#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drx n ALA 36 N 0.00 1.28 -2.64 1.96 0.00 -1.26 -4.47 120.51 115.38 3drx n ALA 36 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 3drx n ALA 36 Cb 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3drx n ALA 36 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3drx s GLN 37 N -2.11 2.64 0.27 0.00 -0.21 -1.26 -5.11 119.66 113.89 3drx s GLN 37 Ca 0.00 -0.69 -0.30 0.00 0.02 0.00 0.00 55.36 54.39 3drx s GLN 37 Cb 0.00 -2.57 -0.11 0.00 1.00 0.00 0.00 33.01 31.33 3drx s GLN 37 CO 0.00 0.61 1.50 1.03 -2.12 0.00 0.00 175.29 176.30 3drx s ARG 38 N -1.56 4.21 -0.17 2.91 3.00 -1.26 -4.82 118.95 121.26 3drx s ARG 38 Ca 0.19 2.41 -0.15 0.00 0.00 0.00 0.00 55.73 58.18 3drx s ARG 38 Cb -0.11 -3.07 -0.07 0.00 0.00 0.00 0.00 34.95 31.70 3drx s ARG 38 CO 0.10 -0.50 0.68 -2.30 0.00 0.00 0.00 175.30 173.27 3drx n PRO 39 N 2.21 0.00 -1.38 3.54 -0.02 -1.26 -3.77 135.00 134.32 3drx n PRO 39 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3drx n PRO 39 Cb 0.39 -0.51 0.00 0.00 -0.02 0.00 0.00 33.50 33.36 3drx n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3drx n GLY 40 N 2.21 0.40 3.09 -1.23 0.00 -1.26 -5.09 105.19 103.31 3drx n GLY 40 Ca 0.16 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3drx n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3drx s SER 41 N -2.50 1.56 -0.01 1.61 0.15 -1.25 -5.12 113.70 108.13 3drx s SER 41 Ca 0.00 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 3drx s SER 41 Cb 0.00 -0.18 -0.06 0.00 -1.71 0.00 0.00 66.02 64.06 3drx s SER 41 CO 0.00 0.16 1.67 0.68 1.20 0.00 0.00 173.24 176.95 3drx s VAL 42 N -0.29 3.42 -0.27 4.45 -7.23 -1.26 -5.00 120.40 114.21 3drx s VAL 42 Ca 0.05 0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 60.82 3drx s VAL 42 Cb -0.05 -3.40 0.16 0.00 0.56 0.00 0.00 36.38 33.65 3drx s VAL 42 CO -0.00 -0.04 0.46 -0.55 -0.31 0.00 0.00 175.10 174.66 3drx s SER 43 N 3.15 -0.38 -0.31 4.85 0.15 -1.26 -5.10 113.70 114.81 3drx s SER 43 Ca 0.74 0.40 -0.03 0.00 0.70 0.00 0.00 55.95 57.76 3drx s SER 43 Cb -0.35 1.51 0.05 0.00 -1.71 0.00 0.00 66.02 65.51 3drx s SER 43 CO 0.31 -0.29 0.02 -0.75 1.20 0.00 0.00 173.24 173.73 3drx s LYS 44 N 2.66 2.48 0.36 5.44 2.36 -1.26 -5.09 119.74 126.69 3drx s LYS 44 Ca 0.15 -1.24 -0.16 0.00 -2.55 0.00 0.00 55.97 52.16 3drx s LYS 44 Cb -0.15 -3.25 -0.09 0.00 -1.05 0.00 0.00 37.83 33.29 3drx s LYS 44 CO -0.19 -0.63 0.81 -1.58 1.55 0.00 0.00 175.35 175.30 3drx s TRP 45 N 1.29 3.36 -0.01 4.03 0.52 -1.26 -1.60 118.94 125.27 3drx s TRP 45 Ca -0.04 1.32 -0.02 0.00 0.02 0.00 0.00 56.10 57.37 3drx s TRP 45 Cb -0.20 -2.62 -0.00 0.00 -1.15 0.00 0.00 33.47 29.50 3drx s TRP 45 CO -0.00 0.01 0.05 0.14 0.02 0.00 0.00 176.95 177.17 3drx s VAL 46 N -2.09 0.04 -0.16 4.03 -7.23 0.52 -4.83 120.40 110.68 3drx s VAL 46 Ca 0.56 -0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 60.41 3drx s VAL 46 Cb -0.10 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.65 3drx s VAL 46 CO 0.18 -0.17 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.57 3drx s ARG 47 N -0.51 3.38 -0.22 4.82 0.52 -1.26 -1.17 118.95 124.51 3drx s ARG 47 Ca -0.06 -0.66 -0.09 0.00 -0.52 0.00 0.00 55.73 54.41 3drx s ARG 47 Cb -0.04 -2.77 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 3drx s ARG 47 CO 0.00 0.06 0.10 -0.51 0.02 0.00 0.00 175.30 174.97 3drx s LEU 48 N 0.76 3.84 -0.84 2.53 1.43 0.33 -1.40 118.68 125.33 3drx s LEU 48 Ca -0.04 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.97 3drx s LEU 48 Cb -0.15 -2.01 0.22 0.00 0.03 0.00 0.00 46.19 44.28 3drx s LEU 48 CO 0.01 0.09 0.77 0.21 0.23 0.00 0.00 176.35 177.66 3drx s ASN 49 N 0.89 6.63 -0.68 2.29 3.84 0.16 0.61 114.94 128.69 3drx s ASN 49 Ca 0.05 -2.83 -0.25 0.00 0.21 0.00 0.00 52.86 50.04 3drx s ASN 49 Cb -0.13 -2.16 0.05 0.00 -0.55 0.00 0.00 41.25 38.45 3drx s ASN 49 CO 0.03 -0.51 1.11 -0.69 -2.79 0.00 0.00 177.10 174.25 3drx s VAL 50 N -0.06 4.06 -1.00 -5.21 1.01 -0.11 -1.75 120.40 117.35 3drx s VAL 50 Ca 0.19 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 3drx s VAL 50 Cb -0.11 -4.77 0.02 0.00 0.00 0.00 0.00 36.38 31.51 3drx s VAL 50 CO -0.08 -1.58 0.12 0.61 0.00 0.00 0.00 175.10 174.17 3drx n GLY 51 N 5.31 -0.50 0.00 4.51 0.00 0.14 -2.06 105.19 112.60 3drx n GLY 51 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3drx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drx n GLY 52 N -0.87 1.69 3.42 -0.02 0.00 -1.26 -4.81 105.19 103.34 3drx n GLY 52 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3drx n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3drx s THR 53 N -2.04 2.83 0.22 2.61 2.01 -0.88 -5.10 115.64 115.30 3drx s THR 53 Ca 0.00 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 3drx s THR 53 Cb 0.00 -2.10 -0.07 0.00 0.01 0.00 0.00 72.50 70.34 3drx s THR 53 CO 0.00 0.58 0.57 -0.31 -0.69 0.00 0.00 174.62 174.77 3drx s TYR 54 N -0.52 3.46 -0.02 4.92 2.02 -1.26 -0.93 117.35 125.02 3drx s TYR 54 Ca 0.07 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 57.74 3drx s TYR 54 Cb -0.11 -2.31 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 3drx s TYR 54 CO 0.01 0.29 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.17 3drx s PHE 55 N -1.75 0.61 -0.14 2.71 0.08 0.20 -4.94 117.98 114.75 3drx s PHE 55 Ca 0.46 -0.13 -0.09 0.00 0.12 0.00 0.00 56.93 57.29 3drx s PHE 55 Cb -0.12 -0.