#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kcm s GLU 28 N 0.00 4.02 -1.55 1.96 8.01 -1.26 -3.80 118.70 126.08 3kcm s GLU 28 Ca 0.00 1.21 -0.03 0.00 0.01 0.00 0.00 54.97 56.16 3kcm s GLU 28 Cb 0.00 -2.14 0.01 0.00 -4.31 0.00 0.00 34.13 27.69 3kcm s GLU 28 CO 0.00 -0.22 0.32 0.39 0.01 0.00 0.00 175.26 175.76 3kcm n GLU 29 N -0.87 -3.36 -3.73 1.61 -0.58 0.20 -4.95 120.64 108.96 3kcm n GLU 29 Ca 0.08 0.86 -0.14 0.00 -0.42 0.00 0.00 57.16 57.54 3kcm n GLU 29 Cb 0.53 -5.61 -0.09 0.00 -0.57 0.00 0.00 31.44 25.70 3kcm n GLU 29 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3kcm s ASN 30 N -2.41 -0.30 0.18 1.62 0.01 -1.25 -4.92 114.94 107.88 3kcm s ASN 30 Ca 0.18 0.36 -0.33 0.00 -0.71 0.00 0.00 52.86 52.35 3kcm s ASN 30 Cb -0.08 0.48 -0.13 0.00 0.41 0.00 0.00 41.25 41.93 3kcm s ASN 30 CO 0.22 -0.37 1.62 -2.65 -1.51 0.00 0.00 177.10 174.41 3kcm n PRO 31 N 1.72 2.37 -1.82 -0.60 -0.02 -1.26 -2.34 135.00 133.05 3kcm n PRO 31 Ca -0.19 0.85 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 3kcm n PRO 31 Cb 0.56 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3kcm n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kcm s ALA 32 N 0.92 3.83 0.34 3.55 0.00 0.74 -4.84 121.76 126.31 3kcm s ALA 32 Ca 0.77 1.51 -0.28 0.00 0.00 0.00 0.00 51.96 53.95 3kcm s ALA 32 Cb -0.61 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 18.75 3kcm s ALA 32 CO 0.37 -0.88 1.32 -2.14 0.00 0.00 0.00 175.76 174.43 3kcm s PRO 33 N 0.72 4.32 0.42 0.00 0.02 -1.26 -4.97 135.00 134.24 3kcm s PRO 33 Ca 0.70 2.24 -0.22 0.00 0.02 0.00 0.00 61.00 63.74 3kcm s PRO 33 Cb -0.47 -3.04 -0.10 0.00 0.02 0.00 0.00 34.50 30.90 3kcm s PRO 33 CO 0.36 -0.23 0.98 0.34 -0.33 0.00 0.00 177.00 178.11 3kcm s ASP 34 N -0.48 6.87 0.11 2.53 2.15 -1.26 -5.04 116.67 121.55 3kcm s ASP 34 Ca 0.50 1.80 -0.22 0.00 0.43 0.00 0.00 52.55 55.05 3kcm s ASP 34 Cb -0.40 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 39.72 3kcm s ASP 34 CO 0.53 -0.41 0.54 0.72 -0.17 0.00 0.00 175.17 176.39 3kcm s PHE 35 N -2.00 -0.45 -0.12 -5.34 -0.12 -1.26 -5.01 117.98 103.69 3kcm s PHE 35 Ca 0.61 0.33 0.03 0.00 -0.05 0.00 0.00 56.93 57.84 3kcm s PHE 35 Cb -0.13 0.43 0.01 0.00 -0.63 0.00 0.00 43.02 42.69 3kcm s PHE 35 CO 0.18 -0.75 -0.20 0.99 -0.05 0.00 0.00 175.22 175.39 3kcm s THR 36 N -3.23 1.84 -0.01 -4.49 2.01 -1.26 -1.34 115.64 109.17 3kcm s THR 36 Ca -0.01 -0.86 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 3kcm s THR 36 Cb -0.00 -1.64 -0.00 0.00 0.01 0.00 0.00 72.50 70.87 3kcm s THR 36 CO -0.08 0.51 0.04 -0.76 -0.69 0.00 0.00 174.62 173.63 3kcm s LEU 37 N 0.77 1.90 0.67 4.42 1.43 -0.06 -4.98 118.68 122.84 3kcm s LEU 37 Ca -0.09 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.75 3kcm s LEU 37 Cb -0.16 0.20 0.01 0.00 0.03 0.00 0.00 46.19 46.27 3kcm s LEU 37 CO 0.00 -0.13 1.18 0.20 0.23 0.00 0.00 176.35 177.84 3kcm s ASN 38 N -0.51 4.72 0.62 2.29 0.01 -1.26 -1.44 114.94 119.36 3kcm s ASN 38 Ca -0.06 2.28 0.07 0.00 -0.71 0.00 0.00 52.86 54.45 3kcm s ASN 38 Cb -0.04 -2.58 0.11 0.00 0.41 0.00 0.00 41.25 39.15 3kcm s ASN 38 CO -0.00 -1.91 0.86 0.41 -1.51 0.00 0.00 177.10 174.95 3kcm n THR 39 N -2.30 0.00 -0.20 1.60 -1.04 -0.59 -2.09 114.28 109.65 3kcm n THR 39 Ca 0.13 -1.88 -0.05 0.00 -2.04 0.00 0.00 64.05 60.21 3kcm n THR 39 Cb 0.50 -0.60 0.11 0.00 -1.82 0.00 0.00 70.33 68.53 3kcm n THR 39 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kcm h LEU 40 N 0.00 0.95 -3.83 -4.42 3.38 -1.90 -3.24 115.31 106.25 3kcm h LEU 40 Ca -0.29 -0.19 -0.51 0.00 0.09 0.00 0.00 57.88 56.98 3kcm h LEU 40 Cb 1.26 -0.25 -0.27 0.00 0.09 0.00 0.00 40.66 41.48 3kcm h LEU 40 CO 0.38 0.92 0.65 -0.46 0.09 0.00 0.00 178.44 180.03 3kcm n ASN 41 N -4.25 4.82 0.00 -0.43 0.23 -1.26 -4.93 115.26 109.44 3kcm n ASN 41 Ca 0.05 -3.51 0.00 0.00 -0.53 0.00 0.00 54.58 50.59 3kcm n ASN 41 Cb 0.25 -0.86 0.00 0.00 -2.08 0.00 0.00 39.78 37.08 3kcm n ASN 41 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kcm n GLY 42 N -0.89 1.68 3.80 4.83 0.00 -1.23 -5.02 105.19 108.36 3kcm n GLY 42 Ca 0.55 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 3kcm n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kcm s GLU 43 N -0.14 1.11 -0.02 1.61 2.12 -1.26 -4.84 118.70 117.29 3kcm s GLU 43 Ca 0.00 0.21 0.04 0.00 0.36 0.00 0.00 54.97 55.58 3kcm s GLU 43 Cb 0.00 -1.84 -0.01 0.00 0.26 0.00 0.00 34.13 32.54 3kcm s GLU 43 CO 0.00 -2.20 -0.14 0.08 -0.54 0.00 0.00 175.26 172.46 3kcm s VAL 44 N -3.34 1.10 -0.07 3.70 1.01 -1.26 -1.54 120.40 120.00 3kcm s VAL 44 Ca 0.64 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3kcm