#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbo n MET 2 N 0.00 -4.43 -0.03 -0.41 0.00 -1.26 -4.99 117.12 106.00 2kbo n MET 2 Ca 0.00 3.36 -0.00 0.00 -0.00 0.00 0.00 57.70 61.06 2kbo n MET 2 Cb 0.00 -5.13 -0.00 0.00 0.00 0.00 0.00 33.22 28.09 2kbo n MET 2 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2kbo h LEU 3 N 3.90 -0.01 -7.11 -0.89 4.07 -2.04 -3.49 115.31 109.75 2kbo h LEU 3 Ca -0.48 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.42 2kbo h LEU 3 Cb 1.08 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 42.60 2kbo h LEU 3 CO 0.03 0.31 0.02 -0.60 -1.08 0.00 0.00 178.44 177.11 2kbo s ARG 4 N -1.39 0.75 -1.30 1.13 6.06 -1.26 -5.07 118.95 117.87 2kbo s ARG 4 Ca -0.00 0.77 -0.18 0.00 -2.50 0.00 0.00 55.73 53.82 2kbo s ARG 4 Cb 0.00 0.36 0.04 0.00 0.06 0.00 0.00 34.95 35.41 2kbo s ARG 4 CO 0.00 -0.11 1.87 1.58 -2.50 0.00 0.00 175.30 176.14 2kbo n HIS 5 N 2.53 4.09 -3.80 5.12 -0.00 -1.26 -4.78 115.22 117.12 2kbo n HIS 5 Ca -0.14 -2.66 -0.00 0.00 -0.00 0.00 0.00 57.72 54.91 2kbo n HIS 5 Cb 0.56 -2.58 0.01 0.00 -0.00 0.00 0.00 29.99 27.98 2kbo n HIS 5 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kbo n SER 6 N 8.60 -0.88 -4.63 0.26 7.64 -1.26 -5.13 113.62 118.22 2kbo n SER 6 Ca 0.49 -1.37 -0.42 0.00 1.01 0.00 0.00 58.87 58.58 2kbo n SER 6 Cb 0.44 1.41 -0.04 0.00 -1.01 0.00 0.00 64.21 65.01 2kbo n SER 6 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kbo s MET 7 N -2.02 4.12 0.00 1.43 -2.45 -1.26 -4.19 119.30 114.92 2kbo s MET 7 Ca 0.15 0.85 0.00 0.00 -1.25 0.00 0.00 55.69 55.44 2kbo s MET 7 Cb -0.01 -3.67 0.00 0.00 1.25 0.00 0.00 34.83 32.39 2kbo s MET 7 CO 0.02 -0.59 0.00 -3.47 1.05 0.00 0.00 175.02 172.03 2kbo n ASP 8 N 6.12 0.00 -3.45 1.11 2.03 -1.26 -4.91 116.55 116.18 2kbo n ASP 8 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2kbo n ASP 8 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2kbo n ASP 8 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2kbo n PRO 9 N 0.00 1.14 0.00 -0.67 -0.02 -1.26 -4.38 135.00 129.81 2kbo n PRO 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2kbo n PRO 9 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2kbo n PRO 9 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kbo n PRO 10 N -0.20 0.00 0.18 0.52 -0.02 -1.26 -2.67 135.00 131.55 2kbo n PRO 10 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 2kbo n PRO 10 Cb 0.00 -0.93 0.34 0.00 -0.02 0.00 0.00 33.50 32.89 2kbo n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kbo h THR 11 N 0.00 1.13 0.02 3.45 1.03 -1.94 -2.44 112.91 114.16 2kbo h THR 11 Ca 0.00 -1.49 -0.00 0.00 -0.01 0.00 0.00 66.41 64.91 2kbo h THR 11 Cb 0.00 1.84 0.00 0.00 -1.07 0.00 0.00 68.15 68.92 2kbo h THR 11 CO 0.00 0.40 -0.01 0.15 -0.01 0.00 0.00 175.52 176.05 2kbo h PHE 12 N 0.00 -0.02 0.00 0.00 3.04 -1.74 -3.28 116.94 114.93 2kbo h PHE 12 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2kbo h PHE 12 Cb 0.81 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.33 2kbo h PHE 12 CO 0.00 0.23 0.23 1.79 -2.02 0.00 0.00 178.31 178.54 2kbo h THR 13 N -1.00 0.00 -0.89 4.41 1.35 -1.81 -2.61 112.91 112.35 2kbo h THR 13 Ca -0.00 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 66.02 2kbo h THR 13 Cb 0.27 0.70 -0.16 0.00 -1.73 0.00 0.00 68.15 67.23 2kbo h THR 13 CO 0.00 0.00 -0.31 0.15 -0.25 0.00 