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 3drx s PHE 55 CO 0.20 -0.08 0.16 -1.17 -0.10 0.00 0.00 175.22 174.23 3drx s LEU 56 N 0.29 4.32 0.00 -0.37 2.96 -1.26 -0.51 118.68 124.11 3drx s LEU 56 Ca -0.03 0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 54.18 3drx s LEU 56 Cb -0.07 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.54 3drx s LEU 56 CO -0.00 0.31 0.57 1.07 -1.32 0.00 0.00 176.35 176.98 3drx n THR 57 N 2.60 0.00 -4.42 3.68 5.66 -0.32 -4.99 114.28 116.48 3drx n THR 57 Ca -0.18 -0.73 -0.25 0.00 -3.05 0.00 0.00 64.05 59.84 3drx n THR 57 Cb 0.54 0.72 -0.13 0.00 -1.55 0.00 0.00 70.33 69.91 3drx n THR 57 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3drx s THR 58 N -2.35 1.70 0.40 1.09 -4.23 -1.26 -0.35 115.64 110.64 3drx s THR 58 Ca 0.12 -1.42 0.15 0.00 -1.18 0.00 0.00 61.69 59.36 3drx s THR 58 Cb -0.04 -1.52 0.36 0.00 1.34 0.00 0.00 72.50 72.64 3drx s THR 58 CO 0.09 0.04 1.88 0.03 -0.54 0.00 0.00 174.62 176.12 3drx h ARG 59 N 4.37 0.47 -0.63 3.99 3.08 -1.59 0.12 114.38 124.19 3drx h ARG 59 Ca -0.45 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.69 3drx h ARG 59 Cb 1.17 -0.11 -0.12 0.00 0.08 0.00 0.00 29.97 31.00 3drx h ARG 59 CO 0.41 0.31 -0.30 0.37 -1.07 0.00 0.00 179.97 179.69 3drx h GLN 60 N 0.48 -0.12 -0.15 0.04 5.75 -1.82 -2.15 115.11 117.15 3drx h GLN 60 Ca 0.43 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.91 3drx h GLN 60 Cb 0.94 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 3drx h GLN 60 CO -0.17 -0.08 -0.04 1.15 -2.65 0.00 0.00 178.83 177.05 3drx h THR 61 N -0.12 1.12 -0.34 2.39 2.02 -1.13 -3.00 112.91 113.86 3drx h THR 61 Ca 0.26 -0.49 -0.20 0.00 0.77 0.00 0.00 66.41 66.75 3drx h THR 61 Cb 0.55 1.05 -0.10 0.00 -1.74 0.00 0.00 68.15 67.91 3drx h THR 61 CO -0.70 0.16 0.26 0.18 0.37 0.00 0.00 175.52 175.79 3drx n LEU 62 N -4.37 5.21 0.00 2.58 4.77 -0.81 -3.48 117.00 120.90 3drx n LEU 62 Ca -0.01 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 3drx n LEU 62 Cb 0.19 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3drx n LEU 62 CO 0.36 0.93 0.14 0.00 -1.33 0.00 0.00 177.39 177.49 3drx h ARG 64 N 0.00 0.66 -3.13 0.00 9.65 -1.79 -3.34 114.38 116.44 3drx h ARG 64 Ca 0.00 -0.04 -0.59 0.00 -1.10 0.00 0.00 59.98 58.25 3drx h ARG 64 Cb 0.09 -0.15 -0.40 0.00 -1.39 0.00 0.00 29.97 28.13 3drx h ARG 64 CO 0.00 0.44 -0.77 0.34 2.80 0.00 0.00 179.97 182.78 3drx s ASP 65 N -5.77 3.67 0.00 -3.80 -1.08 -1.26 -4.97 116.67 103.46 3drx s ASP 65 Ca -0.10 -2.07 0.00 0.00 -0.52 0.00 0.00 52.55 49.86 3drx s ASP 65 Cb 0.22 -0.81 0.00 0.00 -1.46 0.00 0.00 42.92 40.87 3drx s ASP 65 CO 0.79 -0.34 0.60 -2.65 0.52 0.00 0.00 175.17 174.08 3drx n PRO 66 N 4.26 0.00 0.01 4.34 -0.02 -1.26 -1.09 135.00 141.24 3drx n PRO 66 Ca 0.04 0.15 -0.01 0.00 -2.02 0.00 0.00 63.50 61.67 3drx n PRO 66 Cb 0.38 -1.53 -0.11 0.00 -0.02 0.00 0.00 33.50 32.23 3drx n PRO 66 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3drx n LYS 67 N -1.10 0.64 -2.67 -0.52 5.02 -1.26 -4.90 118.16 113.37 3drx n LYS 67 Ca 0.00 0.14 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 3drx n LYS 67 Cb 0.03 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.26 3drx n LYS 67 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3drx s SER 68 N -5.60 6.66 0.52 4.39 0.15 -0.25 -4.94 113.70 114.64 3drx s SER 68 Ca -0.05 1.84 0.30 0.00 0.70 0.00 0.00 55.95 58.74 3drx s SER 68 Cb 0.09 -2.55 1.34 0.00 -1.71 0.00 0.00 66.02 63.18 3drx s SER 68 CO 0.83 -0.56 1.99 2.19 1.20 0.00 0.00 173.24 178.89 3drx h PHE 69 N 1.84 0.00 -0.12 3.44 -5.15 -1.86 -1.09 116.94 114.00 3drx h PHE 69 Ca -0.49 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.31 3drx h PHE 69 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.37 3drx h PHE 69 CO 0.59 0.10 0.25 -0.07 -2.00 0.00 0.00 178.31 177.18 3drx h LEU 70 N 0.00 0.00 -2.22 2.10 3.38 -1.91 -0.90 115.31 115.76 3drx h LEU 70 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3drx h LEU 70 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3drx h LEU 70 CO 0.01 0.00 -0.06 0.22 0.09 0.00 0.00 178.44 178.70 3drx h TYR 71 N 0.00 0.00 0.00 1.13 3.20 -1.33 -2.33 116.97 117.64 3drx h TYR 71 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3drx h TYR 71 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3drx h TYR 71 CO 0.00 0.06 0.00 0.54 -1.64 0.00 0.00 178.16 177.12 3drx n ARG 72 N -3.62 0.00 0.00 1.82 1.74 -0.34 0.46 116.66 116.72 3drx n ARG 72 Ca -0.02 0.23 0.06 0.00 -0.77 0.00 0.00 57.85 57.34 3drx n ARG 72 Cb 0.17 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.12 3drx n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3drx n LEU 73 N -1.23 1.55 -0.27 0.55 4.32 -0.88 -4.65 117.00 116.40 3drx n LEU 73 Ca 0.00 -0.85 0.03 0.00 -0.02 0.00 0.00 56.01 55.17 3drx n LEU 73 Cb 0.00 0.00 0.16 0.00 -1.62 0.00 0.00 43.42 41.96 3drx n LEU 73 CO 0.00 0.30 1.09 0.00 -1.22 0.00 0.00 177.39 177.56 3drx s GLN 75 N -6.03 3.44 -0.23 0.00 -2.07 -1.26 -4.64 119.66 108.87 3drx s GLN 75 Ca -0.12 -0.69 -0.06 0.00 -1.82 0.00 0.00 55.36 52.66 3drx s GLN 75 Cb 0.19 -2.92 -0.22 0.00 -1.09 0.00 0.00 33.01 28.97 3drx s GLN 75 CO 0.77 0.46 3.28 0.00 -1.32 0.00 0.00 175.29 178.49 3drx n ALA 76 N -1.08 6.10 -1.40 2.60 0.00 -1.26 -4.94 120.51 120.53 3drx n ALA 76 Ca -0.08 -1.91 -0.62 0.00 0.00 0.00 0.00 53.44 50.83 3drx n ALA 76 Cb 0.56 -2.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.43 3drx n ALA 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3drx n ASP 77 N 2.72 0.97 -0.11 0.00 4.64 -1.26 -4.86 116.55 118.64 3drx n ASP 77 Ca 0.44 0.81 -0.11 0.00 -1.38 0.00 0.00 54.79 54.56 3drx n ASP 77 Cb 0.75 -0.92 -0.03 0.00 -1.04 0.00 0.00 41.12 39.88 3drx n ASP 77 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3drx h PRO 78 N 8.06 0.56 -0.79 -0.67 0.13 -2.01 -3.15 132.00 134.12 3drx h PRO 78 Ca -0.20 -0.17 -0.44 0.00 -0.87 0.00 0.00 66.00 64.32 3drx h PRO 78 Cb 1.40 -0.06 -0.25 0.00 0.13 0.00 0.00 31.00 32.23 3drx h PRO 78 CO 1.06 0.68 0.40 -0.40 -0.23 0.00 0.00 178.00 179.50 3drx n ASP 79 N -4.56 3.86 0.00 1.44 5.75 -1.26 -4.76 116.55 117.02 3drx n ASP 79 Ca -0.02 -3.70 0.00 0.00 -0.01 0.00 0.00 54.79 51.06 3drx n ASP 79 Cb 0.25 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 3drx n ASP 79 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3drx n LEU 80 N -1.10 0.46 -3.15 -2.12 7.94 -1.19 -5.00 117.00 112.85 3drx n LEU 80 Ca 0.51 0.58 -0.06 0.00 -1.11 0.00 0.00 56.01 55.93 3drx n LEU 80 Cb 1.33 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 45.07 3drx n LEU 80 CO 0.49 -0.21 0.19 -0.67 -1.11 0.00 0.00 177.39 176.08 3drx n ASP 81 N -1.14 -7.32 -4.84 1.96 -0.08 -1.26 -5.03 116.55 98.84 3drx n ASP 81 Ca 0.00 -0.10 -0.38 0.00 -1.51 0.00 0.00 54.79 52.80 3drx n ASP 81 Cb 0.00 -4.67 -0.06 0.00 2.34 0.00 0.00 41.12 38.73 3drx n ASP 81 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3drx s SER 82 N -2.87 6.70 -0.48 1.67 0.01 -1.26 -4.98 113.70 112.48 3drx s SER 82 Ca 0.06 0.83 -0.45 0.00 1.31 0.00 0.00 55.95 57.70 3drx s SER 82 Cb -0.01 -2.21 -0.19 0.00 0.21 0.00 0.00 66.02 63.82 3drx s SER 82 CO 0.78 0.33 1.87 0.47 0.41 0.00 0.00 173.24 177.10 3drx n ASP 83 N 1.98 1.13 -4.72 2.44 9.92 -1.26 -4.83 116.55 121.21 3drx n ASP 83 Ca -0.15 0.92 -0.24 0.00 -0.53 0.00 0.00 54.79 54.80 3drx n ASP 83 Cb 0.53 -0.92 -0.07 0.00 -0.64 0.00 0.00 41.12 40.02 3drx n ASP 83 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3drx s LYS 84 N 4.50 2.27 0.40 -1.24 1.02 -1.26 -1.18 119.74 124.25 3drx s LYS 84 Ca 1.11 -1.68 0.06 0.00 0.02 0.00 0.00 55.97 55.48 3drx s LYS 84 Cb -1.44 -2.07 0.06 0.00 -0.52 0.00 0.00 37.83 33.86 3drx s LYS 84 CO 0.72 0.03 0.48 -0.40 -0.92 0.00 0.00 175.35 175.27 3drx n ASP 85 N -1.15 1.70 -0.29 2.83 5.68 -0.91 -4.89 116.55 119.53 3drx n ASP 85 Ca -0.02 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 3drx n ASP 85 Cb 0.63 -0.22 0.05 0.00 -1.14 0.00 0.00 41.12 40.44 3drx n ASP 85 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 3drx n GLU 86 N -1.74 -0.16 -0.34 0.11 0.28 -1.26 0.14 120.64 117.68 3drx n GLU 86 Ca 0.08 1.19 0.03 0.00 -0.16 0.00 0.00 57.16 58.29 3drx n GLU 86 Cb 0.43 -1.77 0.16 0.00 1.43 0.00 0.00 31.44 31.69 3drx n GLU 86 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 3drx n THR 87 N -5.16 1.04 -2.21 3.84 -2.24 -1.26 -4.88 114.28 103.41 3drx n THR 87 Ca 0.09 -0.54 -0.19 0.00 -2.27 0.00 0.00 64.05 61.14 3drx n THR 87 Cb 0.33 -0.35 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 3drx n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3drx n GLY 88 N 0.32 -0.00 3.77 3.38 0.00 0.12 -4.98 105.19 107.80 3drx n GLY 88 Ca 0.11 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3drx n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drx s ALA 89 N -2.88 3.70 0.24 4.61 0.00 -1.26 -4.75 121.76 121.42 3drx s ALA 89 Ca 0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 3drx s ALA 89 Cb 0.00 -2.22 -0.12 0.00 0.00 0.00 0.00 23.12 20.78 3drx s ALA 89 CO 0.00 0.27 1.65 0.71 0.00 0.00 0.00 175.76 178.39 3drx s TYR 90 N -0.05 2.86 0.01 0.00 2.02 -0.50 -2.14 117.35 119.56 3drx s TYR 90 Ca 0.14 0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 57.21 3drx s TYR 90 Cb -0.12 -4.09 -0.06 0.00 -0.40 0.00 0.00 41.96 37.29 3drx s TYR 90 CO 0.03 -3.93 0.52 -0.51 -1.57 0.00 0.00 175.55 170.09 3drx s LEU 91 N 0.47 4.46 -0.03 -1.29 1.43 -0.32 -0.67 118.68 122.73 3drx s LEU 91 Ca 0.70 1.11 -0.00 0.00 -1.03 0.00 0.00 54.13 54.90 3drx s LEU 91 Cb -0.48 -2.80 0.03 0.00 0.03 0.00 0.00 46.19 42.96 3drx s LEU 91 CO 0.39 0.21 0.02 -0.63 0.23 0.00 0.00 176.35 176.56 3drx s ILE 92 N -0.66 0.08 -1.39 -0.59 1.01 -0.72 -4.92 121.20 114.02 3drx s ILE 92 Ca 0.28 0.18 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 3drx s ILE 92 Cb -0.18 -0.22 0.08 0.00 0.01 0.00 0.00 42.46 42.15 3drx s ILE 92 CO 0.16 0.15 2.20 -0.67 0.00 0.00 0.00 174.94 176.77 3drx n ASP 93 N 4.43 5.45 -4.10 3.58 2.03 -1.26 0.28 116.55 126.96 3drx n ASP 93 Ca -0.21 -2.95 -0.10 0.00 0.52 0.00 0.00 54.79 52.04 3drx n ASP 93 Cb 0.50 -1.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.28 3drx n ASP 93 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3drx s ARG 94 N 1.43 1.15 -0.17 -0.67 1.81 -1.26 -4.92 118.95 116.31 3drx s ARG 94 Ca 0.48 -1.41 -0.28 0.00 -1.72 0.00 0.00 55.73 52.80 3drx s ARG 94 Cb 0.13 0.31 -0.01 0.00 -0.45 0.00 0.00 34.95 34.94 3drx s ARG 94 CO -0.05 -0.39 0.97 0.34 -0.68 0.00 0.00 175.30 175.49 3drx s ASP 95 N -3.06 7.11 0.26 0.23 -1.08 -1.26 -2.65 116.67 116.21 3drx s ASP 95 Ca 0.27 1.37 0.00 0.00 -0.52 0.00 0.00 52.55 53.67 3drx s ASP 95 Cb 0.05 -2.52 0.34 0.00 -1.46 0.00 0.00 42.92 39.33 3drx s ASP 95 CO 0.05 -0.51 1.69 1.55 0.52 0.00 0.00 175.17 178.47 3drx h PRO 96 N 7.30 0.56 -0.08 4.34 0.13 -1.88 -3.23 132.00 139.13 3drx h PRO 96 Ca -0.26 -0.22 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3drx h PRO 96 Cb 1.11 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3drx h PRO 96 CO 0.89 0.77 0.16 1.79 -0.23 0.00 0.00 178.00 181.38 3drx h THR 97 N 0.49 0.25 -0.31 1.56 1.35 -1.92 0.52 112.91 114.85 3drx h THR 97 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 3drx h THR 97 Cb 0.70 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 3drx h THR 97 CO 0.05 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.10 3drx n TYR 98 N -3.42 0.40 0.02 4.73 4.02 -1.22 -4.52 117.16 117.17 3drx n TYR 98 Ca -0.01 -0.26 -0.18 0.00 -0.01 0.00 0.00 57.90 57.44 3drx n TYR 98 Cb 0.25 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.43 3drx n TYR 98 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3drx h PHE 99 N 3.47 0.42 0.00 -0.72 -0.00 -0.07 -3.37 116.94 116.67 3drx h PHE 99 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.97 57.67 3drx h PHE 99 Cb 0.83 -0.02 0.00 0.00 -0.00 0.00 0.00 35.95 36.75 3drx h PHE 99 CO 0.20 1.21 0.00 0.41 -0.00 0.00 0.00 178.31 180.13 3drx n GLY 100 N 1.57 -1.71 0.32 2.40 0.00 -1.24 0.42 105.19 106.95 3drx n GLY 100 Ca -0.12 0.32 0.19 0.00 0.00 0.00 0.00 46.02 46.41 3drx n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3drx h PRO 101 N 0.00 0.22 0.31 1.61 0.11 -1.79 0.21 132.00 132.66 3drx h PRO 101 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3drx h PRO 101 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3drx h PRO 101 CO 0.00 0.14 -0.15 0.28 -0.21 0.00 0.00 178.00 178.07 3drx h VAL 102 N 0.22 0.00 -0.90 3.15 2.07 -0.20 -1.48 116.25 119.12 3drx h VAL 102 Ca 0.66 -0.02 0.20 0.00 0.82 0.00 0.00 66.70 68.36 3drx h VAL 102 Cb 1.46 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 3drx h VAL 102 CO -0.67 0.00 0.59 0.25 0.02 0.00 0.00 177.57 177.77 3drx h LEU 103 N -0.43 0.42 -0.29 2.57 5.85 0.09 0.46 115.31 123.98 3drx h LEU 103 Ca -0.04 