#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3imm s LYS 27 N 0.00 2.09 0.28 -3.83 1.02 -1.26 -4.91 119.74 113.13 3imm s LYS 27 Ca 0.00 -1.45 -0.29 0.00 0.02 0.00 0.00 55.97 54.24 3imm s LYS 27 Cb 0.00 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 3imm s LYS 27 CO 0.00 0.38 1.09 -1.58 -0.92 0.00 0.00 175.35 174.32 3imm s TRP 28 N -2.18 3.60 0.06 3.18 0.52 -1.26 -4.52 118.94 118.35 3imm s TRP 28 Ca 0.29 1.71 0.04 0.00 0.02 0.00 0.00 56.10 58.16 3imm s TRP 28 Cb -0.07 -3.27 -0.03 0.00 -1.15 0.00 0.00 33.47 28.96 3imm s TRP 28 CO 0.17 -0.49 -0.11 -1.59 0.02 0.00 0.00 176.95 174.95 3imm s LYS 29 N -1.42 0.69 0.17 4.98 -2.85 -0.16 -4.94 119.74 116.21 3imm s LYS 29 Ca 0.44 -0.89 -0.33 0.00 -1.00 0.00 0.00 55.97 54.19 3imm s LYS 29 Cb -0.32 -0.56 -0.14 0.00 -2.06 0.00 0.00 37.83 34.76 3imm s LYS 29 CO 0.41 0.11 1.60 -0.35 0.10 0.00 0.00 175.35 177.22 3imm n PRO 30 N 1.28 2.27 -0.19 1.78 -0.04 -1.26 -0.77 135.00 138.07 3imm n PRO 30 Ca -0.21 0.82 0.02 0.00 -0.04 0.00 0.00 63.50 64.08 3imm n PRO 30 Cb 0.55 -2.60 0.28 0.00 -0.04 0.00 0.00 33.50 31.69 3imm n PRO 30 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3imm h LEU 31 N 6.05 0.80 -3.15 1.53 5.85 -1.35 -2.40 115.31 122.65 3imm h LEU 31 Ca -0.45 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3imm h LEU 31 Cb 1.24 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3imm h LEU 31 CO 0.90 0.57 0.00 0.49 -0.34 0.00 0.00 178.44 180.05 3imm n PHE 32 N -4.44 0.87 -4.81 1.25 3.72 -1.26 -4.86 117.46 107.93 3imm n PHE 32 Ca 0.08 -0.74 0.00 0.00 -0.05 0.00 0.00 57.45 56.75 3imm n PHE 32 Cb 0.07 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 3imm n PHE 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3imm n GLY 33 N -0.05 0.29 3.83 1.37 0.00 -0.90 -1.21 105.19 108.52 3imm n GLY 33 Ca 0.19 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 3imm n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imm s LYS 34 N 0.00 4.10 -1.42 1.61 1.02 -1.26 -4.18 119.74 119.61 3imm s LYS 34 Ca 0.00 0.63 -0.02 0.00 0.02 0.00 0.00 55.97 56.60 3imm s LYS 34 Cb 0.00 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 34.23 3imm s LYS 34 CO 0.00 0.56 0.20 0.09 -0.92 0.00 0.00 175.35 175.28 3imm n ASN 35 N 1.29 -4.97 -1.81 2.83 3.02 -1.26 -1.55 115.26 112.80 3imm n ASN 35 Ca -0.08 -0.05 -0.20 0.00 -0.03 0.00 0.00 54.58 54.22 3imm n ASN 35 Cb 0.51 -4.13 -0.06 0.00 -0.61 0.00 0.00 39.78 35.49 3imm n ASN 35 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3imm n LEU 36 N -3.26 -1.57 0.19 3.41 4.77 -1.24 -4.86 117.00 114.43 3imm n LEU 36 Ca -0.15 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 3imm n LEU 36 Cb 0.63 -2.79 0.70 0.00 -2.33 0.00 0.00 43.42 39.62 3imm n LEU 36 CO 0.32 -0.81 1.11 1.05 -1.33 0.00 0.00 177.39 177.73 3imm h GLU 37 N 0.00 0.00 -0.57 3.23 4.11 -0.96 -1.51 114.58 118.88 3imm h GLU 37 Ca -0.43 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.91 3imm h GLU 37 Cb 1.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 3imm h GLU 37 CO 0.59 0.00 0.11 0.09 0.07 0.00 0.00 179.01 179.86 3imm n ASN 38 N -4.35 4.89 -4.47 3.06 3.02 -0.35 -4.97 115.26 112.09 3imm n ASN 38 Ca 0.01 -3.11 -0.27 0.00 -0.03 0.00 0.00 54.58 51.18 3imm n ASN 38 Cb 0.26 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.64 3imm n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3imm s ALA 39 N -2.90 2.67 -0.35 5.41 0.00 -0.57 -2.13 121.76 123.88 3imm s ALA 39 Ca 0.52 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 3imm s ALA 39 Cb 0.41 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.12 3imm s ALA 39 CO 0.13 0.42 0.18 1.21 0.00 0.00 0.00 175.76 177.70 3imm s ASN 40 N -2.80 5.61 0.10 0.00 2.47 0.14 -4.84 114.94 115.61 3imm s ASN 40 Ca 0.23 -0.93 -0.25 0.00 0.42 0.00 0.00 52.86 52.32 3imm s ASN 40 Cb -0.08 -1.99 0.08 0.00 -1.45 0.00 0.00 41.25 37.81 3imm s ASN 40 CO 0.12 -0.34 0.79 -0.72 -3.72 0.00 0.00 177.10 173.24 3imm s TYR 41 N 1.54 -0.35 -0.26 0.43 1.13 -1.26 -1.33 117.35 117.24 3imm s TYR 41 Ca 0.02 0.13 -0.19 0.00 -1.41 0.00 0.00 57.07 55.61 3imm s TYR 41 Cb -0.19 0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 3imm s TYR 41 CO 0.06 -0.76 0.59 1.21 -2.51 0.00 0.00 175.55 174.14 3imm s ASN 42 N -2.69 6.52 0.00 -0.18 3.84 -1.26 -4.97 114.94 116.20 3imm s ASN 42 Ca 0.06 0.61 0.11 0.00 0.21 0.00 0.00 52.86 53.85 3imm s ASN 42 Cb -0.02 -2.32 0.49 0.00 -0.55 0.00 0.00 41.25 38.86 3imm s ASN 42 CO -0.07 -0.36 1.36 -2.65 -2.79 0.00 0.00 177.10 172.60 3imm n PRO 43 N 5.68 0.01 0.00 0.43 -0.02 -1.26 -0.61 135.00 139.23 3imm n PRO 43 Ca -0.02 0.30 0.14 0.00 -2.02 0.00 0.00 63.50 61.90 3imm n PRO 43 Cb 0.49 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 33.05 3imm n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3imm n GLU 44 N -1.49 0.20 -0.10 -0.52 -0.58 -1.26 -4.17 120.64 112.72 3imm n GLU 44 Ca 0.03 -0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.51 3imm n GLU 44 Cb 0.13 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.43 3imm n GLU 44 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3imm n VAL 45 N -1.36 1.22 -4.72 2.62 0.31 0.22 -4.73 118.33 111.89 3imm n VAL 45 Ca 0.09 -0.24 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 3imm n VAL 45 Cb 0.31 -1.84 -0.13 0.00 -0.91 0.00 0.00 33.84 31.27 3imm n VAL 45 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 3imm s TRP 46 N -2.43 2.84 -0.00 3.52 0.52 -0.57 -1.22 118.94 121.60 3imm s TRP 46 Ca -0.29 -0.37 -0.24 0.00 0.02 0.00 0.00 56.10 55.22 3imm s TRP 46 Cb 0.11 -1.79 0.05 0.00 -1.15 0.00 0.00 33.47 30.69 3imm s TRP 46 CO 0.38 -0.00 0.53 -1.54 0.02 0.00 0.00 176.95 176.34 3imm s SER 47 N -0.08 -0.47 -0.18 2.95 1.04 -0.72 -4.47 113.70 111.77 3imm s SER 47 Ca -0.01 0.36 -0.16 0.00 0.48 0.00 0.00 55.95 56.62 3imm s SER 47 Cb -0.14 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3imm s SER 47 CO 0.03 -0.62 0.38 -1.61 0.98 0.00 0.00 173.24 172.40 3imm s GLU 48 N -1.74 4.23 -0.17 4.02 2.02 -1.26 -1.57 118.70 124.22 3imm s GLU 48 Ca -0.09 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.11 3imm s GLU 48 Cb -0.01 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.76 3imm s GLU 48 CO 0.04 0.08 -0.14 0.99 0.02 0.00 0.00 175.26 176.25 3imm s THR 49 N 0.95 1.68 -1.45 3.63 2.01 0.30 -4.73 115.64 118.03 3imm s THR 49 Ca 0.19 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 3imm s THR 49 Cb -0.14 -1.63 0.06 0.00 0.01 0.00 0.00 72.50 70.79 3imm s THR 49 CO 0.07 0.36 0.74 0.47 -0.69 0.00 0.00 174.62 175.58 3imm n