s VAL 44 Cb -0.13 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3kcm s VAL 44 CO 0.53 0.32 -0.20 -0.69 0.00 0.00 0.00 175.10 175.06 3kcm s VAL 45 N -0.19 2.52 -0.13 2.92 1.01 -0.52 -4.95 120.40 121.05 3kcm s VAL 45 Ca 0.03 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3kcm s VAL 45 Cb -0.07 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3kcm s VAL 45 CO -0.00 0.56 -0.15 -0.75 0.00 0.00 0.00 175.10 174.76 3kcm s LYS 46 N -0.17 3.32 0.17 2.72 2.20 -1.26 -0.88 119.74 125.84 3kcm s LYS 46 Ca -0.02 -0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 54.74 3kcm s LYS 46 Cb -0.14 -2.58 0.07 0.00 -1.51 0.00 0.00 37.83 33.68 3kcm s LYS 46 CO 0.04 0.20 1.72 1.25 -0.36 0.00 0.00 175.35 178.20 3kcm h LEU 47 N 6.74 0.80 -1.75 5.43 5.85 -1.60 -2.68 115.31 128.10 3kcm h LEU 47 Ca -0.25 -0.17 0.24 0.00 0.84 0.00 0.00 57.88 58.54 3kcm h LEU 47 Cb 1.22 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.99 3kcm h LEU 47 CO 0.54 0.76 0.62 0.28 -0.34 0.00 0.00 178.44 180.30 3kcm h SER 48 N 0.80 0.20 0.00 1.25 0.02 -1.97 -1.41 113.55 112.45 3kcm h SER 48 Ca 0.19 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3kcm h SER 48 Cb 0.20 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3kcm h SER 48 CO -0.02 0.07 0.00 0.47 -1.14 0.00 0.00 176.83 176.22 3kcm n ASP 49 N -4.40 0.00 -0.14 3.07 8.00 -1.01 -2.64 116.55 119.43 3kcm n ASP 49 Ca 0.19 -0.94 0.01 0.00 0.71 0.00 0.00 54.79 54.77 3kcm n ASP 49 Cb 0.84 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.96 3kcm n ASP 49 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kcm n LEU 50 N -0.68 1.59 -4.47 0.64 4.32 -0.53 -5.01 117.00 112.86 3kcm n LEU 50 Ca 0.05 -1.34 -0.44 0.00 -0.02 0.00 0.00 56.01 54.26 3kcm n LEU 50 Cb 0.02 -0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 3kcm n LEU 50 CO 0.04 0.38 0.16 0.29 -1.22 0.00 0.00 177.39 177.04 3kcm n LYS 51 N 0.03 0.62 -0.06 3.23 4.01 -1.08 -1.94 118.16 122.97 3kcm n LYS 51 Ca 0.02 0.22 0.00 0.00 -0.51 0.00 0.00 58.31 58.04 3kcm n LYS 51 Cb 0.15 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.22 3kcm n LYS 51 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kcm n GLY 52 N 1.71 1.40 3.34 0.72 0.00 0.26 -5.03 105.19 107.59 3kcm n GLY 52 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 3kcm n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kcm s GLN 53 N -0.50 1.27 0.09 1.61 -0.21 -0.82 -4.87 119.66 116.23 3kcm s GLN 53 Ca 0.00 -1.26 -0.22 0.00 0.02 0.00 0.00 55.36 53.90 3kcm s GLN 53 Cb 0.00 -1.65 -0.07 0.00 1.00 0.00 0.00 33.01 32.29 3kcm s GLN 53 CO 0.00 0.39 0.66 0.54 -2.12 0.00 0.00 175.29 174.75 3kcm s VAL 54 N -1.11 4.63 -0.05 1.09 0.11 -0.87 -3.73 120.40 120.48 3kcm s VAL 54 Ca 0.10 1.41 0.02 0.00 -2.93 0.00 0.00 61.98 60.59 3kcm s VAL 54 Cb -0.10 -4.00 0.01 0.00 -1.53 0.00 0.00 36.38 30.77 3kcm s VAL 54 CO 0.05 0.51 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.56 3kcm s VAL 55 N -0.93 0.80 -0.23 2.04 1.01 -0.54 -1.41 120.40 121.13 3kcm s VAL 55 Ca 0.32 -0.30 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 3kcm s VAL 55 Cb -0.21 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 3kcm s VAL 55 CO 0.21 0.27 0.37 -0.63 0.00 0.00 0.00 175.10 175.33 3kcm s ILE 56 N 0.63 5.20 -0.42 2.22 -1.09 -0.66 -1.17 121.20 125.91 3kcm s ILE 56 Ca -0.10 0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.87 3kcm s ILE 56 Cb -0.13 -3.70 0.10 0.00 -1.58 0.00 0.00 42.46 37.15 3kcm s ILE 56 CO 0.01 0.22 0.24 -0.69 -1.23 0.00 0.00 174.94 173.50 3kcm s VAL 57 N 1.61 3.74 -0.12 2.92 1.01 0.08 -0.48 120.40 129.17 3kcm s VAL 57 Ca 0.16 -1.78 -0.09 0.00 0.00 0.00 0.00 61.98 60.27 3kcm s VAL 57 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3kcm s VAL 57 CO 0.08 -0.63 0.20 0.21 0.00 0.00 0.00 175.10 174.96 3kcm s ASN 58 N 2.09 6.43 -0.14 3.32 2.47 0.63 -2.05 114.94 127.70 3kcm s ASN 58 Ca 0.05 0.51 -0.01 0.00 0.42 0.00 0.00 52.86 53.83 3kcm s ASN 58 Cb -0.24 -2.11 -0.02 0.00 -1.45 0.00 0.00 41.25 37.43 3kcm s ASN 58 CO -0.02 0.33 -0.09 -0.36 -3.72 0.00 0.00 177.10 173.24 3kcm s PHE 59 N -0.66 2.91 0.00 0.43 0.40 0.07 -0.52 117.98 120.60 3kcm s PHE 59 Ca 0.15 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 55.75 3kcm s PHE 59 Cb -0.13 -1.88 0.07 0.00 0.51 0.00 0.00 43.02 41.60 3kcm s PHE 59 CO 0.04 -0.10 0.68 1.67 0.70 0.00 0.00 175.22 178.22 3kcm s TRP 60 N 0.26 -0.60 0.18 0.36 1.48 -0.92 -2.62 118.94 117.08 3kcm s TRP 60 Ca -0.06 0.86 0.02 0.00 -1.06 0.00 0.00 56.10 55.85 3kcm s TRP 60 Cb -0.15 0.46 -0.05 0.00 -1.16 0.00 0.00 33.47 32.57 3kcm s TRP 60 CO 0.04 -0.66 0.01 0.00 -4.06 0.00 0.00 176.95 172.28 3kcm s ALA 61 N -1.93 1.41 0.30 2.67 0.00 -1.26 -2.75 121.76 120.21 3kcm s ALA 61 Ca -0.07 -1.62 0.12 0.00 0.00 0.00 0.00 51.96 50.39 3kcm s ALA 61 Cb -0.00 0.57 0.54 0.00 0.00 0.00 0.00 23.12 24.23 3kcm s ALA 61 CO 0.03 -0.32 1.71 1.79 0.00 0.00 0.00 175.76 178.97 3kcm h THR 62 N 2.66 1.31 -0.09 0.00 1.35 -1.99 -2.81 112.91 113.34 3kcm h THR 62 Ca -0.37 -1.72 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 3kcm h THR 62 Cb 1.21 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.57 3kcm h THR 62 CO 0.63 0.49 0.00 -2.67 -0.25 0.00 0.00 175.52 173.71 3kcm n TRP 63 N -3.89 0.11 -3.24 4.73 4.27 -1.26 -4.85 117.44 113.30 3kcm n TRP 63 Ca -0.01 -0.05 -0.41 0.00 -3.89 0.00 0.00 57.50 53.13 3kcm n TRP 63 Cb 0.52 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.39 3kcm n TRP 63 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3kcm h PRO 65 N 8.35 0.98 0.00 0.00 0.11 -1.89 -2.05 132.00 137.50 3kcm h PRO 65 Ca -0.28 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.72 3kcm h PRO 65 Cb 1.13 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3kcm h PRO 65 CO 0.75 0.68 -0.13 -1.35 -0.21 0.00 0.00 178.00 177.74 3kcm h PRO 66 N 0.99 0.00 0.11 1.05 0.11 -1.93 -0.80 132.00 131.53 3kcm h PRO 66 Ca 0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 3kcm h PRO 66 Cb -0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3kcm h PRO 66 CO -0.05 0.13 -0.05 0.00 -0.21 0.00 0.00 178.00 177.82 3kcm h ARG 68 N -0.47 1.24 -0.86 0.00 3.08 -1.00 -1.82 114.38 114.55 3kcm h ARG 68 Ca -0.02 -0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.11 3kcm h ARG 68 Cb 0.38 -0.28 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3kcm h ARG 68 CO 0.03 0.82 0.56 1.49 -1.07 0.00 0.00 179.97 181.80 3kcm h GLU 69 N 1.28 0.57 0.00 0.04 4.22 -0.85 -2.65 114.58 117.19 3kcm h GLU 69 Ca 0.36 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.77 3kcm h GLU 69 Cb -0.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.01 3kcm h GLU 69 CO -0.09 0.38 -1.22 -0.85 -2.18 0.00 0.00 179.01 175.06 3kcm n GLU 70 N -4.54 0.42 -0.17 1.92 0.28 -0.71 -4.44 120.64 113.41 3kcm n GLU 70 Ca 0.17 -0.02 -0.04 0.00 -0.16 0.00 0.00 57.16 57.11 3kcm n GLU 70 Cb 0.51 -1.62 0.02 0.00 1.43 0.00 0.00 31.44 31.77 3kcm n GLU 70 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3kcm h ILE 71 N 0.00 0.29 -0.74 3.84 2.04 -1.24 -1.57 117.51 120.13 3kcm h ILE 71 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 3kcm h ILE 71 Cb 0.83 0.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 3kcm h ILE 71 CO 0.00 0.00 0.30 -0.65 0.00 0.00 0.00 178.15 177.80 3kcm h PRO 72 N -0.13 0.44 -5.72 2.37 0.11 -1.78 -3.43 132.00 123.85 3kcm h PRO 72 Ca 0.23 -0.03 -0.38 0.00 0.11 0.00 0.00 66.00 65.94 3kcm h PRO 72 Cb 0.50 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.46 3kcm h PRO 72 CO -0.60 0.29 1.03 -1.54 -0.21 0.00 0.00 178.00 176.97 3kcm s SER 73 N -5.36 5.44 0.00 -2.05 1.04 -0.59 -4.76 113.70 107.42 3kcm s SER 73 Ca -0.12 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.15 3kcm s SER 73 Cb 0.20 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.75 3kcm s SER 73 CO 0.76 -2.53 0.00 0.54 0.98 0.00 0.00 173.24 172.99 3kcm n ARG 76 N 8.69 0.00 -0.13 4.02 1.74 -1.26 -3.38 116.66 126.34 3kcm n ARG 76 Ca 0.41 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.52 3kcm n ARG 76 Cb 0.47 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 32.25 3kcm n ARG 76 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3kcm h LEU 77 N 0.00 0.68 0.70 0.55 5.85 -1.88 -0.35 115.31 120.86 3kcm h LEU 77 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3kcm h LEU 77 Cb 0.00 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 40.87 3kcm h LEU 77 CO 0.00 0.48 -0.34 -1.13 -0.34 0.00 0.00 178.44 177.12 3kcm h ASN 78 N 0.80 -0.79 -0.02 1.25 -1.24 -1.97 -3.11 115.58 110.49 3kcm h ASN 78 Ca 0.23 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 3kcm h ASN 78 Cb -0.04 0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 3kcm h ASN 78 CO -0.06 -0.48 -0.01 0.00 -1.29 0.00 0.00 177.43 175.59 3kcm h ALA 79 N -0.89 1.82 0.00 1.57 0.00 -1.90 -3.17 119.26 116.70 3kcm h ALA 79 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kcm h ALA 79 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3kcm h ALA 79 CO 0.16 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3kcm n ALA 80 N -2.52 1.81 0.00 0.00 0.00 -0.17 -4.97 120.51 114.66 3kcm n ALA 80 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3kcm n ALA 80 Cb 0.14 