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3drx h LEU 103 Cb 0.32 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3drx h LEU 103 CO 0.07 0.17 0.18 0.78 -0.34 0.00 0.00 178.44 179.30 3drx h ASN 104 N 0.42 0.34 -0.97 1.25 2.35 -0.60 -0.84 115.58 117.54 3drx h ASN 104 Ca 0.47 -0.04 0.11 0.00 -0.55 0.00 0.00 56.30 56.29 3drx h ASN 104 Cb 1.14 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 39.35 3drx h ASN 104 CO -0.18 0.28 0.62 0.22 -1.65 0.00 0.00 177.43 176.72 3drx h TYR 105 N 0.38 1.09 -0.07 1.19 3.20 0.10 0.39 116.97 123.25 3drx h TYR 105 Ca 0.10 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 3drx h TYR 105 Cb -0.00 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 3drx h TYR 105 CO -0.05 0.47 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.72 3drx h LEU 106 N 0.98 0.10 -0.03 2.82 3.38 -0.71 0.21 115.31 122.07 3drx h LEU 106 Ca 0.46 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.24 3drx h LEU 106 Cb 0.43 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3drx h LEU 106 CO -0.22 0.27 -0.68 0.03 0.09 0.00 0.00 178.44 177.92 3drx h ARG 107 N 0.10 0.51 0.00 1.13 3.08 0.11 -3.42 114.38 115.89 3drx h ARG 107 Ca 0.02 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3drx h ARG 107 Cb 0.33 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3drx h ARG 107 CO 0.02 1.15 -0.46 -2.39 -1.07 0.00 0.00 179.97 177.21 3drx n HIS 108 N -4.14 0.00 -0.01 3.04 1.44 -0.52 -5.05 115.22 109.98 3drx n HIS 108 Ca -0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 3drx n HIS 108 Cb 0.70 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.81 3drx n HIS 108 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3drx n GLY 109 N 1.21 0.40 3.92 -1.39 0.00 0.73 -5.06 105.19 105.00 3drx n GLY 109 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3drx n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3drx s LYS 110 N -0.99 3.47 -0.34 1.61 -0.14 -1.26 -4.97 119.74 117.11 3drx s LYS 110 Ca 0.00 -0.38 -0.21 0.00 -1.36 0.00 0.00 55.97 54.03 3drx s LYS 110 Cb 0.00 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 3drx s LYS 110 CO 0.00 0.60 0.66 -1.17 -0.76 0.00 0.00 175.35 174.67 3drx s LEU 111 N -2.48 4.21 -0.10 3.17 2.96 -1.26 -4.01 118.68 121.17 3drx s LEU 111 Ca 0.35 0.24 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 3drx s LEU 111 Cb -0.13 -2.83 0.02 0.00 0.50 0.00 0.00 46.19 43.75 3drx s LEU 111 CO 0.27 -0.59 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.89 3drx s VAL 112 N 2.74 1.31 0.04 1.68 1.01 -1.26 -5.12 120.40 120.79 3drx s VAL 112 Ca 0.26 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3drx s VAL 112 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3drx s VAL 112 CO 0.14 0.40 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 3drx s ILE 113 N 1.08 0.96 0.82 2.22 1.01 -1.26 -4.51 121.20 121.52 3drx s ILE 113 Ca -0.06 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 3drx s ILE 113 Cb -0.15 -0.89 0.10 0.00 0.01 0.00 0.00 42.46 41.54 3drx s ILE 113 CO -0.02 -0.04 1.18 0.20 0.00 0.00 0.00 174.94 176.26 3drx s ASN 114 N -1.11 4.26 0.10 3.58 -0.87 -1.26 -5.00 114.94 114.64 3drx s ASN 114 Ca -0.00 0.61 -0.13 0.00 -1.57 0.00 0.00 52.86 51.77 3drx s ASN 114 Cb -0.08 -1.03 -0.16 0.00 -0.02 0.00 0.00 41.25 39.97 3drx s ASN 114 CO 0.01 -2.03 1.29 0.11 -2.57 0.00 0.00 177.10 173.91 3drx h LYS 115 N -1.10 0.79 -0.15 -0.60 1.57 -2.05 -3.23 116.57 111.80 3drx h LYS 115 Ca -0.45 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 57.66 3drx h LYS 115 Cb 1.31 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3drx h LYS 115 CO 0.59 1.27 0.00 -0.40 -0.57 0.00 0.00 179.45 180.34 3drx n ASP 116 N -3.93 0.62 -4.58 0.86 3.85 -1.26 -4.82 116.55 107.30 3drx n ASP 116 Ca -0.08 -2.01 -0.34 0.00 -0.71 0.00 0.00 54.79 51.65 3drx n ASP 116 Cb 0.76 -0.10 -0.11 0.00 -1.35 0.00 0.00 41.12 40.33 3drx n ASP 116 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3drx s LEU 117 N -0.96 3.39 -0.11 -2.12 2.96 -1.22 -5.09 118.68 115.53 3drx s LEU 117 Ca 0.07 -0.01 -0.29 0.00 -0.22 0.00 0.00 54.13 53.68 3drx s LEU 117 Cb 0.04 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.92 3drx s LEU 117 CO 0.05 0.26 1.00 0.00 -1.32 0.00 0.00 176.35 176.34 3drx s ALA 118 N -0.18 3.41 -0.20 5.97 0.00 -1.26 -4.91 121.76 124.58 3drx s ALA 118 Ca 0.04 0.37 0.29 0.00 0.00 0.00 0.00 51.96 52.66 3drx s ALA 118 Cb -0.13 -3.43 1.12 0.00 0.00 0.00 0.00 23.12 20.68 3drx s ALA 118 CO 0.02 -0.61 1.85 1.05 0.00 0.00 0.00 175.76 178.07 3drx h GLU 119 N 7.10 0.00 -0.61 0.00 9.09 -1.98 -2.31 114.58 125.89 3drx h GLU 119 Ca -0.31 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.13 3drx h GLU 119 Cb 1.15 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.21 3drx h GLU 119 CO 0.86 0.00 0.38 0.93 0.05 0.00 0.00 179.01 181.22 3drx h GLU 120 N 0.00 0.73 -0.51 1.06 3.07 -1.96 0.78 114.58 117.74 3drx h GLU 120 Ca 0.00 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3drx h GLU 120 Cb 0.51 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3drx h GLU 120 CO 0.00 0.48 0.25 0.78 -1.40 0.00 0.00 179.01 179.12 3drx h GLY 121 N 0.75 0.79 0.97 -3.84 0.00 -1.83 -2.28 103.07 97.63 3drx h GLY 121 Ca 0.24 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 3drx h GLY 121 CO -0.09 0.37 0.08 -2.08 0.00 0.00 0.00 176.54 174.81 3drx h VAL 122 N 0.68 1.25 -0.71 4.60 2.07 -1.25 -2.83 116.25 120.07 3drx h VAL 122 Ca 0.18 -0.90 0.13 0.00 0.82 0.00 0.00 66.70 66.93 3drx h VAL 122 Cb 0.11 0.95 -0.09 0.00 -1.52 0.00 0.00 31.29 30.73 3drx h VAL 122 CO -0.02 0.32 0.25 0.25 0.02 0.00 0.00 177.57 178.39 3drx h LEU 123 N 0.62 0.20 0.43 2.57 5.85 0.73 -0.39 115.31 125.33 3drx h LEU 123 Ca 0.14 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3drx h LEU 123 Cb 0.38 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3drx h LEU 123 CO 0.01 0.08 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.41 3drx h GLU 124 N 0.40 -0.85 -0.47 1.25 4.39 -1.16 -1.48 114.58 116.67 3drx h GLU 124 Ca 0.38 0.06 0.01 0.00 0.34 0.00 0.00 59.36 60.15 