ASP 50 N 4.71 -4.95 0.00 3.53 8.00 -1.26 -1.19 116.55 125.39 3imm n ASP 50 Ca -0.17 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.83 3imm n ASP 50 Cb 0.49 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 3imm n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3imm n GLY 51 N -1.51 0.63 3.10 0.44 0.00 -1.26 -5.03 105.19 101.56 3imm n GLY 51 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3imm n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3imm s VAL 52 N -2.29 1.78 0.02 1.61 1.01 -0.33 -4.60 120.40 117.59 3imm s VAL 52 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 3imm s VAL 52 Cb 0.00 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3imm s VAL 52 CO 0.00 0.49 0.70 -0.22 0.00 0.00 0.00 175.10 176.08 3imm s LEU 53 N 1.05 4.43 0.28 3.92 2.96 0.18 -0.54 118.68 130.96 3imm s LEU 53 Ca -0.03 1.34 -0.13 0.00 -0.22 0.00 0.00 54.13 55.08 3imm s LEU 53 Cb -0.15 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.44 3imm s LEU 53 CO -0.05 0.04 0.56 -0.83 -1.32 0.00 0.00 176.35 174.75 3imm s GLY 54 N -0.08 0.55 0.02 7.98 0.00 -0.61 -0.94 107.32 114.23 3imm s GLY 54 Ca 0.36 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 44.27 3imm s GLY 54 CO 0.21 -0.55 -0.16 0.00 0.00 0.00 0.00 173.10 172.60 3imm s ALA 55 N -3.65 1.30 -0.92 3.20 0.00 -1.26 -1.76 121.76 118.66 3imm s ALA 55 Ca 0.21 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.49 3imm s ALA 55 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3imm s ALA 55 CO 0.11 0.29 0.63 1.33 0.00 0.00 0.00 175.76 178.11 3imm n VAL 56 N 2.23 0.00 -4.34 0.00 0.24 -0.36 -4.57 118.33 111.53 3imm n VAL 56 Ca -0.16 -0.36 -0.21 0.00 -2.04 0.00 0.00 64.34 61.57 3imm n VAL 56 Cb 0.55 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.95 3imm n VAL 56 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3imm n LYS 57 N -0.41 0.45 0.18 7.34 5.02 -1.26 -4.88 118.16 124.60 3imm n LYS 57 Ca 0.04 -3.31 0.10 0.00 -2.02 0.00 0.00 58.31 53.12 3imm n LYS 57 Cb 0.22 2.43 0.10 0.00 -0.02 0.00 0.00 35.03 37.76 3imm n LYS 57 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3imm h ASP 58 N 1.88 0.00 -4.08 4.39 2.03 -1.81 0.11 116.42 118.94 3imm h ASP 58 Ca -0.26 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.52 3imm h ASP 58 Cb 1.18 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.79 3imm h ASP 58 CO 0.38 0.09 0.49 -0.70 -1.03 0.00 0.00 179.24 178.47 3imm s GLU 59 N -3.20 3.07 0.76 4.15 2.12 -1.26 -4.33 118.70 120.01 3imm s GLU 59 Ca 0.05 1.88 -0.11 0.00 0.36 0.00 0.00 54.97 57.14 3imm s GLU 59 Cb 0.06 -2.02 0.05 0.00 0.26 0.00 0.00 34.13 32.48 3imm s GLU 59 CO 0.71 -1.14 1.14 -1.12 -0.54 0.00 0.00 175.26 174.31 3imm s SER 60 N -1.48 4.91 -0.05 -1.70 0.01 -1.12 -4.36 113.70 109.90 3imm s SER 60 Ca 0.75 0.90 0.06 0.00 1.31 0.00 0.00 55.95 58.98 3imm s SER 60 Cb -0.32 -1.53 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 3imm s SER 60 CO 0.35 -1.66 -0.24 -0.51 0.41 0.00 0.00 173.24 171.60 3imm s ILE 61 N -3.47 1.94 0.13 1.44 2.07 -0.57 -4.73 121.20 118.01 3imm s ILE 61 Ca 0.60 -1.01 0.07 0.00 -1.41 0.00 0.00 60.65 58.91 3imm s ILE 61 Cb -0.11 -1.64 -0.04 0.00 0.13 0.00 0.00 42.46 40.80 3imm s ILE 61 CO 0.50 0.54 -0.16 0.26 -1.91 0.00 0.00 174.94 174.17 3imm s TRP 62 N -0.16 1.58 0.61 3.50 0.52 -0.44 -1.67 118.94 122.88 3imm s TRP 62 Ca -0.03 -0.50 -0.18 0.00 0.02 0.00 0.00 56.10 55.41 3imm s TRP 62 Cb -0.13 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.34 3imm s TRP 62 CO 0.03 0.21 1.17 0.95 0.02 0.00 0.00 176.95 179.34 3imm s THR 63 N -1.94 2.80 -0.43 2.01 -4.23 0.45 0.23 115.64 114.53 3imm s THR 63 Ca 0.10 0.46 0.23 0.00 -1.18 0.00 0.00 61.69 61.31 3imm s THR 63 Cb -0.06 -3.12 0.30 0.00 1.34 0.00 0.00 72.50 70.96 3imm s THR 63 CO 0.04 -0.14 1.55 0.11 -0.54 0.00 0.00 174.62 175.64 3imm h LYS 64 N 0.66 0.00 -6.24 3.99 1.57 -1.75 -3.42 116.57 111.37 3imm h LYS 64 Ca -0.49 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.70 3imm h LYS 64 Cb 1.28 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 3imm h LYS 64 CO 0.55 0.00 -0.71 -0.51 -0.57 0.00 0.00 179.45 178.21 3imm s ASP 65 N -6.02 4.09 0.13 0.86 1.01 -1.26 -5.07 116.67 110.41 3imm s ASP 65 Ca 0.06 -0.80 -0.06 0.00 0.71 0.00 0.00 52.55 52.46 3imm s ASP 65 Cb 0.06 -0.59 -0.06 0.00 1.01 0.00 0.00 42.92 43.34 3imm s ASP 65 CO 0.68 0.03 0.39 -1.61 0.21 0.00 0.00 175.17 174.87 3imm s GLU 66 N -3.49 3.66 0.02 8.23 2.02 -1.26 -4.51 118.70 123.36 3imm s GLU 66 Ca 0.30 0.00 0.04 0.00 0.02 0.00 0.00 54.97 55.32 3imm s GLU 66 Cb -0.06 -2.88 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 3imm s GLU 66 CO 0.17 0.49 -0.11 0.71 0.02 0.00 0.00 175.26 176.54 3imm s TYR 67 N -1.59 0.96 0.06 1.61 2.02 -0.41 -4.90 117.35 115.11 3imm s TYR 67 Ca 0.39 -0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 56.76 3imm s TYR 67 Cb -0.13 -0.59 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 3imm s TYR 67 CO 0.22 -0.00 0.09 -1.83 -1.57 0.00 0.00 175.55 172.45 3imm s GLU 68 N -0.75 0.70 -1.08 -0.62 -1.05 -1.26 -2.41 118.70 112.23 3imm s GLU 68 Ca 0.01 -1.02 -0.11 0.00 -0.15 0.00 0.00 54.97 53.69 3imm s GLU 68 Cb -0.06 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.85 3imm s GLU 68 CO 0.00 -0.18 0.88 0.09 0.95 0.00 0.00 175.26 177.00 3imm n ASN 69 N 0.16 -6.19 -4.11 0.83 3.02 -0.95 -4.88 115.26 103.14 3imm n ASN 69 Ca -0.15 -0.82 -0.09 0.00 -0.03 0.00 0.00 54.58 53.49 3imm n ASN 69 Cb 0.61 -4.56 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 3imm n ASN 69 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3imm s PHE 70 N -3.42 0.71 -0.08 3.10 -0.12 -0.84 -1.08 117.98 116.25 3imm s PHE 70 Ca 0.47 -1.14 0.04 0.00 -0.05 0.00 0.00 56.93 56.25 3imm s PHE 70 Cb -0.10 -0.42 -0.00 0.00 -0.63 0.00 0.00 43.02 41.86 3imm s PHE 70 CO 0.78 -0.48 -0.22 -1.83 -0.05 0.00 0.00 175.22 173.43 3imm s GLU 71 N -3.99 2.60 -0.16 1.99 -1.05 -0.22 -0.25 118.70 117.62 3imm s GLU 71 Ca 0.17 -0.80 -0.03 0.00 -0.15 0.00 0.00 54.97 54.17 3imm s GLU 71 Cb 0.07 -2.06 -0.02 0.00 -0.44 0.00 0.00 34.13 31.68 3imm s GLU 71 CO -0.03 0.22 -0.07 -1.17 0.95 0.00 0.00 175.26 175.16 3imm s LEU 72 N 0.22 3.00 -0.01 1.83 2.96 0.39 -1.61 118.68 125.46 3imm s LEU 72 Ca -0.13 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 3imm s LEU 72 Cb -0.16 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 3imm s LEU 72 CO 0.06 0.12 -0.11 -1.81 -1.32 0.00 0.00 176.35 173.29 3imm s ASP 73 N 0.64 4.29 -0.05 3.68 1.11 -0.06 0.03 116.67 126.31 3imm s ASP 73 Ca -0.04 -0.21 -0.29 