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3kcm n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kcm n ALA 82 N 0.99 -1.31 0.00 0.00 0.00 -1.20 -5.03 120.51 113.96 3kcm n ALA 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kcm n ALA 82 Cb 0.13 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3kcm n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kcm n GLY 83 N -0.23 2.60 3.89 0.00 0.00 -1.26 -5.02 105.19 105.18 3kcm n GLY 83 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3kcm n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kcm s LYS 84 N -0.22 3.00 -1.43 1.61 1.02 -1.26 -5.01 119.74 117.44 3kcm s LYS 84 Ca 0.00 -1.06 -0.09 0.00 0.02 0.00 0.00 55.97 54.84 3kcm s LYS 84 Cb 0.00 -2.64 -0.09 0.00 -0.52 0.00 0.00 37.83 34.58 3kcm s LYS 84 CO 0.00 0.26 2.84 -2.30 -0.92 0.00 0.00 175.35 175.23 3kcm n PRO 85 N -1.36 3.34 -4.57 -1.68 -0.02 -1.26 -4.88 135.00 124.58 3kcm n PRO 85 Ca -0.05 -2.01 -0.27 0.00 -2.02 0.00 0.00 63.50 59.15 3kcm n PRO 85 Cb 0.58 -2.70 -0.14 0.00 -0.02 0.00 0.00 33.50 31.22 3kcm n PRO 85 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3kcm s PHE 86 N 2.34 2.02 0.00 6.00 5.36 -1.26 -2.05 117.98 130.39 3kcm s PHE 86 Ca 0.64 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 3kcm s PHE 86 Cb 0.17 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.69 3kcm s PHE 86 CO -0.05 0.18 0.00 0.54 -1.46 0.00 0.00 175.22 174.42 3kcm n ARG 87 N 1.46 0.14 -3.15 10.12 5.12 -0.50 -4.96 116.66 124.89 3kcm n ARG 87 Ca -0.18 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.80 3kcm n ARG 87 Cb 0.53 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.82 3kcm n ARG 87 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kcm s LEU 89 N 0.00 -0.17 -1.15 0.55 1.43 0.37 -1.65 118.68 118.05 3kcm s LEU 89 Ca 0.00 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 3kcm s LEU 89 Cb 0.00 1.13 0.24 0.00 0.03 0.00 0.00 46.19 47.60 3kcm s LEU 89 CO 0.00 -0.03 1.29 0.00 0.23 0.00 0.00 176.35 177.83 3kcm s VAL 91 N -0.48 3.25 -0.19 0.00 1.01 0.32 -3.14 120.40 121.17 3kcm s VAL 91 Ca 0.35 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 3kcm s VAL 91 Cb -0.06 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3kcm s VAL 91 CO -0.03 -0.11 0.32 -0.55 0.00 0.00 0.00 175.10 174.72 3kcm s SER 92 N 5.68 6.38 0.00 3.32 0.15 0.12 -2.17 113.70 127.19 3kcm s SER 92 Ca 0.86 0.45 0.26 0.00 0.70 0.00 0.00 55.95 58.22 3kcm s SER 92 Cb -0.33 -2.19 0.69 0.00 -1.71 0.00 0.00 66.02 62.47 3kcm s SER 92 CO 0.35 0.02 1.53 -0.38 1.20 0.00 0.00 173.24 175.95 3kcm n ILE 93 N 4.03 0.00 -1.62 6.45 -0.00 -1.11 -0.56 119.36 126.55 3kcm n ILE 93 Ca -0.11 -0.24 -0.55 0.00 -0.00 0.00 0.00 62.75 61.85 3kcm n ILE 93 Cb 0.52 0.70 -0.07 0.00 -0.00 0.00 0.00 39.64 40.78 3kcm n ILE 93 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 3kcm n ASP 94 N 0.00 1.61 -0.25 4.38 8.00 -1.26 -4.61 116.55 124.42 3kcm n ASP 94 Ca 0.15 1.12 0.06 0.00 0.71 0.00 0.00 54.79 56.82 3kcm n ASP 94 Cb 0.40 -1.13 0.18 0.00 -0.02 0.00 0.00 41.12 40.55 3kcm n ASP 94 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3kcm h GLU 95 N 5.09 0.21 0.00 -1.24 4.57 -1.92 -2.72 114.58 118.56 3kcm h GLU 95 Ca -0.48 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3kcm h GLU 95 Cb 1.34 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3kcm h GLU 95 CO 0.82 0.14 0.00 0.41 -1.18 0.00 0.00 179.01 179.20 3kcm n GLY 96 N -1.37 -0.63 7.00 1.92 0.00 -1.26 -4.89 105.19 105.97 3kcm n GLY 96 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3kcm n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kcm n GLY 97 N 0.18 2.46 0.16 -0.02 0.00 -1.03 -2.83 105.19 104.11 3kcm n GLY 97 Ca 0.06 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.69 3kcm n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kcm h LYS 98 N 0.00 0.08 -0.75 1.61 3.64 -1.93 -2.03 116.57 117.19 3kcm h LYS 98 Ca 0.00 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.46 3kcm h LYS 98 Cb 0.00 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 3kcm h LYS 98 CO 0.00 0.06 0.41 0.28 -2.27 0.00 0.00 179.45 177.92 3kcm h VAL 99 N 0.09 0.91 -0.35 2.00 2.07 -1.98 0.21 116.25 119.19 3kcm h VAL 99 Ca 0.19 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 3kcm h VAL 99 Cb 0.26 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3kcm h VAL 99 CO -0.32 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.28 3kcm h ALA 100 N 1.42 0.48 -0.31 1.67 0.00 -1.33 -2.45 119.26 118.75 3kcm h ALA 100 Ca 0.35 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3kcm h ALA 100 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3kcm