3ims s SER 112 Ca 0.12 -1.12 0.10 0.00 1.31 0.00 0.00 55.95 56.35 3ims s SER 112 Cb -0.11 0.13 0.89 0.00 0.21 0.00 0.00 66.02 67.14 3ims s SER 112 CO 0.01 -0.55 1.97 -0.65 0.41 0.00 0.00 173.24 174.43 3ims h PRO 113 N 2.80 0.56 -0.12 12.44 0.11 -1.99 -2.97 132.00 142.82 3ims h PRO 113 Ca -0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3ims h PRO 113 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ims h PRO 113 CO 0.63 0.37 0.00 0.66 -0.21 0.00 0.00 178.00 179.45 3ims n TYR 114 N -4.48 0.27 -3.59 0.65 4.02 -1.26 -1.12 117.16 111.65 3ims n TYR 114 Ca 0.10 -0.70 -0.15 0.00 -0.01 0.00 0.00 57.90 57.14 3ims n TYR 114 Cb 0.30 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3ims n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3ims s SER 115 N -1.67 -0.45 0.08 7.72 0.15 -1.12 -4.95 113.70 113.45 3ims s SER 115 Ca 0.21 0.30 -0.12 0.00 0.70 0.00 0.00 55.95 57.04 3ims s SER 115 Cb 0.16 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 3ims s SER 115 CO 0.06 -0.64 0.28 -0.72 1.20 0.00 0.00 173.24 173.42 3ims s TYR 116 N -1.93 -0.03 0.06 3.44 -0.85 -1.26 -1.03 117.35 115.75 3ims s TYR 116 Ca -0.08 -0.25 0.03 0.00 -0.52 0.00 0.00 57.07 56.26 3ims s TYR 116 Cb -0.01 0.08 -0.03 0.00 0.38 0.00 0.00 41.96 42.38 3ims s TYR 116 CO 0.02 -0.56 -0.10 -1.54 -1.52 0.00 0.00 175.55 171.85 3ims s SER 117 N -2.50 1.21 0.01 -0.18 1.04 -0.60 -4.98 113.70 107.70 3ims s SER 117 Ca 0.00 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 3ims s SER 117 Cb 0.02 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 3ims s SER 117 CO -0.08 -0.19 0.04 0.28 0.98 0.00 0.00 173.24 174.27 3ims s THR 118 N -1.61 0.10 0.10 2.02 -1.32 -1.26 -0.36 115.64 113.31 3ims s THR 118 Ca -0.04 -0.83 -0.03 0.00 -1.21 0.00 0.00 61.69 59.58 3ims s THR 118 Cb -0.08 -0.33 -0.03 0.00 -1.51 0.00 0.00 72.50 70.54 3ims s THR 118 CO 0.01 -0.46 0.07 0.28 -2.21 0.00 0.00 174.62 172.32 3ims s THR 119 N -1.45 0.14 -0.01 5.08 -1.32 -0.53 -5.00 115.64 112.55 3ims s THR 119 Ca -0.15 -1.70 0.07 0.00 -1.21 0.00 0.00 61.69 58.70 3ims s THR 119 Cb -0.09 -1.74 -0.02 0.00 -1.51 0.00 0.00 72.50 69.14 3ims s THR 119 CO -0.00 -0.66 -0.24 0.00 -2.21 0.00 0.00 174.62 171.52 3ims s ALA 120 N -3.97 2.28 -0.20 11.08 0.00 -1.26 -1.25 121.76 128.44 3ims s ALA 120 Ca 0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 3ims s ALA 120 Cb 0.07 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.57 3ims s ALA 120 CO -0.04 0.54 -0.12 0.08 0.00 0.00 0.00 175.76 176.21 3ims s VAL 121 N -0.67 2.72 -0.14 0.00 1.01 -0.01 -4.98 120.40 118.33 3ims s VAL 121 Ca 0.11 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3ims s VAL 121 Cb -0.10 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.09 3ims s VAL 121 CO 0.00 0.48 -0.20 -0.69 0.00 0.00 0.00 175.10 174.69 3ims s VAL 122 N 1.38 1.93 0.15 2.92 1.01 -1.26 -0.39 120.40 126.14 3ims s VAL 122 Ca 0.05 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.21 3ims s VAL 122 Cb -0.14 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3ims s VAL 122 CO -0.08 0.52 -0.15 0.42 0.00 0.00 0.00 175.10 175.82 3ims s THR 123 N 0.98 1.51 -0.27 3.92 -4.23 -0.39 -4.98 115.64 112.18 3ims s THR 123 Ca -0.04 -1.89 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 3ims s THR 123 Cb -0.15 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.97 3ims s THR 123 CO -0.05 -0.46 0.02 0.21 -0.54 0.00 0.00 174.62 173.81 3ims s ASN 124 N -2.73 4.79 0.00 3.99 3.84 -1.26 -1.09 114.94 122.47 3ims s ASN 124 Ca 0.14 -0.74 0.14 0.00 0.21 0.00 0.00 52.86 52.61 3ims s ASN 124 Cb -0.04 -1.79 0.84 0.00 -0.55 0.00 0.00 41.25 39.71 3ims s ASN 124 CO 0.04 -0.15 1.26 -0.81 -2.79 0.00 0.00 177.10 174.65