0.00 0.18 0.00 0.00 52.55 52.19 3imm s ASP 73 Cb -0.15 -0.92 0.07 0.00 1.07 0.00 0.00 42.92 42.98 3imm s ASP 73 CO 0.03 0.30 0.64 -1.48 1.18 0.00 0.00 175.17 175.84 3imm s LEU 74 N -1.20 -0.51 0.04 1.23 2.34 -1.26 -0.96 118.68 118.37 3imm s LEU 74 Ca 0.15 0.67 -0.03 0.00 0.06 0.00 0.00 54.13 54.98 3imm s LEU 74 Cb -0.11 2.41 -0.04 0.00 -0.56 0.00 0.00 46.19 47.89 3imm s LEU 74 CO 0.05 -0.58 0.25 -1.81 -1.06 0.00 0.00 176.35 173.19 3imm s ASP 75 N -1.17 6.43 0.03 1.48 1.01 0.06 -4.44 116.67 120.06 3imm s ASP 75 Ca -0.11 0.43 -0.07 0.00 0.71 0.00 0.00 52.55 53.51 3imm s ASP 75 Cb -0.01 -2.03 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 3imm s ASP 75 CO 0.09 0.20 0.14 0.72 0.21 0.00 0.00 175.17 176.53 3imm s PHE 76 N -1.42 0.10 -0.05 4.23 -0.12 -0.55 -1.97 117.98 118.20 3imm s PHE 76 Ca 0.32 -0.31 0.05 0.00 -0.05 0.00 0.00 56.93 56.93 3imm s PHE 76 Cb -0.13 -0.08 -0.00 0.00 -0.63 0.00 0.00 43.02 42.18 3imm s PHE 76 CO 0.21 -0.36 -0.19 0.21 -0.05 0.00 0.00 175.22 175.05 3imm s LYS 77 N -2.17 2.00 0.33 1.99 2.20 -0.40 0.46 119.74 124.15 3imm s LYS 77 Ca -0.08 -0.67 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 3imm s LYS 77 Cb -0.03 -1.71 -0.02 0.00 -1.51 0.00 0.00 37.83 34.56 3imm s LYS 77 CO -0.02 0.25 0.49 0.95 -0.36 0.00 0.00 175.35 176.66 3imm s THR 78 N 0.05 4.68 0.42 3.43 -4.23 -1.26 -2.34 115.64 116.39 3imm s THR 78 Ca -0.05 -0.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.75 3imm s THR 78 Cb -0.13 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 3imm s THR 78 CO 0.03 -0.33 0.45 -0.62 -0.54 0.00 0.00 174.62 173.60 3imm s ASP 79 N -4.09 5.26 0.06 3.99 -1.08 -1.16 -0.29 116.67 119.36 3imm s ASP 79 Ca 0.41 -0.63 -0.30 0.00 -0.52 0.00 0.00 52.55 51.50 3imm s ASP 79 Cb -0.09 -0.60 -0.09 0.00 -1.46 0.00 0.00 42.92 40.67 3imm s ASP 79 CO 0.33 -0.69 1.85 -0.69 0.52 0.00 0.00 175.17 176.48 3imm s VAL 80 N -2.43 2.92 0.00 1.11 1.01 -1.26 -2.04 120.40 119.72 3imm s VAL 80 Ca 0.51 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3imm s VAL 80 Cb -0.06 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3imm s VAL 80 CO 0.30 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 3imm n GLY 81 N 4.32 0.57 3.57 4.51 0.00 -1.26 -4.69 105.19 112.22 3imm n GLY 81 Ca 0.18 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.69 3imm n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3imm n THR 82 N -2.86 0.33 -3.60 2.61 -1.04 -0.86 -4.78 114.28 104.07 3imm n THR 82 Ca 0.00 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.05 61.66 3imm n THR 82 Cb 0.00 -0.74 -0.17 0.00 -1.82 0.00 0.00 70.33 67.61 3imm n THR 82 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3imm s ASN 83 N 0.25 2.65 0.00 8.00 3.84 -1.26 -1.13 114.94 127.29 3imm s ASN 83 Ca 0.81 -0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.10 3imm s ASN 83 Cb -0.95 -0.28 0.00 0.00 -0.55 0.00 0.00 41.25 39.47 3imm s ASN 83 CO 0.50 -0.37 0.00 -0.24 -2.79 0.00 0.00 177.10 174.20 3imm n SER 84 N 5.26 0.00 0.00 -4.21 2.88 0.12 -4.97 113.62 112.71 3imm n SER 84 Ca -0.07 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 3imm n SER 84 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 3imm n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3imm n GLY 85 N 0.00 1.01 3.72 0.46 0.00 -1.26 -1.31 105.19 107.81 3imm n GLY 85 Ca 0.00 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 3imm n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3imm s VAL 86 N -2.00 5.21 -0.16 1.61 1.01 -0.16 -3.44 120.40 122.47 3imm s VAL 86 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 3imm s VAL 86 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3imm s VAL 86 CO 0.00 0.47 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 3imm s VAL 87 N 0.16 4.33 0.26 2.92 1.01 0.16 -0.62 120.40 128.62 3imm s VAL 87 Ca 0.08 -0.20 0.06 0.00 0.00 0.00 0.00 61.98 61.92 3imm s VAL 87 Cb -0.12 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 3imm s VAL 87 CO -0.01 0.48 -0.06 0.68 0.00 0.00 0.00 175.10 176.19 3imm s VAL 88 N 0.30 1.55 -1.48 2.92 -7.23 0.14 -1.38 120.40 115.22 3imm s VAL 88 Ca -0.00 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 57.98 3imm s VAL 88 Cb -0.13 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.48 3imm s VAL 88 CO 0.02 -0.36 0.79 -1.22 -0.31 0.00 0.00 175.10 174.01 3imm n TYR 89 N -0.51 -2.24 -2.90 2.82 4.01 -1.15 -1.51 117.16 115.68 3imm n TYR 89 Ca -0.06 0.68 -0.42 0.00 -0.16 0.00 0.00 57.90 57.95 3imm n TYR 89 Cb 0.63 -4.48 -0.04 0.00 -0.31 0.00 0.00 39.34 35.14 3imm n TYR 89 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3imm n THR 91 N 5.25 0.00 -3.23 0.00 -2.24 -0.97 -0.15 114.28 112.95 3imm n THR 91 Ca 0.05 -0.50 -0.02 0.00 -2.27 0.00 0.00 64.05 61.32 3imm n THR 91 Cb 0.48 1.45 -0.04 0.00 -2.10 0.00 0.00 70.33 70.13 3imm n THR 91 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3imm s ASP 92 N -1.83 -0.72 0.31 3.42 -1.08 -1.26 -5.03 116.67 110.48 3imm s ASP 92 Ca 0.26 0.41 0.26 0.00 -0.52 0.00 0.00 52.55 52.95 3imm s ASP 92 Cb 0.18 1.70 0.85 0.00 -1.46 0.00 0.00 42.92 44.19 3imm s ASP 92 CO 0.28 -0.29 1.76 0.71 0.52 0.00 0.00 175.17 178.14 3imm h THR 93 N 6.07 0.00 0.00 1.71 1.35 -1.95 -2.37 112.91 117.72 3imm h THR 93 Ca -0.17 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3imm h THR 93 Cb 1.16 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.01 3imm h THR 93 CO 0.25 0.00 -0.03 0.11 -0.25 0.00 0.00 175.52 175.60 3imm h LYS 94 N 0.00 0.00 -2.48 4.72 6.56 -2.01 -3.38 116.57 119.98 3imm h LYS 94 Ca 0.00 0.00 -0.81 0.00 -1.06 0.00 0.00 60.65 58.78 3imm h LYS 94 Cb 0.65 0.00 -0.26 0.00 -0.57 0.00 0.00 32.23 32.05 3imm h LYS 94 CO 0.00 0.37 1.04 -3.47 -2.06 0.00 0.00 179.45 175.33 3imm n ASP 95 N -4.71 7.09 0.06 0.86 2.03 -1.23 -4.81 116.55 115.85 3imm n ASP 95 Ca -0.04 -3.58 -0.05 0.00 0.52 0.00 0.00 54.79 51.64 3imm n ASP 95 Cb 0.18 -1.21 -0.09 0.00 -0.72 0.00 0.00 41.12 39.28 3imm n ASP 95 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3imm h TRP 96 N 4.61 0.00 0.01 -0.67 5.08 -1.61 -3.34 115.95 120.03 3imm h TRP 96 Ca 0.45 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.42 3imm h TRP 96 Cb 0.41 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.56 3imm h TRP 96 CO 1.26 0.88 -0.04 0.82 -1.28 0.00 0.00 178.44 180.08 3imm h ILE 97 N 0.00 0.90 -0.00 0.12 2.04 -1.87 -1.06 117.51 117.64 3imm h ILE 97 Ca -0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3imm h ILE 97 Cb 1.72 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3imm