h ALA 100 CO -0.23 0.36 -0.03 0.28 0.00 0.00 0.00 179.25 179.62 3kcm h VAL 101 N 0.48 1.27 -0.74 0.00 2.07 -0.78 -1.93 116.25 116.61 3kcm h VAL 101 Ca 0.08 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.63 3kcm h VAL 101 Cb 0.63 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.67 3kcm h VAL 101 CO 0.04 0.33 0.45 -0.33 0.02 0.00 0.00 177.57 178.08 3kcm h GLU 102 N 0.34 0.83 -0.28 1.57 4.39 -1.04 -0.57 114.58 119.82 3kcm h GLU 102 Ca 0.08 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 3kcm h GLU 102 Cb 0.49 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3kcm h GLU 102 CO 0.02 0.55 0.01 1.49 -1.16 0.00 0.00 179.01 179.92 3kcm h GLU 103 N 0.86 0.49 -0.15 2.33 4.81 -1.28 -1.63 114.58 120.01 3kcm h GLU 103 Ca 0.31 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3kcm h GLU 103 Cb 0.09 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3kcm h GLU 103 CO -0.14 0.64 0.06 0.35 -0.73 0.00 0.00 179.01 179.19 3kcm h PHE 104 N 0.28 0.10 -0.53 0.92 3.57 -0.94 -2.36 116.94 117.98 3kcm h PHE 104 Ca 0.08 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.65 3kcm h PHE 104 Cb 0.42 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3kcm h PHE 104 CO 0.03 0.05 0.36 0.74 -2.23 0.00 0.00 178.31 177.26 3kcm h PHE 105 N 0.13 0.46 -0.37 0.41 0.04 -1.02 -2.46 116.94 114.14 3kcm h PHE 105 Ca 0.06 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.69 3kcm h PHE 105 Cb 0.03 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 3kcm h PHE 105 CO -0.11 0.24 -0.38 -0.09 -0.60 0.00 0.00 178.31 177.37 3kcm h ARG 106 N 0.45 0.91 -0.00 1.51 2.43 -0.81 0.69 114.38 119.56 3kcm h ARG 106 Ca 0.23 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3kcm h ARG 106 Cb 0.34 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3kcm h ARG 106 CO -0.06 1.14 -0.27 1.63 -1.51 0.00 0.00 179.97 180.90 3kcm n LYS 107 N -4.09 0.15 0.00 0.20 5.02 -0.93 -4.11 118.16 114.39 3kcm n LYS 107 Ca -0.03 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3kcm n LYS 107 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3kcm n LYS 107 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3kcm n THR 108 N -1.37 0.00 -1.15 -0.18 -2.24 -1.03 -5.01 114.28 103.30 3kcm n THR 108 Ca 0.08 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 3kcm n THR 108 Cb 0.33 0.16 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3kcm n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcm n GLY 109 N 2.49 0.73 3.79 3.38 0.00 0.23 -5.03 105.19 110.79 3kcm n GLY 109 Ca 0.00 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 3kcm n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kcm s PHE 110 N -2.01 3.29 0.01 1.61 2.99 -1.19 -5.04 117.98 117.64 3kcm s PHE 110 Ca 0.00 1.65 -0.03 0.00 0.00 0.00 0.00 56.93 58.55 3kcm s PHE 110 Cb 0.00 -3.03 -0.01 0.00 0.00 0.00 0.00 43.02 39.98 3kcm s PHE 110 CO 0.00 -0.44 0.03 -0.08 -0.00 0.00 0.00 175.22 174.73 3kcm s THR 111 N -1.81 0.09 0.11 0.64 -1.32 -1.26 -4.67 115.64 107.43 3kcm s THR 111 Ca 0.59 -0.71 -0.25 0.00 -1.21 0.00 0.00 61.69 60.11 3kcm s THR 111 Cb -0.18 -0.29 0.07 0.00 -1.51 0.00 0.00 72.50 70.59 3kcm s THR 111 CO 0.23 -0.39 0.65 -0.76 -2.21 0.00 0.00 174.62 172.14 3kcm s LEU 112 N -1.23 -0.55 -0.86 9.08 1.43 -1.26 -5.08 118.68 120.21 3kcm s LEU 112 Ca -0.13 0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 3kcm s LEU 112 Cb -0.08 2.51 -0.03 0.00 0.03 0.00 0.00 46.19 48.62 3kcm s LEU 112 CO -0.00 -0.88 1.86 -2.84 0.23 0.00 0.00 176.35 174.72 3kcm s PRO 113 N -3.37 2.69 -0.15 1.29 0.02 -1.26 -4.96 135.00 129.25 3kcm s PRO 113 Ca 0.00 -0.21 -0.09 0.00 0.02 0.00 0.00 61.00 60.72 3kcm s PRO 113 Cb -0.01 -4.95 -0.05 0.00 0.02 0.00 0.00 34.50 29.52 3kcm s PRO 113 CO -0.10 -3.11 0.16 0.08 -0.33 0.00 0.00 177.00 173.70 3kcm s VAL 114 N 9.28 5.43 -0.06 3.83 1.01 -1.26 -1.56 120.40 137.07 3kcm s VAL 114 Ca 0.66 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.94 3kcm s VAL 114 Cb -0.07 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3kcm s VAL 114 CO 0.03 0.53 -0.13 -0.76 0.00 0.00 0.00 175.10 174.77 3kcm s LEU 115 N -0.37 2.82 -0.20 3.92 1.43 -1.19 -3.73 118.68 121.37 3kcm s LEU 115 Ca 0.13 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.90 3kcm s LEU 115 Cb -0.12 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3kcm s LEU 115 CO 0.02 0.34 0.40 -0.76 0.23 0.00 0.00 176.35 176.58 3kcm s LEU 116 N -0.68 4.16 -0.45 1.79 1.43 -0.89 0.15 118.68 124.19 3kcm s LEU 116 Ca 0.10 0.53 0.09 0.00 -1.03 0.00 0.00 54.13 53.82 3kcm s LEU 116 Cb -0.11 -2.52 0.31 0.00 0.03 0.00 0.00 46.19 