3drx h GLU 124 Cb 0.57 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 3drx h GLU 124 CO -0.40 -0.56 0.31 0.93 -1.16 0.00 0.00 179.01 178.13 3drx h GLU 125 N -0.88 0.58 -0.90 2.33 4.39 -1.40 0.49 114.58 119.19 3drx h GLU 125 Ca -0.05 -0.04 0.09 0.00 0.34 0.00 0.00 59.36 59.70 3drx h GLU 125 Cb 0.76 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 3drx h GLU 125 CO -0.06 0.39 0.58 0.00 -1.16 0.00 0.00 179.01 178.75 3drx h ALA 126 N 1.72 1.59 0.10 3.43 0.00 -0.70 -0.45 119.26 124.96 3drx h ALA 126 Ca 0.18 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 3drx h ALA 126 Cb -0.02 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3drx h ALA 126 CO -0.04 0.24 -1.17 0.93 0.00 0.00 0.00 179.25 179.20 3drx h GLU 127 N 0.93 0.33 -0.07 0.00 5.08 0.89 -2.06 114.58 119.69 3drx h GLU 127 Ca 0.41 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3drx h GLU 127 Cb 0.35 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3drx h GLU 127 CO -0.17 1.21 0.01 0.35 -1.00 0.00 0.00 179.01 179.40 3drx h PHE 128 N 0.13 0.13 0.00 4.33 3.57 0.04 -2.19 116.94 122.95 3drx h PHE 128 Ca -0.13 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.35 3drx h PHE 128 Cb 1.87 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.58 3drx h PHE 128 CO 0.07 0.36 0.00 1.88 -2.23 0.00 0.00 178.31 178.39 3drx h TYR 129 N -0.13 0.00 -4.78 0.41 -1.99 -1.24 -3.48 116.97 105.76 3drx h TYR 129 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3drx h TYR 129 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 3drx h TYR 129 CO 0.02 0.00 -0.12 -1.71 -0.00 0.00 0.00 178.16 176.35 3drx n ASN 130 N -2.41 -6.45 -3.87 3.88 2.85 -0.82 -3.67 115.26 104.77 3drx n ASN 130 Ca 0.03 0.09 -0.29 0.00 -0.11 0.00 0.00 54.58 54.30 3drx n ASN 130 Cb 0.33 -4.30 -0.13 0.00 1.24 0.00 0.00 39.78 36.91 3drx n ASN 130 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3drx s ILE 131 N -2.76 2.35 0.09 -1.44 1.01 -0.90 -3.75 121.20 115.79 3drx s ILE 131 Ca 0.06 -3.41 -0.17 0.00 0.00 0.00 0.00 60.65 57.13 3drx s ILE 131 Cb -0.02 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3drx s ILE 131 CO 0.57 -0.89 1.15 0.35 0.00 0.00 0.00 174.94 176.12 3drx n THR 132 N 2.87 -0.38 -0.35 2.92 -2.24 -1.26 -0.42 114.28 115.42 3drx n THR 132 Ca 0.11 1.78 0.23 0.00 -2.27 0.00 0.00 64.05 63.90 3drx n THR 132 Cb 0.34 -2.24 0.48 0.00 -2.10 0.00 0.00 70.33 66.80 3drx n THR 132 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3drx h SER 133 N 0.00 0.52 0.30 3.42 4.64 -1.99 -0.11 113.55 120.33 3drx h SER 133 Ca 0.09 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3drx h SER 133 Cb 0.23 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3drx h SER 133 CO -0.53 0.03 -0.14 0.25 -0.87 0.00 0.00 176.83 175.57 3drx h LEU 134 N 0.41 -0.34 -1.00 5.97 5.85 -1.14 -2.93 115.31 122.13 3drx h LEU 134 Ca 0.66 -0.05 0.38 0.00 0.84 0.00 0.00 57.88 59.71 3drx h LEU 134 Cb 1.55 0.09 -0.17 0.00 0.37 0.00 0.00 40.66 42.50 3drx h LEU 134 CO -0.42 0.13 0.53 0.40 -0.34 0.00 0.00 178.44 178.74 3drx h ILE 135 N -1.08 0.11 0.48 4.05 2.04 -0.62 0.22 117.51 122.72 3drx h ILE 135 Ca -0.04 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3drx h ILE 135 Cb 0.37 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3drx h ILE 135 CO 0.07 0.02 -0.48 0.50 0.00 0.00 0.00 178.15 178.26 3drx h LYS 136 N 0.12 -0.93 0.00 2.37 3.64 -1.02 -2.69 116.57 118.06 3drx h LYS 136 Ca 0.80 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 60.22 3drx h LYS 136 Cb 2.00 0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 34.02 3drx h LYS 136 CO -0.71 -0.62 -0.10 -0.07 -2.27 0.00 0.00 179.45 175.68 3drx h LEU 137 N -0.96 0.00 -0.77 5.20 3.38 -0.45 -2.35 115.31 119.36 3drx h LEU 137 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3drx h LEU 137 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3drx h LEU 137 CO -0.06 0.10 -0.39 0.58 0.09 0.00 0.00 178.44 178.77 3drx h VAL 138 N 0.00 1.30 -0.08 1.22 2.07 -0.94 -2.61 116.25 117.21 3drx h VAL 138 Ca -0.00 -1.52 -0.15 0.00 0.82 0.00 0.00 66.70 65.84 3drx h VAL 138 Cb 0.18 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3drx h VAL 138 CO 0.01 0.47 -0.62 0.11 0.02 0.00 0.00 177.57 177.57 3drx h LYS 139 N 0.40 0.28 -0.33 1.57 1.57 -1.10 -2.34 116.57 116.62 3drx h LYS 139 Ca 0.04 -0.20 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3drx h LYS 139 Cb 0.85 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 3drx h LYS 139 CO 0.07 0.81 0.12 -0.44 -0.57 0.00 0.00 179.45 179.44 3drx h ASP 140 N 0.20 0.13 -0.82 0.86 3.32 -1.38 -1.72 116.42 117.02 3drx h ASP 140 Ca -0.01 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3drx h ASP 140 Cb 1.14 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 3drx h ASP 140 CO 0.10 0.11 0.49 0.50 -1.72 0.00 0.00 179.24 178.72 3drx h LYS 141 N 0.27 1.12 0.42 3.56 1.63 -1.16 0.14 116.57 122.55 3drx h LYS 141 Ca 0.15 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3drx h LYS 141 Cb 0.12 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3drx h LYS 141 CO -0.15 0.79 -0.20 0.82 -3.45 0.00 0.00 179.45 177.25 3drx h ILE 142 N 1.13 0.38 -0.71 2.00 2.04 -1.25 -2.93 117.51 118.17 3drx h ILE 142 Ca 0.29 -0.59 0.14 0.00 1.00 0.00 0.00 64.86 65.70 3drx h ILE 142 Cb -0.04 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 3drx h ILE 142 CO -0.05 0.07 0.47 0.03 0.00 0.00 0.00 178.15 178.67 3drx h ARG 143 N -0.99 0.38 -0.20 2.37 3.08 -1.17 -0.09 114.38 117.77 3drx h ARG 143 Ca -0.06 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3drx h ARG 143 Cb 0.55 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3drx h ARG 143 CO 0.09 0.25 0.11 1.49 -1.07 0.00 0.00 179.97 180.85 3drx h GLU 144 N 0.39 0.27 -0.07 0.04 4.81 -0.73 -3.00 114.58 116.30 3drx h GLU 144 Ca 0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3drx h GLU 144 Cb 0.79 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3drx h GLU 144 CO -0.10 0.25 0.00 2.89 -0.73 0.00 0.00 179.01 181.32 3drx n ARG 145 N -4.90 1.72 -0.06 1.92 -4.01 -0.44 -3.02 116.66 107.87 