h ILE 97 CO 0.10 0.00 -0.09 -0.81 0.00 0.00 0.00 178.15 177.36 3imm n PRO 98 N -5.14 0.36 -2.38 2.37 -0.04 -1.26 -4.22 135.00 124.69 3imm n PRO 98 Ca -0.07 -0.08 -0.29 0.00 -0.04 0.00 0.00 63.50 63.03 3imm n PRO 98 Cb 0.08 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.05 3imm n PRO 98 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3imm n ASN 99 N -1.25 5.15 -3.69 3.54 3.02 -0.41 -4.65 115.26 116.97 3imm n ASN 99 Ca 0.12 -3.74 -0.02 0.00 -0.03 0.00 0.00 54.58 50.90 3imm n ASN 99 Cb 0.29 -0.55 -0.01 0.00 -0.61 0.00 0.00 39.78 38.90 3imm n ASN 99 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3imm s SER 100 N -3.17 -0.13 -0.07 6.41 1.04 -1.17 -2.28 113.70 114.33 3imm s SER 100 Ca 0.49 -0.38 0.03 0.00 0.48 0.00 0.00 55.95 56.58 3imm s SER 100 Cb 0.41 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 3imm s SER 100 CO -0.22 -0.78 -0.17 -0.69 0.98 0.00 0.00 173.24 172.36 3imm s VAL 101 N -2.99 2.76 -0.16 5.02 1.01 -0.57 -5.00 120.40 120.47 3imm s VAL 101 Ca 0.14 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3imm s VAL 101 Cb -0.00 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3imm s VAL 101 CO 0.01 0.57 -0.18 -0.70 0.00 0.00 0.00 175.10 174.80 3imm s GLU 102 N -0.30 3.09 -0.39 2.72 2.12 -1.26 -0.68 118.70 124.00 3imm s GLU 102 Ca 0.02 -0.80 -0.21 0.00 0.36 0.00 0.00 54.97 54.33 3imm s GLU 102 Cb -0.13 -2.57 0.01 0.00 0.26 0.00 0.00 34.13 31.71 3imm s GLU 102 CO 0.03 -0.07 0.69 0.42 -0.54 0.00 0.00 175.26 175.79 3imm s ILE 103 N 0.99 4.81 0.30 -3.70 1.09 0.21 -0.24 121.20 124.65 3imm s ILE 103 Ca -0.02 0.53 -0.29 0.00 -1.10 0.00 0.00 60.65 59.76 3imm s ILE 103 Cb -0.15 -4.17 -0.10 0.00 -1.06 0.00 0.00 42.46 36.98 3imm s ILE 103 CO -0.04 -0.45 1.43 -1.58 -0.10 0.00 0.00 174.94 174.19 3imm s GLN 104 N 2.90 4.24 -0.12 2.79 2.00 0.11 -0.99 119.66 130.59 3imm s GLN 104 Ca 0.26 2.37 0.02 0.00 -2.00 0.00 0.00 55.36 56.01 3imm s GLN 104 Cb -0.14 -3.06 0.01 0.00 0.80 0.00 0.00 33.01 30.62 3imm s GLN 104 CO 0.17 -0.41 -0.19 0.42 -0.50 0.00 0.00 175.29 174.78 3imm s ILE 105 N -0.51 1.80 -0.04 -2.34 1.01 -0.42 -0.35 121.20 120.34 3imm s ILE 105 Ca 0.56 -0.83 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 3imm s ILE 105 Cb -0.43 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.47 3imm s ILE 105 CO 0.50 0.50 0.46 0.00 0.00 0.00 0.00 174.94 176.40 3imm s ALA 106 N 0.87 -1.18 -1.00 9.38 0.00 -1.26 0.16 121.76 128.72 3imm s ALA 106 Ca -0.07 0.79 -0.23 0.00 0.00 0.00 0.00 51.96 52.44 3imm s ALA 106 Cb -0.15 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3imm s ALA 106 CO -0.01 -0.30 1.63 0.34 0.00 0.00 0.00 175.76 177.42 3imm s ASP 107 N -1.12 6.07 0.21 0.00 2.15 -0.28 -4.37 116.67 119.33 3imm s ASP 107 Ca -0.11 -1.27 0.16 0.00 0.43 0.00 0.00 52.55 51.76 3imm s ASP 107 Cb -0.03 -2.57 0.82 0.00 -0.30 0.00 0.00 42.92 40.85 3imm s ASP 107 CO 0.06 -1.91 1.50 0.47 -0.17 0.00 0.00 175.17 175.12 3imm n ASP 108 N 10.54 0.41 -0.19 -0.34 9.92 -1.26 -2.20 116.55 133.43 3imm n ASP 108 Ca 0.36 0.67 0.13 0.00 -0.53 0.00 0.00 54.79 55.42 3imm n ASP 108 Cb 0.49 -0.73 0.45 0.00 -0.64 0.00 0.00 41.12 40.69 3imm n ASP 108 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3imm n HIS 109 N -2.02 0.00 -3.61 1.24 8.25 -1.26 -4.68 115.22 113.13 3imm n HIS 109 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3imm n HIS 109 Cb 0.07 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 30.93 3imm n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3imm n GLU 111 N 4.50 3.22 0.07 0.00 -0.58 -1.26 -4.89 120.64 121.70 3imm n GLU 111 Ca -0.14 -4.58 -0.19 0.00 -0.42 0.00 0.00 57.16 51.83 3imm n GLU 111 Cb 0.52 -2.39 -0.14 0.00 -0.57 0.00 0.00 31.44 28.85 3imm n GLU 111 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3imm h LYS 112 N 5.15 0.31 -0.86 3.49 1.57 -1.96 -3.35 116.57 120.92 3imm h LYS 112 Ca 0.19 -0.53 -0.55 0.00 -1.87 0.00 0.00 60.65 57.89 3imm h LYS 112 Cb 0.69 0.20 -0.29 0.00 0.08 0.00 0.00 32.23 32.91 3imm h LYS 112 CO 1.01 1.19 0.41 0.91 -0.57 0.00 0.00 179.45 182.40 3imm n TRP 113 N -3.50 2.81 -4.64 -1.35 7.02 -1.26 -5.03 117.44 111.48 3imm n TRP 113 Ca -0.19 -2.43 0.00 0.00 -1.02 0.00 0.00 57.50 53.86 3imm n TRP 113 Cb 1.06 -1.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 3imm n TRP 113 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3imm n GLY 114 N -0.97 1.04 0.37 6.99 0.00 -1.26 -3.49 105.19 107.87 3imm n GLY 114 Ca 0.55 -0.71 0.19 0.00 0.00 0.00 0.00 46.02 46.05 3imm n GLY 114 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3imm h ASN 115 N 8.98 0.00 -3.84 1.61 2.35 -1.96 -3.45 115.58 119.28 3imm h ASN 115 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.85 3imm h ASN 115 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3imm h ASN 115 CO 0.00 0.00 -0.20 0.61 -1.65 0.00 0.00 177.43 176.19 3imm n GLY 116 N -1.54 -1.83 3.81 2.83 0.00 -1.23 -4.91 105.19 102.31 3imm n GLY 116 Ca 0.07 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3imm n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imm s LYS 117 N -1.91 3.17 0.42 1.61 3.01 -1.26 -5.01 119.74 119.77 3imm s LYS 117 Ca 0.00 -0.41 0.17 0.00 -1.01 0.00 0.00 55.97 54.71 3imm s LYS 117 Cb 0.00 -2.93 1.07 0.00 -1.01 0.00 0.00 37.83 34.96 3imm s LYS 117 CO 0.00 0.67 1.88 -1.35 0.51 0.00 0.00 175.35 177.06 3imm h PRO 118 N 4.21 0.40 0.00 -1.68 0.11 -1.97 -1.49 132.00 131.58 3imm h PRO 118 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3imm h PRO 118 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3imm h PRO 118 CO 0.62 0.27 0.00 2.48 -0.21 0.00 0.00 178.00 181.16 3imm n TYR 119 N -4.50 0.00 1.09 0.65 0.18 -1.26 -2.51 117.16 110.80 3imm n TYR 119 Ca 0.18 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.07 3imm n TYR 119 Cb 0.64 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.73 3imm n TYR 119 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3imm n GLU 120 N -0.99 1.35 -2.05 -3.48 1.02 -0.56 -3.56 120.64 112.37 3imm n GLU 120 Ca 0.21 -1.