43.90 3kcm s LEU 116 CO 0.01 -0.07 0.72 -0.67 0.23 0.00 0.00 176.35 176.57 3kcm n ASP 117 N 4.41 1.75 0.23 2.29 2.03 0.28 -4.53 116.55 123.02 3kcm n ASP 117 Ca -0.08 -3.11 0.09 0.00 0.52 0.00 0.00 54.79 52.21 3kcm n ASP 117 Cb 0.51 -0.62 0.57 0.00 -0.72 0.00 0.00 41.12 40.86 3kcm n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kcm h ALA 118 N 3.42 1.25 -0.49 -1.67 0.00 -1.75 -2.57 119.26 117.46 3kcm h ALA 118 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kcm h ALA 118 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3kcm h ALA 118 CO 0.60 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 3kcm n ASP 119 N -3.71 3.07 0.00 0.00 3.85 -1.26 -4.37 116.55 114.13 3kcm n ASP 119 Ca -0.01 -1.96 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 3kcm n ASP 119 Cb 0.33 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3kcm n ASP 119 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3kcm n LYS 120 N 1.20 0.00 -0.30 0.11 4.76 -0.97 -4.86 118.16 118.10 3kcm n LYS 120 Ca 0.19 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.72 3kcm n LYS 120 Cb 0.51 -2.67 0.18 0.00 -1.84 0.00 0.00 35.03 31.20 3kcm n LYS 120 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 3kcm n ARG 121 N -2.00 -0.07 0.10 1.97 0.63 -1.26 -0.64 116.66 115.40 3kcm n ARG 121 Ca 0.00 1.28 -0.16 0.00 -0.92 0.00 0.00 57.85 58.04 3kcm n ARG 121 Cb 0.00 -1.97 -0.13 0.00 0.45 0.00 0.00 32.46 30.82 3kcm n ARG 121 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3kcm h VAL 122 N 0.00 1.47 -0.47 5.15 2.07 -1.91 -1.84 116.25 120.71 3kcm h VAL 122 Ca 0.45 -2.96 0.09 0.00 0.82 0.00 0.00 66.70 65.11 3kcm h VAL 122 Cb 0.81 2.89 -0.09 0.00 -1.52 0.00 0.00 31.29 33.38 3kcm h VAL 122 CO -0.83 0.87 -0.12 1.23 0.02 0.00 0.00 177.57 178.75 3kcm h GLY 123 N 1.41 0.34 0.97 2.17 0.00 -1.56 -1.17 103.07 105.24 3kcm h GLY 123 Ca -0.14 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 3kcm h GLY 123 CO 0.21 -0.18 0.21 0.50 0.00 0.00 0.00 176.54 177.28 3kcm h LYS 124 N 0.00 0.73 -0.24 4.80 1.57 -0.72 -2.51 116.57 120.20 3kcm h LYS 124 Ca 0.23 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3kcm h LYS 124 Cb 0.34 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 3kcm h LYS 124 CO -0.49 0.64 0.16 1.25 -0.57 0.00 0.00 179.45 180.45 3kcm h LEU 125 N 0.66 0.15 -0.48 2.94 5.85 -0.96 0.46 115.31 123.93 3kcm h LEU 125 Ca 0.17 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3kcm h LEU 125 Cb 0.17 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kcm h LEU 125 CO -0.02 0.10 0.00 -1.22 -0.34 0.00 0.00 178.44 176.96 3kcm n TYR 126 N -4.49 0.03 -2.99 1.25 4.02 -0.47 -4.92 117.16 109.58 3kcm n TYR 126 Ca 0.02 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 3kcm n TYR 126 Cb 0.19 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.54 3kcm n TYR 126 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kcm n GLY 127 N 1.05 -0.52 3.77 2.72 0.00 0.16 -4.75 105.19 107.63 3kcm n GLY 127 Ca 0.20 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 3kcm n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kcm s THR 128 N -3.12 3.24 -0.38 2.61 -4.23 -0.97 -4.96 115.64 107.82 3kcm s THR 128 Ca 0.28 0.87 0.06 0.00 -1.18 0.00 0.00 61.69 61.72 3kcm s THR 128 Cb -0.13 -3.41 -0.05 0.00 1.34 0.00 0.00 72.50 70.26 3kcm s THR 128 CO 0.34 -0.07 0.34 0.35 -0.54 0.00 0.00 174.62 175.04 3kcm n THR 129 N -0.72 0.00 -3.03 3.99 -2.24 -1.26 -4.85 114.28 106.17 3kcm n THR 129 Ca 0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3kcm n THR 129 Cb 0.49 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 3kcm n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kcm n GLY 130 N 1.02 -1.22 2.95 3.38 0.00 -1.26 -5.19 105.19 104.86 3kcm n GLY 130 Ca 0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 3kcm n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kcm s VAL 131 N -3.00 0.17 0.55 1.61 -7.23 -1.26 -4.30 120.40 106.94 3kcm s VAL 131 Ca 0.00 -0.47 -0.17 0.00 -1.81 0.00 0.00 61.98 59.53 3kcm s VAL 131 Cb 0.00 -0.22 -0.06 0.00 0.56 0.00 0.00 36.38 36.66 3kcm s VAL 131 CO 0.00 -0.20 1.03 -2.84 -0.31 0.00 0.00 175.10 172.78 3kcm s PRO 132 N -0.70 3.61 -0.07 4.82 0.02 -1.26 -4.85 135.00 136.55 3kcm s PRO 132 Ca -0.06 1.15 -0.03 0.00 0.02 0.00 0.00 61.00 62.08 3kcm s PRO 132 Cb -0.05 -2.08 0.04 0.00 0.02 0.00 0.00 34.50 32.44 3kcm s PRO 132 CO -0.00 -0.57 0.15 -1.21 -0.33 0.00 0.00 177.00 175.04 3kcm s GLU 133 N -3.91 0.07 -0.06 5.54 2.02 -1.08 -1.88 118.70 119.39 3kcm s GLU 133 Ca 0.63 0.46 0.04 0.00 0.02 0.00 0.00 54.97 56.12 3kcm s GLU 133 