3drx n ARG 145 Ca -0.04 -1.06 -0.17 0.00 -1.04 0.00 0.00 57.85 55.54 3drx n ARG 145 Cb 0.06 -1.45 -0.13 0.00 -3.04 0.00 0.00 32.46 27.90 3drx n ARG 145 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 3drx h ASP 146 N 2.42 0.09 0.55 2.89 3.45 -0.94 -2.77 116.42 122.11 3drx h ASP 146 Ca 0.00 -0.86 -0.03 0.00 0.43 0.00 0.00 57.03 56.56 3drx h ASP 146 Cb 0.52 -0.03 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3drx h ASP 146 CO 0.00 1.22 -0.17 0.77 -1.57 0.00 0.00 179.24 179.50 3drx h SER 147 N -0.86 0.00 0.27 6.45 4.64 -1.60 -2.41 113.55 120.03 3drx h SER 147 Ca -0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3drx h SER 147 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3drx h SER 147 CO -0.03 0.17 -0.13 0.50 -0.87 0.00 0.00 176.83 176.47 3drx h LYS 148 N 0.00 -0.35 -0.64 4.77 3.64 -1.65 -3.34 116.57 119.00 3drx h LYS 148 Ca -0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3drx h LYS 148 Cb 0.48 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 3drx h LYS 148 CO 0.02 -0.11 -0.38 2.41 -2.27 0.00 0.00 179.45 179.12 3drx n THR 149 N -5.02 -0.43 -3.71 1.00 -1.04 -1.04 -4.02 114.28 100.01 3drx n THR 149 Ca -0.06 2.08 -0.37 0.00 -2.04 0.00 0.00 64.05 63.65 3drx n THR 149 Cb 0.21 -2.62 -0.10 0.00 -1.82 0.00 0.00 70.33 66.00 3drx n THR 149 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3drx s SER 150 N -4.61 5.34 -0.01 8.00 0.01 -0.92 -5.05 113.70 116.46 3drx s SER 150 Ca -0.08 -2.53 0.02 0.00 1.31 0.00 0.00 55.95 54.68 3drx s SER 150 Cb 0.07 -1.87 -0.00 0.00 0.21 0.00 0.00 66.02 64.43 3drx s SER 150 CO 0.40 -0.46 -0.08 -1.58 0.41 0.00 0.00 173.24 171.93 3drx s GLN 151 N 0.42 0.71 0.32 12.44 -0.44 -1.25 -4.70 119.66 127.16 3drx s GLN 151 Ca 0.13 -0.27 -0.29 0.00 -2.50 0.00 0.00 55.36 52.43 3drx s GLN 151 Cb -0.21 -0.68 -0.12 0.00 -1.64 0.00 0.00 33.01 30.36 3drx s GLN 151 CO -0.04 0.14 1.48 0.28 0.50 0.00 0.00 175.29 177.65 3drx n VAL 152 N 3.06 1.53 -0.83 1.34 0.31 -1.26 -5.00 118.33 117.48 3drx n VAL 152 Ca -0.15 -0.38 -0.28 0.00 -0.01 0.00 0.00 64.34 63.52 3drx n VAL 152 Cb 0.56 -1.83 0.07 0.00 -0.91 0.00 0.00 33.84 31.73 3drx n VAL 152 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3drx n PRO 153 N 1.26 -0.62 -3.59 5.55 -0.02 -1.26 -4.92 135.00 131.39 3drx n PRO 153 Ca 0.06 -0.18 -0.36 0.00 -2.02 0.00 0.00 63.50 60.99 3drx n PRO 153 Cb 0.37 -1.20 -0.08 0.00 -0.02 0.00 0.00 33.50 32.57 3drx n PRO 153 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3drx s VAL 154 N -2.05 5.33 0.74 -1.45 -7.23 -1.26 -5.09 120.40 109.39 3drx s VAL 154 Ca 0.33 0.39 -0.12 0.00 -1.81 0.00 0.00 61.98 60.78 3drx s VAL 154 Cb 0.02 -3.57 0.04 0.00 0.56 0.00 0.00 36.38 33.43 3drx s VAL 154 CO 0.49 0.37 1.11 -1.59 -0.31 0.00 0.00 175.10 175.18 3drx s LYS 155 N 0.71 2.56 0.09 4.82 0.00 -1.26 -4.96 119.74 121.70 3drx s LYS 155 Ca 0.13 0.42 -0.00 0.00 0.00 0.00 0.00 55.97 56.51 3drx s LYS 155 Cb -0.13 -1.99 -0.04 0.00 0.00 0.00 0.00 37.83 35.67 3drx s LYS 155 CO 0.03 -1.24 -0.01 -1.01 0.00 0.00 0.00 175.35 173.12 3drx s HIS 156 N -3.37 0.71 -0.05 1.78 3.76 -1.26 -2.72 115.29 114.14 3drx s HIS 156 Ca 0.59 -1.09 0.05 0.00 -0.15 0.00 0.00 55.06 54.46 3drx s HIS 156 Cb -0.12 -0.45 -0.01 0.00 1.11 0.00 0.00 32.58 33.12 3drx s HIS 156 CO 0.52 -0.38 -0.21 0.08 -0.85 0.00 0.00 174.74 173.90 3drx s VAL 157 N -3.90 1.74 0.03 -0.90 1.01 -0.58 -4.97 120.40 112.83 3drx s VAL 157 Ca 0.14 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3drx s VAL 157 Cb 0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3drx s VAL 157 CO -0.05 0.49 -0.22 -0.31 0.00 0.00 0.00 175.10 175.01 3drx s TYR 158 N -0.05 1.94 0.01 5.22 2.02 -1.26 -1.15 117.35 124.07 3drx s TYR 158 Ca -0.04 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 3drx s TYR 158 Cb -0.13 -1.18 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 3drx s TYR 158 CO 0.03 0.07 -0.02 1.03 -1.57 0.00 0.00 175.55 175.09 3drx s ARG 159 N -1.03 0.19 -0.35 -0.62 1.81 0.71 -4.98 118.95 114.67 3drx s ARG 159 Ca 0.08 -0.24 -0.04 0.00 -1.72 0.00 0.00 55.73 53.81 3drx s ARG 159 Cb -0.09 -0.06 0.06 0.00 -0.45 0.00 0.00 34.95 34.41 3drx s ARG 159 CO 0.01 0.01 0.11 0.08 -0.68 0.00 0.00 175.30 174.83 3drx s VAL 160 N -0.49 3.46 0.43 3.52 1.01 -1.26 -0.90 120.40 126.17 3drx s VAL 160 Ca -0.04 -1.46 -0.00 0.00 0.00 0.00 0.00 61.98 60.47 3drx s VAL 160 Cb -0.04 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3drx s VAL 160 CO -0.00 -0.31 0.65 -0.76 0.00 0.00 0.00 175.10 174.68 3drx s LEU 161 N 1.29 3.73 0.03 3.92 1.02 -0.37 -4.88 118.68 123.43 3drx s LEU 161 Ca 0.00 0.38 0.06 0.00 0.02 0.00 0.00 54.13 54.59 3drx s LEU 161 Cb -0.21 -3.26 -0.02 0.00 0.02 0.00 0.00 46.19 42.72 3drx s LEU 161 CO -0.00 -0.59 -0.18 0.00 0.02 0.00 0.00 176.35 175.60 3drx s GLN 162 N -4.52 1.22 -0.03 1.70 -2.07 -1.26 0.39 119.66 115.09 3drx s GLN 162 Ca 0.46 -0.81 -0.20 0.00 -1.82 0.00 0.00 55.36 52.99 3drx s GLN 162 Cb -0.10 -1.27 0.04 0.00 -1.09 0.00 0.00 33.01 30.59 3drx s GLN 162 CO 0.38 0.33 0.43 0.00 -1.32 0.00 0.00 175.29 175.11 3drx n GLN 164 N 1.25 1.53 -0.21 0.00 1.13 -1.26 -2.42 117.38 117.40 3drx n GLN 164 Ca -0.20 0.57 0.02 0.00 -1.94 0.00 0.00 57.00 55.44 3drx n GLN 164 Cb 0.56 -2.48 0.12 0.00 0.11 0.00 0.00 30.24 28.56 3drx n GLN 164 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3drx h GLU 165 N 1.27 0.19 0.30 -1.09 4.22 -1.93 -2.17 114.58 115.37 3drx h GLU 165 Ca -0.50 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 58.92 3drx h GLU 165 Cb 1.32 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 3drx h GLU 165 CO 0.56 0.13 -0.22 1.05 -2.18 0.00 0.00 179.01 178.35 3drx h GLU 166 N 0.20 -0.50 0.00 1.92 4.11 -1.96 -3.00 114.58 115.35 3drx h GLU 166 Ca 0.34 0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.80 3drx h GLU 166 Cb 0.54 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3drx h GLU 166 CO -0.48 -0.33 0.00 -0.85 0.07 0.00 0.00 179.01 177.42 3drx n GLU 167 N -5.35 0.81 -0.24 1.06 0.28 -0.87 -3.85 120.64 112.48 3drx n GLU 167 Ca -0.09 