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.01 3imm n GLU 120 Cb 0.10 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.05 3imm n GLU 120 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3imm s LYS 121 N -2.37 3.46 0.12 3.49 -0.14 -1.04 -4.76 119.74 118.49 3imm s LYS 121 Ca 0.23 0.57 -0.31 0.00 -1.36 0.00 0.00 55.97 55.09 3imm s LYS 121 Cb 0.19 -2.14 -0.09 0.00 -1.68 0.00 0.00 37.83 34.11 3imm s LYS 121 CO 0.50 -0.56 1.53 0.00 -0.76 0.00 0.00 175.35 176.06 3imm n GLY 123 N 3.74 0.84 3.74 0.00 0.00 0.53 -4.83 105.19 109.22 3imm n GLY 123 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3imm n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3imm s ALA 124 N -3.31 1.90 -0.50 4.61 0.00 -0.59 -4.61 121.76 119.27 3imm s ALA 124 Ca 0.00 0.08 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 3imm s ALA 124 Cb 0.00 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.94 3imm s ALA 124 CO 0.00 -2.06 0.74 0.42 0.00 0.00 0.00 175.76 174.86 3imm s ILE 125 N -2.93 4.70 0.21 0.00 -1.09 -0.22 0.07 121.20 121.93 3imm s ILE 125 Ca 0.62 -0.07 -0.32 0.00 -2.23 0.00 0.00 60.65 58.65 3imm s ILE 125 Cb -0.17 -4.36 -0.13 0.00 -1.58 0.00 0.00 42.46 36.22 3imm s ILE 125 CO 0.56 -0.85 1.54 0.00 -1.23 0.00 0.00 174.94 174.96 3imm n TYR 126 N 6.63 2.37 -0.80 3.97 9.36 0.67 -0.87 117.16 138.48 3imm n TYR 126 Ca -0.02 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.50 3imm n TYR 126 Cb 0.47 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 3imm n TYR 126 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3imm n GLY 127 N 2.85 0.74 0.11 2.98 0.00 -1.23 -4.75 105.19 105.89 3imm n GLY 127 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3imm n GLY 127 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3imm n HIS 128 N -2.00 0.00 -3.66 1.61 8.25 -0.05 -4.49 115.22 114.88 3imm n HIS 128 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3imm n HIS 128 Cb 0.00 0.02 -0.08 0.00 1.12 0.00 0.00 29.99 31.05 3imm n HIS 128 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3imm s LEU 129 N -3.84 -0.68 0.77 2.41 2.96 -0.31 -4.70 118.68 115.28 3imm s LEU 129 Ca 0.00 1.26 -0.11 0.00 -0.22 0.00 0.00 54.13 55.06 3imm s LEU 129 Cb 0.00 1.90 0.05 0.00 0.50 0.00 0.00 46.19 48.64 3imm s LEU 129 CO 0.00 -0.22 1.08 -0.83 -1.32 0.00 0.00 176.35 175.06 3imm s GLY 130 N 1.95 1.65 0.53 7.98 0.00 -1.26 -1.06 107.32 117.10 3imm s GLY 130 Ca -0.08 -0.00 -0.14 0.00 0.00 0.00 0.00 44.72 44.50 3imm s GLY 130 CO -0.16 0.38 0.96 0.00 0.00 0.00 0.00 173.10 174.27 3imm s ALA 131 N -3.04 3.12 0.17 3.20 0.00 -1.24 -4.79 121.76 119.18 3imm s ALA 131 Ca 0.60 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.66 3imm s ALA 131 Cb -0.15 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3imm s ALA 131 CO 0.55 -0.33 1.39 -0.39 0.00 0.00 0.00 175.76 176.99 3imm h VAL 132 N 0.60 1.56 -3.90 0.00 -1.51 -1.38 -3.44 116.25 108.18 3imm h VAL 132 Ca -0.46 -2.79 -0.39 0.00 -1.23 0.00 0.00 66.70 61.83 3imm h VAL 132 Cb 1.19 2.53 -0.21 0.00 -2.13 0.00 0.00 31.29 32.67 3imm h VAL 132 CO 0.62 0.80 -0.77 -1.10 -1.23 0.00 0.00 177.57 175.89 3imm s GLN 133 N -3.12 0.80 0.52 5.19 -0.21 -1.26 -5.16 119.66 116.42 3imm s GLN 133 Ca -0.01 -0.97 0.06 0.00 0.02 0.00 0.00 55.36 54.45 3imm s GLN 133 Cb 0.11 -0.75 0.02 0.00 1.00 0.00 0.00 33.01 33.39 3imm s GLN 133 CO 0.81 0.16 0.36 0.16 -2.12 0.00 0.00 175.29 174.66 3imm s ASP 134 N -1.84 4.62 -1.29 5.90 -4.77 -1.26 -4.57 116.67 113.46 3imm s ASP 134 Ca -0.01 -1.20 -0.03 0.00 -3.30 0.00 0.00 52.55 48.00 3imm s ASP 134 Cb -0.09 0.24 0.02 0.00 -1.09 0.00 0.00 42.92 41.99 3imm s ASP 134 CO 0.02 -0.99 0.22 0.29 0.70 0.00 0.00 175.17 175.40 3imm n LYS 135 N -1.67 -2.87 0.11 2.11 5.02 -1.26 -4.85 118.16 114.75 3imm n LYS 135 Ca -0.02 0.68 -0.04 0.00 -2.02 0.00 0.00 58.31 56.91 3imm n LYS 135 Cb 0.64 -5.36 0.07 0.00 -0.02 0.00 0.00 35.03 30.37 3imm n LYS 135 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3imm h VAL 136 N -0.46 1.51 -3.98 -0.18 2.07 -1.94 -3.45 116.25 109.84 3imm h VAL 136 Ca -0.39 -2.49 -0.53 0.00 0.82 0.00 0.00 66.70 64.12 3imm h VAL 136 Cb 1.28 2.34 0.09 0.00 -1.52 0.00 0.00 31.29 33.48 3imm h VAL 136 CO 0.46 0.71 0.60 0.54 0.02 0.00 0.00 177.57 179.90 3imm s VAL 137 N -3.36 2.58 0.91 2.57 0.11 -1.26 -4.84 120.40 117.11 3imm s VAL 137 Ca -0.01 0.49 -0.14 0.00 -2.93 0.00 0.00 61.98 59.39 3imm s VAL 137 Cb 0.12 -3.28 0.15 0.00 -1.53 0.00 0.00 36.38 31.84 3imm s VAL 137 CO 0.79 0.05 1.23 -0.54 -3.33 0.00 0.00 175.10 173.30 3imm s LYS 138 N -2.44 1.12 0.67 1.54 1.02 -1.26 -4.94 119.74 115.45 3imm s LYS 138 Ca 0.61 -0.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.38 3imm s LYS 138 Cb -0.37 -1.87 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 3imm s LYS 138 CO 0.47 -2.14 1.06 0.15 -0.92 0.00 0.00 175.35 173.97 3imm s LYS 139 N -5.66 3.05 0.19 1.68 1.02 -1.26 -4.89 119.74 113.87 3imm s LYS 139 Ca 0.68 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 57.39 3imm s LYS 139 Cb -0.08 -2.00 -0.16 0.00 -0.52 0.00 0.00 37.83 35.06 3imm s LYS 139 CO 0.52 -1.01 0.83 -2.30 -0.92 0.00 0.00 175.35 172.46 3imm n PRO 140 N -2.81 0.54 -0.55 -1.68 -0.02 -1.26 -1.94 135.00 127.29 3imm n PRO 140 Ca 0.08 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3imm n PRO 140 Cb 0.53 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3imm n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3imm n GLY 141 N 1.76 1.25 3.81 -1.23 0.00 0.60 -4.96 105.19 106.42 3imm n GLY 141 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 3imm n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3imm s GLU 142 N -0.25 3.25 0.19 1.61 0.41 -0.82 -4.98 118.70 118.11 3imm s GLU 142 Ca 0.00 -0.28 -0.30 0.00 -0.41 0.00 0.00 54.97 53.98 3imm s GLU 142 Cb 0.00 -3.01 -0.08 0.00 -1.78 0.00 0.00 34.13 29.26 3imm s GLU 142 CO 0.00 0.73 1.00 -1.58 -0.49 0.00 0.00 175.26 174.92 3imm s TRP 143 N -1.04 3.80 0.29 1.61 0.52 -1.26 -4.35 118.94 118.50 3imm s TRP 143 Ca 0.17 1.78 0.09 0.00 0.02 0.00 0.00 56.10 58.16 3imm s TRP 143 Cb -0.12 -3.11 -0.04 0.00 -1.15 0.00 0.00 33.47 29.05 3imm s TRP 143 CO 0.06 0.01 0.03 -0.80 0.02 0.00 0.00 176.95 176.28 3imm s ASN 144 N -0.55 4.53 0.40 2.95 0.01 0.17 -4.92 114.94 117.53 3imm s ASN 144 Ca 0.45 -0.72 0.04 0.00 -0.71 0.00 0.00 52.86 51.92 3imm s ASN 144 Cb -0.27 -0.77 -0.03 0.00 0.41 0.00 0.00 41.25 40.59 3imm s ASN 144 CO 0.33 -0.11 0.13 -2.28 -1.51 0.00 0.00 177.10 173.67 3imm s HIS 145 N -2.38 1.78 -0.29 2.20 5.65 -1.26 -1.48 115.29 119.52 3imm s HIS 145 Ca 0.33 -1.29 -0.16 0.00 0.25 0.00 0.00 55.06 54.19 3imm s HIS 145 Cb -0.05 -1.13 0.13 0.00 -1.18 0.00 0.00 32.58 30.36 3imm s HIS 145 CO 0.21 -0.32 0.92 0.50 -0.65 0.00 0.00 174.74 175.40 3imm s ARG 147 N -3.71 0.43 -0.20 2.88 3.52 0.01 -0.35 118.95 121.53 3imm s ARG 147 Ca 0.25 0.77 0.01 0.00 -0.13 0.00 0.00 55.73 56.63 3imm s ARG 147 Cb 0.03 0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.56 3imm s ARG 147 CO 0.15 -0.09 -0.16 0.42 -0.81 0.00 0.00 175.30 174.81 3imm s ILE 148 N 1.47 2.23 -0.27 4.11 1.01 0.10 -0.72 121.20 129.14 3imm s ILE 148 Ca -0.09 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.41 3imm s ILE 148 Cb -0.04 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3imm s ILE 148 CO -0.16 0.40 0.14 -0.54 0.00 0.00 0.00 174.94 174.78 3imm s LYS 149 N 1.27 3.76 -0.45 2.79 1.02 -1.26 -0.46 119.74 126.41 3imm s LYS 149 Ca 0.02 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 55.60 3imm s LYS 149 Cb -0.15 -3.53 0.12 0.00 -0.52 0.00 0.00 37.83 33.75 3imm s LYS 149 CO -0.10 -0.22 0.21 0.00 -0.92 0.00 0.00 175.35 174.32 3imm s ALA 151 N 0.42 3.76 0.00 0.00 0.00 0.94 -1.99 121.76 124.89 3imm s ALA 151 Ca 0.13 -3.56 0.00 0.00 0.00 0.00 0.00 51.96 48.53 3imm s ALA 151 Cb -0.22 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.40 3imm s ALA 151 CO -0.04 -2.10 0.00 0.41 0.00 0.00 0.00 175.76 174.03 3imm n GLY 152 N 2.75 3.25 0.00 0.00 0.00 -1.26 -1.50 105.19 108.43 3imm n GLY 152 Ca 0.14 0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.33 3imm n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3imm n GLN 153 N 14.00 0.14 -3.56 1.61 6.02 -1.26 -4.64 117.38 129.69 3imm n GLN 153 Ca 0.00 0.16 -0.39 0.00 -0.01 0.00 0.00 57.00 56.75 3imm n GLN 153 Cb 0.00 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.65 3imm n GLN 153 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3imm s HIS 154 N -2.77 3.22 0.52 1.08 3.76 -0.56 -4.18 115.29 116.36 3imm s HIS 154 Ca 0.13 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 54.92 3imm s HIS 154 Cb 0.12 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.37 3imm s HIS 154 CO 0.29 -0.31 0.13 0.42 -0.85 0.00 0.00 174.74 174.42 3imm s ILE 155 N 1.72 1.31 -0.29 0.60 1.01 -1.26 -0.04 121.20 124.26 3imm s ILE 155 Ca 0.06 -1.84 -0.15 0.00 0.00 0.00 0.00 60.65 58.72 3imm s ILE 155 Cb -0.17 -2.15 0.12 0.00 0.01 0.00 0.00 42.46 40.27 3imm s ILE 155 CO 0.10 0.00 0.81 -0.69 0.00 0.00 0.00 174.94 175.16 3imm s VAL 157 N -2.85 -0.28 -0.20 2.92 1.01 0.51 -4.19 120.40 117.32 3imm s VAL 157 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3imm s VAL 157 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.39 3imm s VAL 157 CO 0.08 0.00 -0.12 -0.63 0.00 0.00 0.00 175.10 174.44 3imm s ILE 158 N 1.93 2.77 -0.15 2.22 1.01 0.10 -1.19 121.20 127.89 3imm s ILE 158 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3imm s ILE 158 Cb -0.06 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.20 3imm s ILE 158 CO -0.18 0.48 -0.19 -0.22 0.00 0.00 0.00 174.94 174.82 3imm s LEU 159 N 1.37 2.01 -1.62 2.97 2.96 0.30 -0.81 118.68 125.85 3imm s LEU 159 Ca 0.05 -0.59 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 3imm s LEU 159 Cb -0.14 -1.38 0.12 0.00 0.50 0.00 0.00 46.19 45.29 3imm s LEU 159 CO -0.07 0.02 0.88 0.59 -1.32 0.00 0.00 176.35 176.45 3imm n ASN 160 N 4.38 -4.00 0.00 3.68 3.02 0.53 -0.74 115.26 122.14 3imm n ASN 160 Ca -0.20 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 3imm n ASN 160 Cb 0.51 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.38 3imm n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3imm n GLY 161 N -1.54 0.61 3.41 7.41 0.00 -1.26 -5.03 105.19 108.79 3imm n GLY 161 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3imm n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3imm s LYS 162 N -0.10 3.50 -0.55 1.61 -0.14 0.08 -5.05 119.74 119.09 3imm s LYS 162 Ca 0.00 -0.61 -0.27 0.00 -1.36 0.00 0.00 55.97 53.73 3imm s LYS 162 Cb 0.00 -2.82 -0.01 0.00 -1.68 0.00 0.00 37.83 33.32 3imm s LYS 162 CO 0.00 0.14 1.73 0.21 -0.76 0.00 0.00 175.35 176.68 3imm s LYS 163 N 0.58 2.92 -0.12 1.68 2.20 -1.26 -0.54 119.74 125.20 3imm s LYS 163 Ca -0.05 0.70 0.19 0.00 -0.36 0.00 0.00 55.97 56.45 3imm s LYS 163 Cb -0.15 -4.29 -0.26 0.00 -1.51 0.00 0.00 37.83 31.62 3imm s LYS 163 CO 0.03 -2.38 0.29 1.33 -0.36 0.00 0.00 175.35 174.26 3imm n VAL 164 N 7.15 0.97 -3.74 4.02 0.24 -0.33 -4.88 118.33 121.76 3imm n VAL 164 Ca 0.19 -0.73 -0.12 0.00 -2.04 0.00 0.00 64.34 61.63 3imm n VAL 164 Cb 0.50 -0.37 -0.11 0.00 -1.47 0.00 0.00 33.84 32.39 3imm n VAL 164 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3imm s THR 165 N -2.84 -0.02 0.14 3.34 2.01 -1.15 -0.95 115.64 116.18 3imm s THR 165 Ca -0.08 0.06 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 3imm s THR 165 Cb 0.09 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 3imm s THR 165 CO 0.85 0.02 0.12 -1.61 -0.69 0.00 0.00 174.62 173.32 3imm s GLU 166 N 0.73 0.99 0.23 4.92 2.02 -1.26 -0.37 118.70 125.96 3imm s GLU 166 Ca -0.05 -1.35 -0.07 0.00 0.02 0.00 0.00 54.97 53.53 3imm s GLU 166 Cb -0.06 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.48 3imm s GLU 166 CO -0.05 -0.31 0.42 -3.47 0.02 0.00 0.00 175.26 171.87 3imm n ASP 168 N -0.13 -1.21 0.00 -0.19 -0.08 -1.26 -4.99 116.55 108.69 3imm n ASP 168 Ca -0.06 -2.01 0.00 0.00 -1.51 0.00 0.00 54.79 51.21 3imm n ASP 168 Cb 0.63 2.07 0.00 0.00 2.34 0.00 0.00 41.12 46.16 3imm n ASP 168 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3imm n SER 170 N -1.47 0.00 0.23 1.67 3.41 -1.26 -4.32 113.62 111.88 3imm n SER 170 Ca -0.04 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.72 3imm n SER 170 Cb 0.35 -0.21 0.47 0.00 -0.26 0.00 0.00 64.21 64.56 3imm n SER 170 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3imm h LYS 171 N 0.00 0.00 -3.59 4.33 1.57 -1.96 -3.38 116.57 113.54 3imm h LYS 171 Ca 0.00 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 58.03 3imm h LYS 171 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 3imm h LYS 171 CO 0.00 0.00 2.04 0.91 -0.57 0.00 0.00 179.45 181.83 3imm n TRP 172 N -2.96 3.06 0.19 -1.35 8.01 -1.26 -4.64 117.44 118.49 3imm n TRP 172 Ca 0.02 -2.82 0.08 0.00 -1.31 0.00 0.00 57.50 53.47 3imm n TRP 172 Cb 0.39 -1.98 0.21 0.00 -2.01 0.00 0.00 31.31 27.91 3imm n TRP 172 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 3imm h THR 173 N 3.80 0.43 -2.86 -0.99 1.35 -1.91 1.00 112.91 113.73 3imm h THR 173 Ca 0.40 -1.45 -0.65 0.00 -0.55 0.00 0.00 66.41 64.15 3imm h THR 173 Cb 0.64 2.08 -0.09 0.00 -1.73 0.00 0.00 68.15 69.05 3imm h THR 173 CO 1.62 0.23 -0.50 -0.55 -0.25 0.00 0.00 175.52 176.07 3imm s SER 174 N -6.26 6.22 0.00 5.36 0.15 -1.26 -4.83 113.70 113.08 3imm s SER 174 Ca 0.04 0.38 0.30 0.00 0.70 0.00 0.00 55.95 57.37 3imm s SER 174 Cb 0.07 -2.02 1.48 0.00 -1.71 0.00 0.00 66.02 63.84 3imm s SER 174 CO 0.68 0.35 1.99 0.61 1.20 0.00 0.00 173.24 178.07 3imm n GLY 175 N 2.39 -0.52 0.01 9.45 0.00 -1.26 -4.39 105.19 110.86 3imm n GLY 175 