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.87 3kcm s GLU 133 CO 0.32 -0.23 -0.19 0.99 0.02 0.00 0.00 175.26 176.17 3kcm s THR 134 N 1.68 1.58 -0.09 3.63 2.01 -0.15 -0.75 115.64 123.54 3kcm s THR 134 Ca -0.04 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 3kcm s THR 134 Cb -0.12 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 3kcm s THR 134 CO -0.06 0.45 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.90 3kcm s PHE 135 N 0.23 2.97 -0.24 4.92 0.40 -0.87 -0.97 117.98 124.42 3kcm s PHE 135 Ca -0.10 -0.08 -0.07 0.00 -0.60 0.00 0.00 56.93 56.08 3kcm s PHE 135 Cb -0.14 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 3kcm s PHE 135 CO 0.04 0.22 0.06 0.08 0.70 0.00 0.00 175.22 176.33 3kcm s VAL 136 N -0.46 4.33 -0.06 -0.44 1.01 -0.78 -0.74 120.40 123.26 3kcm s VAL 136 Ca 0.07 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3kcm s VAL 136 Cb -0.12 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 3kcm s VAL 136 CO 0.02 0.36 -0.24 -0.63 0.00 0.00 0.00 175.10 174.61 3kcm s ILE 137 N 1.43 2.20 0.68 2.22 1.01 -0.31 0.94 121.20 129.36 3kcm s ILE 137 Ca 0.05 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 3kcm s ILE 137 Cb -0.15 -1.80 0.10 0.00 0.01 0.00 0.00 42.46 40.62 3kcm s ILE 137 CO 0.03 0.57 0.95 1.51 0.00 0.00 0.00 174.94 178.00 3kcm s ASP 138 N -0.24 4.59 0.60 3.58 -4.77 -0.16 -1.47 116.67 118.80 3kcm s ASP 138 Ca -0.01 -0.20 0.28 0.00 -3.30 0.00 0.00 52.55 49.32 3kcm s ASP 138 Cb -0.13 -0.33 1.36 0.00 -1.09 0.00 0.00 42.92 42.73 3kcm s ASP 138 CO 0.03 -1.68 1.76 0.08 0.70 0.00 0.00 175.17 176.07 3kcm h ARG 139 N -0.40 0.00 -0.14 2.11 0.11 -1.86 -0.99 114.38 113.20 3kcm h ARG 139 Ca -0.39 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.69 3kcm h ARG 139 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3kcm h ARG 139 CO 0.45 0.00 0.00 0.72 0.10 0.00 0.00 179.97 181.24 3kcm n HIS 140 N -3.53 0.16 0.00 4.08 8.25 -1.26 0.93 115.22 123.84 3kcm n HIS 140 Ca 0.11 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3kcm n HIS 140 Cb 0.84 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 3kcm n HIS 140 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kcm n GLY 141 N 1.27 0.94 3.79 -1.41 0.00 -0.38 -4.98 105.19 104.42 3kcm n GLY 141 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 3kcm n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kcm s VAL 142 N -2.00 5.36 -0.04 1.61 1.01 -1.26 -0.18 120.40 124.89 3kcm s VAL 142 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 3kcm s VAL 142 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 3kcm s VAL 142 CO 0.00 0.53 1.14 -0.63 0.00 0.00 0.00 175.10 176.14 3kcm s ILE 143 N -0.31 4.38 -0.05 2.22 1.01 -0.99 -0.99 121.20 126.46 3kcm s ILE 143 Ca 0.11 1.69 0.18 0.00 0.00 0.00 0.00 60.65 62.63 3kcm s ILE 143 Cb -0.12 -4.09 -0.27 0.00 0.01 0.00 0.00 42.46 38.00 3kcm s ILE 143 CO 0.01 0.04 0.34 -0.11 0.00 0.00 0.00 174.94 175.22 3kcm n LEU 144 N 4.82 0.00 -3.65 2.97 -0.00 0.27 0.58 117.00 122.00 3kcm n LEU 144 Ca 0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 56.06 3kcm n LEU 144 Cb 0.47 0.07 -0.07 0.00 -0.00 0.00 0.00 43.42 43.89 3kcm n LEU 144 CO 0.54 0.07 0.98 -0.54 -0.00 0.00 0.00 177.39 178.44 3kcm s LYS 145 N -3.13 0.22 -0.06 1.96 3.01 -1.23 -4.82 119.74 115.70 3kcm s LYS 145 Ca -0.07 0.28 0.03 0.00 -1.01 0.00 0.00 55.97 55.21 3kcm s LYS 145 Cb 0.11 0.10 -0.02 0.00 -1.01 0.00 0.00 37.83 37.00 3kcm s LYS 145 CO 0.75 -0.03 -0.15 0.21 0.51 0.00 0.00 175.35 176.63 3kcm s LYS 146 N 0.28 2.65 -0.08 1.68 2.20 -1.26 -1.87 119.74 123.34 3kcm s LYS 146 Ca 0.03 -0.72 0.04 0.00 -0.36 0.00 0.00 55.97 54.97 3kcm s LYS 146 Cb -0.05 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.88 3kcm s LYS 146 CO -0.12 0.53 -0.21 0.08 -0.36 0.00 0.00 175.35 175.26 3kcm s VAL 147 N -0.48 1.82 0.02 4.02 1.01 -0.14 -4.99 120.40 121.65 3kcm s VAL 147 Ca 0.06 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3kcm s VAL 147 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3kcm s VAL 147 CO 0.02 0.51 0.01 0.68 0.00 0.00 0.00 175.10 176.32 3kcm s VAL 148 N 0.33 4.21 0.05 2.92 -7.23 -1.26 -0.98 120.40 118.43 3kcm s VAL 148 Ca -0.15 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 3kcm s VAL 148 Cb -0.17 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.86 3kcm s VAL 148 CO 0.07 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.79 3kcm n GLY 149 N 1.19 -1.53 3.61 2.32 0.00 -0.79 -5.00 105.19 104.99 3kcm n GLY 149 Ca -0.13 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3kcm n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kcm