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.83 3drx n GLU 167 Cb 0.25 -1.28 0.05 0.00 1.43 0.00 0.00 31.44 31.90 3drx n GLU 167 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3drx h LEU 168 N 0.00 1.07 -0.30 -1.84 7.12 -1.27 -1.15 115.31 118.94 3drx h LEU 168 Ca 0.00 -0.25 -0.03 0.00 0.13 0.00 0.00 57.88 57.73 3drx h LEU 168 Cb 0.00 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.84 3drx h LEU 168 CO 0.00 1.05 0.08 0.74 -0.13 0.00 0.00 178.44 180.17 3drx h THR 169 N 1.05 1.21 -0.20 1.05 2.02 -1.80 -2.85 112.91 113.39 3drx h THR 169 Ca 0.21 -0.70 0.05 0.00 0.77 0.00 0.00 66.41 66.74 3drx h THR 169 Cb 0.43 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.89 3drx h THR 169 CO 0.01 0.23 -0.17 -0.61 0.37 0.00 0.00 175.52 175.35 3drx h GLN 170 N 0.32 -0.18 0.10 6.66 5.75 -1.78 -0.85 115.11 125.14 3drx h GLN 170 Ca 0.09 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3drx h GLN 170 Cb 0.28 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 3drx h GLN 170 CO -0.00 -0.12 -0.38 1.98 -2.65 0.00 0.00 178.83 177.66 3drx h MET 171 N -0.18 -0.58 0.00 1.69 4.05 -1.10 -1.74 114.93 117.07 3drx h MET 171 Ca 0.12 0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 3drx h MET 171 Cb 0.37 0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3drx h MET 171 CO -0.31 -0.39 -0.38 -0.39 0.23 0.00 0.00 176.91 175.66 3drx h VAL 172 N -0.61 0.88 0.00 -5.77 -1.51 -1.41 -2.92 116.25 104.92 3drx h VAL 172 Ca 0.03 -1.55 -0.05 0.00 -1.23 0.00 0.00 66.70 63.90 3drx h VAL 172 Cb 0.64 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.75 3drx h VAL 172 CO -0.24 0.37 -0.22 -1.28 -1.23 0.00 0.00 177.57 174.98 3drx h SER 173 N 0.00 0.00 0.00 4.19 0.87 -0.51 -3.29 113.55 114.81 3drx h SER 173 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3drx h SER 173 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 3drx h SER 173 CO 0.05 0.22 -0.07 0.35 -0.53 0.00 0.00 176.83 176.85 3drx n THR 174 N -3.52 0.98 -1.27 2.23 -2.24 -0.71 -5.05 114.28 104.70 3drx n THR 174 Ca -0.01 -1.10 -0.38 0.00 -2.27 0.00 0.00 64.05 60.29 3drx n THR 174 Cb 0.38 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.98 3drx n THR 174 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3drx n MET 175 N -0.65 0.15 -1.45 -0.78 1.56 -1.12 -4.94 117.12 109.89 3drx n MET 175 Ca 0.05 0.06 -0.30 0.00 -0.27 0.00 0.00 57.70 57.24 3drx n MET 175 Cb 0.48 -1.26 0.22 0.00 2.15 0.00 0.00 33.22 34.81 3drx n MET 175 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3drx s SER 176 N -1.10 1.75 0.40 6.12 0.15 -1.26 -4.91 113.70 114.85 3drx s SER 176 Ca 0.59 0.42 0.15 0.00 0.70 0.00 0.00 55.95 57.81 3drx s SER 176 Cb -0.43 -0.54 1.02 0.00 -1.71 0.00 0.00 66.02 64.36 3drx s SER 176 CO 0.64 -3.59 1.87 -0.78 1.20 0.00 0.00 173.24 172.58 3drx h ASP 177 N -2.23 0.46 -0.20 5.45 -0.00 -2.04 -2.99 116.42 114.88 3drx h ASP 177 Ca -0.44 0.04 0.00 0.00 -0.00 0.00 0.00 57.03 56.63 3drx h ASP 177 Cb 1.26 -0.05 0.00 0.00 -0.00 0.00 0.00 39.33 40.54 3drx h ASP 177 CO 0.33 0.21 0.00 0.61 -0.00 0.00 0.00 179.24 180.39 3drx n GLY 178 N -1.49 1.15 3.90 -0.78 0.00 -1.26 -5.03 105.19 101.66 3drx n GLY 178 Ca 0.18 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3drx n GLY 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3drx s TRP 179 N -1.09 3.56 -0.06 1.61 0.52 -1.13 -4.41 118.94 117.93 3drx s TRP 179 Ca 0.22 0.44 -0.01 0.00 0.02 0.00 0.00 56.10 56.76 3drx s TRP 179 Cb 0.13 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.52 3drx s TRP 179 CO 0.18 0.62 0.02 0.15 0.02 0.00 0.00 176.95 177.94 3drx s LYS 180 N -1.92 2.97 0.14 4.98 -0.14 0.10 -4.91 119.74 120.97 3drx s LYS 180 Ca 0.28 -0.44 -0.30 0.00 -1.36 0.00 0.00 55.97 54.15 3drx s LYS 180 Cb -0.13 -2.80 -0.08 0.00 -1.68 0.00 0.00 37.83 33.15 3drx s LYS 180 CO 0.18 0.69 1.26 0.12 -0.76 0.00 0.00 175.35 176.84 3drx s PHE 181 N -0.96 3.36 -0.10 3.18 5.36 -1.26 -1.78 117.98 125.78 3drx s PHE 181 Ca 0.15 1.26 -0.09 0.00 -0.96 0.00 0.00 56.93 57.29 3drx s PHE 181 Cb -0.11 -3.51 -0.05 0.00 -0.34 0.00 0.00 43.02 39.00 3drx s PHE 181 CO 0.05 -1.60 -0.19 0.39 -1.46 0.00 0.00 175.22 172.40 3drx n GLU 182 N 3.16 0.30 -3.51 10.12 -0.58 -0.45 -4.92 120.64 124.77 3drx n GLU 182 Ca 0.07 0.13 -0.16 0.00 -0.42 0.00 0.00 57.16 56.78 3drx n GLU 182 Cb 0.44 -1.02 -0.05 0.00 -0.57 0.00 0.00 31.44 30.24 3drx n GLU 182 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3drx s GLN 183 N -2.39 1.05 0.02 3.49 0.74 -1.10 -4.99 119.66 116.48 3drx s GLN 183 Ca -0.18 0.13 0.06 0.00 0.05 0.00 0.00 55.36 55.42 3drx s GLN 183 Cb 0.05 0.50 -0.03 0.00 1.10 0.00 0.00 33.01 34.62 3drx s GLN 183 CO 0.25 -0.35 -0.16 -1.17 -0.55 0.00 0.00 175.29 173.31 3drx s LEU 184 N -1.44 2.69 -0.20 3.68 2.96 -1.26 -0.49 118.68 124.61 3drx s LEU 184 Ca -0.08 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3drx s LEU 184 Cb -0.00 -1.57 0.06 0.00 0.50 0.00 0.00 46.19 45.18 3drx s LEU 184 CO 0.06 0.28 0.02 -0.69 -1.32 0.00 0.00 176.35 174.69 3drx s VAL 185 N -0.89 0.75 0.40 1.68 1.01 0.40 -4.96 120.40 118.78 3drx s VAL 185 Ca 0.14 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.15 3drx s VAL 185 Cb -0.11 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.98 3drx s VAL 185 CO 0.05 -0.19 1.34 -0.55 0.00 0.00 0.00 175.10 175.75 3drx s SER 186 N 1.76 6.32 0.00 3.32 0.15 -1.26 -1.35 113.70 122.63 3drx s SER 186 Ca -0.02 2.75 0.00 0.00 0.70 0.00 0.00 55.95 59.38 3drx s SER 186 Cb -0.17 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 3drx s SER 186 CO -0.08 -0.85 0.00 0.00 1.20 0.00 0.00 173.24 173.51 3drx n ILE 187 N 0.22 0.00 0.00 6.45 3.06 -0.50 -4.90 119.36 123.69 3drx n ILE 187 Ca 0.03 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.28 3drx n ILE 187 Cb 0.42 0.11 0.00 0.00 0.54 0.00 0.00 39.64 40.71 3drx n ILE 187 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3drx n GLY 188 N 0.00 1.55 0.00 4.50 0.00 -1.24 -5.01 105.19 105.00 3drx n GLY 188 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3drx n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3drx n