Ca -0.19 -0.32 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 3imm n GLY 175 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3imm n THR 176 N -0.44 0.10 -4.38 2.61 -2.24 -1.26 -4.43 114.28 104.23 3imm n THR 176 Ca 0.21 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.70 3imm n THR 176 Cb 0.23 -0.43 -0.16 0.00 -2.10 0.00 0.00 70.33 67.88 3imm n THR 176 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3imm s LYS 177 N -2.10 1.02 0.40 -0.78 2.20 -1.26 -0.32 119.74 118.90 3imm s LYS 177 Ca -0.01 -0.29 -0.12 0.00 -0.36 0.00 0.00 55.97 55.19 3imm s LYS 177 Cb 0.01 -0.94 -0.07 0.00 -1.51 0.00 0.00 37.83 35.32 3imm s LYS 177 CO 0.10 0.08 0.78 -0.80 -0.36 0.00 0.00 175.35 175.15 3imm s ASN 178 N 0.34 6.59 0.53 1.43 0.01 0.08 -4.50 114.94 119.41 3imm s ASN 178 Ca -0.06 1.20 0.29 0.00 -0.71 0.00 0.00 52.86 53.59 3imm s ASN 178 Cb -0.10 -2.35 1.44 0.00 0.41 0.00 0.00 41.25 40.65 3imm s ASN 178 CO 0.01 -0.37 1.92 -0.65 -1.51 0.00 0.00 177.10 176.49 3imm h PRO 179 N 1.45 0.02 0.00 -0.60 0.11 -1.87 0.33 132.00 131.44 3imm h PRO 179 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3imm h PRO 179 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3imm h PRO 179 CO 0.64 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 3imm n ASP 180 N -4.31 0.00 0.00 -2.05 5.75 -1.26 -4.92 116.55 109.76 3imm n ASP 180 Ca 0.16 -1.02 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3imm n ASP 180 Cb 0.86 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 3imm n ASP 180 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3imm n GLY 181 N 0.96 0.86 3.82 6.12 0.00 0.12 -5.06 105.19 112.00 3imm n GLY 181 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3imm n GLY 181 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3imm s SER 182 N -2.11 6.47 0.20 1.61 1.04 -1.26 -4.72 113.70 114.94 3imm s SER 182 Ca 0.00 1.75 -0.28 0.00 0.48 0.00 0.00 55.95 57.90 3imm s SER 182 Cb 0.00 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 3imm s SER 182 CO 0.00 -0.69 0.88 1.51 0.98 0.00 0.00 173.24 175.92 3imm s ASP 183 N -2.47 7.53 0.07 7.02 -4.77 -1.26 -0.74 116.67 122.05 3imm s ASP 183 Ca 0.63 1.81 -0.30 0.00 -3.30 0.00 0.00 52.55 51.39 3imm s ASP 183 Cb -0.13 -2.56 -0.05 0.00 -1.09 0.00 0.00 42.92 39.09 3imm s ASP 183 CO 0.24 0.16 1.00 -0.63 0.70 0.00 0.00 175.17 176.64 3imm s ILE 184 N -1.04 4.53 0.38 2.11 1.01 0.57 -4.88 121.20 123.88 3imm s ILE 184 Ca 0.40 1.98 -0.25 0.00 0.00 0.00 0.00 60.65 62.77 3imm s ILE 184 Cb -0.25 -4.26 -0.12 0.00 0.01 0.00 0.00 42.46 37.84 3imm s ILE 184 CO 0.30 0.24 1.00 -2.65 0.00 0.00 0.00 174.94 173.83 3imm n PRO 185 N 3.23 1.36 0.03 2.79 -0.02 -1.26 -4.82 135.00 136.31 3imm n PRO 185 Ca 0.04 0.49 0.19 0.00 -2.02 0.00 0.00 63.50 62.20 3imm n PRO 185 Cb 0.49 -1.98 0.69 0.00 -0.02 0.00 0.00 33.50 32.68 3imm n PRO 185 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3imm h SER 186 N 1.69 0.00 0.00 2.55 0.87 -1.94 -0.73 113.55 115.99 3imm h SER 186 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3imm h SER 186 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 3imm h SER 186 CO 0.58 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.21 3imm n TRP 187 N -4.37 0.00 -3.06 2.24 2.14 -1.26 -3.90 117.44 109.23 3imm n TRP 187 Ca 0.08 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.39 3imm n TRP 187 Cb 0.55 0.00 -0.05 0.00 -0.81 0.00 0.00 31.31 31.00 3imm n TRP 187 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 3imm n LEU 188 N -0.93 3.84 0.08 5.67 4.77 -0.28 -4.32 117.00 125.83 3imm n LEU 188 Ca 0.18 -5.54 0.13 0.00 -0.03 0.00 0.00 56.01 50.75 3imm n LEU 188 Cb 0.08 -0.41 0.46 0.00 -2.33 0.00 0.00 43.42 41.23 3imm n LEU 188 CO 0.13 2.29 0.90 -0.81 -1.33 0.00 0.00 177.39 178.58 3imm n PRO 189 N 0.06 0.19 -2.83 3.23 -0.04 -1.25 -4.81 135.00 129.54 3imm n PRO 189 Ca 0.30 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.50 3imm n PRO 189 Cb 0.43 -1.73 -0.04 0.00 -0.04 0.00 0.00 33.50 32.12 3imm n PRO 189 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3imm s LYS 190 N -3.08 4.22 0.10 0.54 1.02 -1.26 -4.18 119.74 117.10 3imm s LYS 190 Ca 0.11 1.06 -0.34 0.00 0.02 0.00 0.00 55.97 56.83 3imm s LYS 190 Cb 0.14 -3.63 -0.13 0.00 -0.52 0.00 0.00 37.83 33.69 3imm s LYS 190 CO 0.57 -0.51 1.66 -2.30 -0.92 0.00 0.00 175.35 173.85 3imm n PRO 191 N 5.95 2.21 0.28 -1.68 -0.02 -1.26 -4.76 135.00 135.70 3imm n PRO 191 Ca 0.07 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.49 3imm n PRO 191 Cb 0.47 -2.59 0.79 0.00 -0.02 0.00 0.00 33.50 32.15 3imm n PRO 191 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3imm h PHE 192 N 6.82 0.00 0.00 6.00 -1.00 -1.73 -1.72 116.94 125.30 3imm h PHE 192 Ca -0.46 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.32 3imm h PHE 192 Cb 1.25 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.81 3imm h PHE 192 CO 0.69 0.09 -0.00 0.00 -1.61 0.00 0.00 178.31 177.47 3imm h ALA 193 N 1.91 1.22 0.00 2.45 0.00 -1.10 -2.50 119.26 121.24 3imm h ALA 193 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3imm h ALA 193 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3imm h ALA 193 CO 0.01 0.01 -1.32 0.39 0.00 0.00 0.00 179.25 178.34 3imm n GLU 194 N -3.40 0.40 -2.13 0.00 1.02 -0.66 -4.79 120.64 111.08 3imm n GLU 194 Ca -0.03 -0.07 -0.41 0.00 -0.02 0.00 0.00 57.16 56.63 3imm n GLU 194 Cb 0.09 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 3imm n GLU 194 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3imm s LEU 195 N -3.49 4.40 0.65 -4.62 1.02 -0.94 -4.99 118.68 110.71 3imm s LEU 195 Ca 0.02 2.50 -0.17 0.00 0.02 0.00 0.00 54.13 56.50 3imm s LEU 195 Cb 0.15 -3.61 -0.02 0.00 0.02 0.00 0.00 46.19 42.73 3imm s LEU 195 CO 0.85 -0.60 1.10 -2.65 0.02 0.00 0.00 176.35 175.07 3imm n PRO 196 N 2.57 0.87 -1.65 1.29 -0.02 -1.26 -4.96 135.00 131.84 3imm n PRO 196 Ca 0.07 0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 61.67 3imm n PRO 196 Cb 0.42 -2.33 0.07 0.00 -0.02 0.00 0.00 33.50 31.63 3imm n PRO 196 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3imm n THR 197 N -2.04 2.76 -3.74 3.45 -2.24 -1.26 -4.90 114.28 106.31 3imm n THR 197 Ca 0.15 -3.71 -0.13 0.00 -2.27 0.00 0.00 64.05 58.09 3imm n THR 197 Cb 0.48 -1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 67.61 3imm n THR 197 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3imm s LYS 198 N -3.59 0.42 0.00 -0.78 2.20 -1.26 -4.58 119.74 112.15 3imm s LYS 198 Ca 0.53 0.57 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 