s ALA 150 N -1.43 0.72 -0.51 4.61 0.00 -1.26 -4.79 121.76 119.10 3kcm s ALA 150 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.77 3kcm s ALA 150 Cb 0.00 -2.82 0.13 0.00 0.00 0.00 0.00 23.12 20.44 3kcm s ALA 150 CO 0.00 -3.64 0.36 -1.21 0.00 0.00 0.00 175.76 171.28 3kcm s GLU 152 N -5.57 2.48 0.35 0.00 0.41 -1.26 -5.10 118.70 110.00 3kcm s GLU 152 Ca 0.73 -1.96 0.15 0.00 -0.41 0.00 0.00 54.97 53.49 3kcm s GLU 152 Cb -0.07 -3.86 0.61 0.00 -1.78 0.00 0.00 34.13 29.03 3kcm s GLU 152 CO 0.55 -1.18 1.72 -1.49 -0.49 0.00 0.00 175.26 174.38 3kcm h TRP 153 N 8.08 0.00 0.00 1.61 4.06 -1.89 -2.96 115.95 124.86 3kcm h TRP 153 Ca -0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.81 3kcm h TRP 153 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3kcm h TRP 153 CO 0.66 0.45 0.00 -0.40 -3.56 0.00 0.00 178.44 175.59 3kcm n ASP 154 N -3.70 0.00 -4.74 -3.49 3.85 -1.22 -4.55 116.55 102.70 3kcm n ASP 154 Ca -0.01 0.24 -0.41 0.00 -0.71 0.00 0.00 54.79 53.91 3kcm n ASP 154 Cb 0.52 -0.31 -0.05 0.00 -1.35 0.00 0.00 41.12 39.93 3kcm n ASP 154 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3kcm s HIS 155 N -2.63 3.82 0.31 2.11 3.76 -1.12 -4.79 115.29 116.75 3kcm s HIS 155 Ca 0.05 1.80 0.14 0.00 -0.15 0.00 0.00 55.06 56.90 3kcm s HIS 155 Cb 0.04 -3.08 1.06 0.00 1.11 0.00 0.00 32.58 31.71 3kcm s HIS 155 CO 0.09 0.11 1.38 -2.30 -0.85 0.00 0.00 174.74 173.16 3kcm n PRO 156 N 2.24 -0.06 -0.35 8.40 -0.02 -1.26 0.48 135.00 144.44 3kcm n PRO 156 Ca 0.01 1.23 0.04 0.00 -2.02 0.00 0.00 63.50 62.76 3kcm n PRO 156 Cb 0.48 -2.15 0.20 0.00 -0.02 0.00 0.00 33.50 32.01 3kcm n PRO 156 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kcm h GLU 157 N 0.00 1.02 0.08 -0.52 3.07 -1.96 -2.25 114.58 114.02 3kcm h GLU 157 Ca 0.69 -0.06 -0.29 0.00 -0.50 0.00 0.00 59.36 59.20 3kcm h GLU 157 Cb 1.76 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 29.42 3kcm h GLU 157 CO -0.71 0.68 -1.51 0.28 -1.40 0.00 0.00 179.01 176.35 3kcm h VAL 158 N 1.05 1.15 -0.36 3.13 2.07 -0.27 -2.74 116.25 120.28 3kcm h VAL 158 Ca 0.45 -2.85 0.00 0.00 0.82 0.00 0.00 66.70 65.12 3kcm h VAL 158 Cb 0.31 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 3kcm h VAL 158 CO -0.22 0.78 0.24 0.40 0.02 0.00 0.00 177.57 178.79 3kcm h ILE 159 N 0.04 1.09 -0.11 4.57 1.08 -1.44 -2.50 117.51 120.24 3kcm h ILE 159 Ca -0.22 -0.17 -0.12 0.00 -0.39 0.00 0.00 64.86 63.96 3kcm h ILE 159 Cb 1.98 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 3kcm h ILE 159 CO 0.14 0.09 -0.46 0.00 -0.69 0.00 0.00 178.15 177.22 3kcm h ALA 160 N 1.14 1.02 -0.13 1.87 0.00 -1.46 -0.12 119.26 121.57 3kcm h ALA 160 Ca 0.13 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 3kcm h ALA 160 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kcm h ALA 160 CO -0.03 0.63 -0.48 0.35 0.00 0.00 0.00 179.25 179.72 3kcm h PHE 161 N 0.22 0.41 -0.00 0.00 3.57 -1.42 -2.28 116.94 117.44 3kcm h PHE 161 Ca 0.01 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3kcm h PHE 161 Cb 0.90 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3kcm h PHE 161 CO 0.02 0.76 -0.29 1.28 -2.23 0.00 0.00 178.31 177.84 3kcm n LEU 162 N -3.97 0.29 -0.08 0.59 4.77 -0.87 -2.71 117.00 115.02 3kcm n LEU 162 Ca -0.02 0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 55.96 3kcm n LEU 162 Cb 0.54 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 41.16 3kcm n LEU 162 CO 0.44 0.07 -0.45 0.78 -1.33 0.00 0.00 177.39 176.90 3kcm h ASN 163 N 0.00 0.07 -0.67 -1.43 2.35 -0.79 -3.12 115.58 112.00 3kcm h ASN 163 Ca 0.00 -0.63 0.14 0.00 -0.55 0.00 0.00 56.30 55.26 3kcm h ASN 163 Cb 0.50 -0.02 -0.10 0.00 0.05 0.00 0.00 38.32 38.74 3kcm h ASN 163 CO 0.00 1.49 0.11 -1.13 -1.65 0.00 0.00 177.43 176.25 3kcm h ASN 164 N -0.84 -0.09 0.08 5.81 -0.73 -1.52 -0.26 115.58 118.03 3kcm h ASN 164 Ca -0.32 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.00 3kcm h ASN 164 Cb 1.39 0.21 0.00 0.00 0.27 0.00 0.00 38.32 40.19 3kcm h ASN 164 CO -0.14 -0.06 0.00 -0.08 -0.37 0.00 0.00 177.43 176.79 3kcm h GLU 165 N 0.22 0.00 0.01 6.67 4.57 -1.58 -0.88 114.58 123.59 3kcm h GLU 165 Ca 0.37 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.29 3kcm h GLU 165 Cb 0.61 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 3kcm h GLU 165 CO -0.50 0.00 -1.43 -0.07 -1.18 0.00 0.00 179.01 175.83 3kcm h LEU 166 N 0.00 0.04 -0.85 1.64 3.38 -0.97 -3.44 115.31 115.10 3kcm h LEU 166 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3kcm h LEU 166 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kcm h LEU 166 CO 0.00 1.05 0.00 -1.20 0.09 0.00 0.00 178.44 178.38