SER 189 N 0.00 0.00 -0.20 1.61 3.41 -1.26 -4.98 113.62 112.20 3drx n SER 189 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 3drx n SER 189 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3drx n SER 189 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3drx n SER 190 N 0.00 -0.23 0.22 4.04 3.41 -1.26 0.63 113.62 120.43 3drx n SER 190 Ca 0.00 0.94 0.07 0.00 -0.26 0.00 0.00 58.87 59.62 3drx n SER 190 Cb 0.00 -0.27 0.49 0.00 -0.26 0.00 0.00 64.21 64.17 3drx n SER 190 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3drx h TYR 191 N 0.00 0.00 0.00 7.33 0.05 -2.06 -3.15 116.97 119.14 3drx h TYR 191 Ca 0.24 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.79 3drx h TYR 191 Cb 0.38 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.08 3drx h TYR 191 CO -0.43 0.27 -1.79 0.09 -1.05 0.00 0.00 178.16 175.25 3drx n ASN 192 N -3.76 0.56 -4.71 3.88 4.13 0.21 -4.91 115.26 110.67 3drx n ASN 192 Ca -0.01 0.26 -0.64 0.00 1.68 0.00 0.00 54.58 55.87 3drx n ASN 192 Cb 0.37 0.48 -0.09 0.00 -1.54 0.00 0.00 39.78 39.01 3drx n ASN 192 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3drx n TYR 193 N -2.84 1.84 0.00 3.10 9.36 -0.51 -0.55 117.16 127.57 3drx n TYR 193 Ca -0.17 0.89 0.00 0.00 3.32 0.00 0.00 57.90 61.94 3drx n TYR 193 Cb 0.95 -2.32 0.00 0.00 -0.63 0.00 0.00 39.34 37.34 3drx n TYR 193 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3drx n GLY 194 N 4.28 3.17 3.77 2.98 0.00 -1.26 -5.06 105.19 113.07 3drx n GLY 194 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 3drx n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3drx s ASN 195 N -1.22 4.47 -0.07 1.61 2.47 0.29 -5.01 114.94 117.48 3drx s ASN 195 Ca 0.00 1.83 -0.07 0.00 0.42 0.00 0.00 52.86 55.04 3drx s ASN 195 Cb 0.00 -2.52 -0.28 0.00 -1.45 0.00 0.00 41.25 37.00 3drx s ASN 195 CO 0.00 -2.06 0.59 1.05 -3.72 0.00 0.00 177.10 172.96 3drx h GLU 196 N -1.15 0.30 -0.65 0.43 4.11 -1.98 -3.16 114.58 112.49 3drx h GLU 196 Ca -0.44 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 58.47 3drx h GLU 196 Cb 1.23 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3drx h GLU 196 CO 0.51 1.20 0.00 -0.25 0.07 0.00 0.00 179.01 180.54 3drx n ASP 197 N -3.50 0.65 0.00 3.06 9.92 -1.26 -4.55 116.55 120.88 3drx n ASP 197 Ca -0.26 -1.66 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 3drx n ASP 197 Cb 1.06 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 3drx n ASP 197 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3drx n GLN 198 N -0.04 0.00 -0.05 -1.24 1.13 -1.19 -5.08 117.38 110.91 3drx n GLN 198 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3drx n GLN 198 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.51 3drx n GLN 198 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3drx n ALA 199 N -3.00 -0.09 -0.06 -1.58 0.00 -1.26 -5.07 120.51 109.44 3drx n ALA 199 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3drx n ALA 199 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 3drx n ALA 199 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3drx n GLU 200 N 0.76 1.76 -4.15 0.00 0.00 -1.18 -4.28 120.64 113.56 3drx n GLU 200 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 57.16 56.98 3drx n GLU 200 Cb 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 31.44 29.98 3drx n GLU 200 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3drx s PHE 201 N -2.36 1.06 -0.15 -1.84 0.40 -1.02 -1.41 117.98 112.67 3drx s PHE 201 Ca -0.06 -0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 3drx s PHE 201 Cb 0.04 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 42.94 3drx s PHE 201 CO 0.55 0.02 -0.03 -0.51 0.70 0.00 0.00 175.22 175.95 3drx s LEU 202 N -1.81 3.33 -0.25 -0.37 1.43 -0.46 -1.60 118.68 118.95 3drx s LEU 202 Ca -0.03 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 3drx s LEU 202 Cb -0.09 -1.80 0.05 0.00 0.03 0.00 0.00 46.19 44.39 3drx s LEU 202 CO 0.02 0.20 -0.11 0.00 0.23 0.00 0.00 176.35 176.68 3drx s VAL 204 N 1.14 4.20 -0.06 0.00 1.01 0.35 -1.23 120.40 125.81 3drx s VAL 204 Ca -0.07 1.89 -0.16 0.00 0.00 0.00 0.00 61.98 63.64 3drx s VAL 204 Cb -0.19 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.04 3drx s VAL 204 CO -0.06 0.39 0.37 0.54 0.00 0.00 0.00 175.10 176.35 3drx s VAL 205 N -1.31 0.03 0.07 2.92 0.11 -0.07 -1.34 120.40 120.81 3drx s VAL 205 Ca 0.42 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 59.17 3drx s VAL 205 Cb -0.23 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3drx s VAL 205 CO 0.28 -0.16 0.02 -0.94 -3.33 0.00 0.00 175.10 170.98 3drx s SER 206 N -0.85 0.40 -0.13 3.54 1.04 -0.74 -0.21 113.70 116.76 3drx s SER 206 Ca -0.09 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.31 3drx s SER 206 Cb -0.04 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.37 3drx s SER 206 CO 0.04 -0.64 0.30 -0.75 0.98 0.00 0.00 173.24 173.16 3drx s LYS 207 N -3.93 0.25 0.58 4.02 2.20 -0.30 -0.72 119.74 121.84 3drx s LYS 207 Ca 0.09 0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 56.18 3drx s LYS 207 Cb 0.07 -0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.29 3drx s LYS 207 CO -0.09 -0.19 1.10 -1.21 -0.36 0.00 0.00 175.35 174.61 3drx s GLU 208 N 1.56 3.23 -0.07 4.03 2.02 -1.26 -1.53 118.70 126.69 3drx s GLU 208 Ca -0.07 1.45 0.05 0.00 0.02 0.00 0.00 54.97 56.41 3drx s GLU 208 Cb -0.10 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 3drx s GLU 208 CO -0.10 -0.91 -0.20 -0.51 0.02 0.00 0.00 175.26 173.55 3drx s LEU 209 N -4.20 2.34 0.19 1.80 1.43 -1.10 -4.94 118.68 114.20 3drx s LEU 209 Ca 0.69 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3drx s LEU 209 Cb -0.21 -1.46 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3drx s LEU 209 CO 0.32 0.26 -0.04 -1.00 0.23 0.00 0.00 176.35 176.12 3drx s HIS 210 N -0.24 1.41 -2.00 0.29 3.76 -1.26 -4.55 115.29 112.71 3drx s HIS 210 Ca -0.00 -0.87 0.21 0.00 -0.15 0.00 0.00 55.06 54.24 3drx s HIS 210 Cb -0.13 -0.78 1.23 0.00 1.11 0.00 0.00 32.58 34.00 3drx s HIS 210 CO 0.03 -0.01 1.61 -1.71 -0.85 0.00 0.00 174.74 173.81