3imm s LYS 198 Cb 0.43 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 3imm s LYS 198 CO 0.02 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 3imm n GLY 199 N 3.15 -0.94 3.82 5.54 0.00 -1.01 -4.51 105.19 111.24 3imm n GLY 199 Ca -0.15 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 3imm n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3imm s PHE 200 N -3.00 3.21 -0.10 1.61 0.08 0.79 -1.29 117.98 119.28 3imm s PHE 200 Ca 0.00 1.46 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 3imm s PHE 200 Cb 0.00 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.53 3imm s PHE 200 CO 0.00 -0.89 -0.04 0.42 -0.10 0.00 0.00 175.22 174.61 3imm s ILE 201 N -2.69 3.88 0.16 0.64 1.01 -1.26 -1.75 121.20 121.18 3imm s ILE 201 Ca 0.60 -0.39 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 3imm s ILE 201 Cb -0.13 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.68 3imm s ILE 201 CO 0.41 0.57 0.21 -0.83 0.00 0.00 0.00 174.94 175.29 3imm s GLY 202 N -0.43 0.73 0.15 6.18 0.00 -0.48 -0.41 107.32 113.06 3imm s GLY 202 Ca 0.07 -1.15 0.10 0.00 0.00 0.00 0.00 44.72 43.74 3imm s GLY 202 CO 0.02 -1.05 -0.22 1.08 0.00 0.00 0.00 173.10 172.93 3imm s LEU 203 N -3.01 2.51 -0.06 0.66 1.43 -0.67 -0.66 118.68 118.87 3imm s LEU 203 Ca 0.22 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.55 3imm s LEU 203 Cb 0.05 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 3imm s LEU 203 CO 0.02 0.16 0.26 1.56 0.23 0.00 0.00 176.35 178.58 3imm h GLN 204 N 3.60 -0.19 0.00 1.70 4.20 -1.88 -1.50 115.11 121.04 3imm h GLN 204 Ca -0.49 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3imm h GLN 204 Cb 1.18 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.00 3imm h GLN 204 CO 0.44 -0.13 0.00 0.41 -0.67 0.00 0.00 178.83 178.89 3imm n GLY 205 N 1.23 1.81 3.65 3.46 0.00 -1.26 -2.79 105.19 111.30 3imm n GLY 205 Ca -0.02 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 3imm n GLY 205 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3imm s LYS 206 N -2.13 4.17 -0.01 1.61 2.20 0.38 -4.80 119.74 121.16 3imm s LYS 206 Ca 0.00 0.42 0.13 0.00 -0.36 0.00 0.00 55.97 56.16 3imm s LYS 206 Cb 0.00 -3.58 -0.18 0.00 -1.51 0.00 0.00 37.83 32.56 3imm s LYS 206 CO 0.00 -0.20 0.41 -2.39 -0.36 0.00 0.00 175.35 172.81 3imm n HIS 207 N 4.96 0.00 -0.86 4.03 1.44 -1.26 -2.63 115.22 120.90 3imm n HIS 207 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3imm n HIS 207 Cb 0.50 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.45 3imm n HIS 207 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3imm n GLY 208 N 1.54 3.76 0.14 -1.39 0.00 -1.26 -5.06 105.19 102.92 3imm n GLY 208 Ca -0.00 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.66 3imm n GLY 208 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3imm h ASP 209 N 0.00 0.00 -3.28 1.61 3.32 -1.98 -3.44 116.42 112.64 3imm h ASP 209 Ca 0.00 -0.04 -0.57 0.00 0.02 0.00 0.00 57.03 56.45 3imm h ASP 209 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3imm h ASP 209 CO 0.00 0.02 0.46 -0.44 -1.72 0.00 0.00 179.24 177.55 3imm s SER 210 N -5.26 7.10 0.58 6.45 0.01 -1.26 -5.05 113.70 116.26 3imm s SER 210 Ca 0.07 1.35 -0.02 0.00 1.31 0.00 0.00 55.95 58.65 3imm s SER 210 Cb 0.09 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.85 3imm s SER 210 CO 0.68 -0.40 0.84 -0.76 0.41 0.00 0.00 173.24 174.01 3imm s LEU 211 N 2.00 3.22 -0.05 2.44 1.43 -1.26 -4.80 118.68 121.66 3imm s LEU 211 Ca 0.43 0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.79 3imm s LEU 211 Cb -0.17 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 42.93 3imm s LEU 211 CO 0.15 -1.16 0.15 -0.51 0.23 0.00 0.00 176.35 175.22 3imm s ILE 212 N -2.89 0.02 -0.03 -0.59 2.07 -1.26 -3.01 121.20 115.51 3imm s ILE 212 Ca 0.55 -0.16 0.06 0.00 -1.41 0.00 0.00 60.65 59.70 3imm s ILE 212 Cb -0.10 -0.27 -0.01 0.00 0.13 0.00 0.00 42.46 42.20 3imm s ILE 212 CO 0.41 -0.09 -0.21 0.26 -1.91 0.00 0.00 174.94 173.41 3imm s TRP 213 N -0.24 1.91 0.17 3.50 0.51 -0.99 -4.61 118.94 119.19 3imm s TRP 213 Ca -0.03 -0.42 0.11 0.00 -2.12 0.00 0.00 56.10 53.64 3imm s TRP 213 Cb -0.03 -1.24 -0.04 0.00 -0.81 0.00 0.00 33.47 31.35 3imm s TRP 213 CO 0.00 -0.08 -0.24 -0.06 -0.51 0.00 0.00 176.95 176.07 3imm s PHE 214 N -0.36 2.24 0.23 -1.98 0.08 -0.12 -1.27 117.98 116.80 3imm s PHE 214 Ca 0.05 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.50 3imm s PHE 214 Cb -0.09 -1.14 0.04 0.00 -0.57 0.00 0.00 43.02 41.26 3imm s PHE 214 CO 0.00 0.44 0.67 -0.98 -0.10 0.00 0.00 175.22 175.25 3imm s ARG 215 N -2.51 1.57 -1.47 0.44 1.70 -0.83 0.48 118.95 118.33 3imm s ARG 215 Ca 0.18 -0.77 -0.05 0.00 -0.47 0.00 0.00 55.73 54.62 3imm s ARG 215 Cb -0.08 0.60 0.04 0.00 -0.57 0.00 0.00 34.95 34.93 3imm s ARG 215 CO 0.08 -0.71 0.55 0.09 -1.08 0.00 0.00 175.30 174.23 3imm n ASN 216 N -0.43 -1.27 -4.60 -2.89 3.02 -1.26 -0.76 115.26 107.08 3imm n ASN 216 Ca -0.09 -0.98 -0.43 0.00 -0.03 0.00 0.00 54.58 53.05 3imm n ASN 216 Cb 0.61 -3.12 -0.04 0.00 -0.61 0.00 0.00 39.78 36.62 3imm n ASN 216 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3imm s ILE 217 N -3.77 4.58 0.08 2.41 1.01 -1.26 -4.08 121.20 120.18 3imm s ILE 217 Ca 0.19 1.14 -0.06 0.00 0.00 0.00 0.00 60.65 61.93 3imm s ILE 217 Cb -0.10 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3imm s ILE 217 CO 0.89 -0.56 0.11 -1.59 0.00 0.00 0.00 174.94 173.79 3imm s LYS 218 N 3.48 0.78 -0.01 2.79 -2.85 -0.13 -0.94 119.74 122.86 3imm s LYS 218 Ca 0.38 -1.08 -0.05 0.00 -1.00 0.00 0.00 55.97 54.22 3imm s LYS 218 Cb -0.12 0.29 -0.00 0.00 -2.06 0.00 0.00 37.83 35.94 3imm s LYS 218 CO 0.19 -0.22 0.10 -1.50 0.10 0.00 0.00 175.35 174.02 3imm s ILE 219 N -3.89 0.07 0.12 3.79 2.07 0.05 -0.88 121.20 122.53 3imm s ILE 219 Ca 0.07 -0.57 -0.10 0.00 -1.41 0.00 0.00 60.65 58.64 3imm s ILE 219 Cb 0.06 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.32 3imm s ILE 219 CO -0.10 -0.31 0.27 0.00 -1.91 0.00 0.00 174.94 172.89 3imm s ARG 220 N -1.05 0.99 0.50 3.50 1.70 -0.64 -0.99 118.95 122.97 3imm s ARG 220 Ca -0.11 -0.97 -0.19 0.00 -0.47 0.00 0.00 55.73 53.98 3imm s ARG 220 Cb -0.06 0.38 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 3imm s ARG 220 CO 0.01 -0.35 1.03 -1.12 -1.08 0.00 0.00 175.30 173.79 3imm s SER 221 N -2.88 6.30 0.00 -2.89 0.01 -1.26 -1.05 113.70 111.93 3imm s SER 221 Ca 0.08 1.88 0.32 0.00 1.31 0.00 0.00 55.95 59.54 3imm s SER 221 Cb 0.04 -2.55 1.83 0.00 0.21 0.00 0.00 66.02 65.55 3imm s SER 221 CO -0.08 -0.81 2.19 0.18 0.41 0.00 0.00 173.24 175.13