0.00 175.52 175.11 2kbo h PHE 14 N 0.00 -0.80 0.00 4.73 3.57 -1.50 -3.44 116.94 119.50 2kbo h PHE 14 Ca 0.00 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2kbo h PHE 14 Cb 0.45 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2kbo h PHE 14 CO 0.00 -0.40 0.00 0.09 -2.23 0.00 0.00 178.31 175.77 2kbo n ASN 15 N -5.51 0.00 -0.29 0.41 3.02 -0.98 -5.08 115.26 106.82 2kbo n ASN 15 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2kbo n ASN 15 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 2kbo n ASN 15 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2kbo n PHE 16 N 0.00 0.00 0.00 3.10 3.72 -1.26 -5.04 117.46 117.98 2kbo n PHE 16 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2kbo n PHE 16 Cb 0.00 0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 2kbo n PHE 16 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kbo n ASN 17 N 0.00 0.00 0.00 4.37 5.03 -1.26 -4.63 115.26 118.77 2kbo n ASN 17 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2kbo n ASN 17 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 2kbo n ASN 17 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2kbo n ASN 18 N 1.84 -4.99 -4.04 6.41 2.85 -1.26 -4.88 115.26 111.19 2kbo n ASN 18 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 2kbo n ASN 18 Cb 0.00 -3.00 -0.11 0.00 1.24 0.00 0.00 39.78 37.91 2kbo n ASN 18 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2kbo s GLU 19 N -1.67 0.47 0.75 1.20 0.41 -1.26 -5.16 118.70 113.45 2kbo s GLU 19 Ca 0.00 -0.86 -0.11 0.00 -0.41 0.00 0.00 54.97 53.59 2kbo s GLU 19 Cb 0.00 0.04 0.04 0.00 -1.78 0.00 0.00 34.13 32.43 2kbo s GLU 19 CO 0.00 -0.05 1.08 -1.25 -0.49 0.00 0.00 175.26 174.55 2kbo s PRO 20 N -2.35 2.45 0.00 0.39 0.04 -1.26 -4.98 135.00 129.29 2kbo s PRO 20 Ca -0.06 0.96 0.00 0.00 0.04 0.00 0.00 61.00 61.94 2kbo s PRO 20 Cb -0.04 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2kbo s PRO 20 CO -0.04 -1.45 0.00 0.91 0.04 0.00 0.00 177.00 176.47 2kbo n TRP 21 N -3.36 0.00 1.17 0.56 7.02 -1.26 -4.74 117.44 116.83 2kbo n TRP 21 Ca 0.08 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.69 2kbo n TRP 21 Cb 0.54 0.01 0.38 0.00 -2.42 0.00 0.00 31.31 29.81 2kbo n TRP 21 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2kbo n VAL 22 N 0.00 0.00 -2.67 -0.99 0.31 -1.26 -4.00 118.33 109.71 2kbo n VAL 22 Ca 0.00 -0.07 0.02 0.00 -0.01 0.00 0.00 64.34 64.28 2kbo n VAL 22 Cb 0.14 0.23 0.04 0.00 -0.91 0.00 0.00 33.84 33.34 2kbo n VAL 22 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2kbo n ARG 23 N -1.02 0.91 0.00 5.55 0.63 -1.26 -4.84 116.66 116.63 2kbo n ARG 23 Ca 0.10 -2.75 0.00 0.00 -0.92 0.00 0.00 57.85 54.28 2kbo n ARG 23 Cb 0.33 -0.82 0.00 0.00 0.45 0.00 0.00 32.46 32.43 2kbo n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kbo n GLY 24 N -0.11 -1.15 0.00 5.14 0.00 -1.26 -5.04 105.19 102.78 2kbo n GLY 24 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2kbo n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbo n ARG 25 N -0.87 0.00 -1.17 1.61 1.74 -1.26 -4.97 116.66 111.74 2kbo n ARG 25 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 2kbo n ARG 25 Cb 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.59 2kbo n ARG 25 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2kbo n HIS 26 N 0.00 2.88 -4.00 -1.55 8.25 -1.26 -4.88 115.22 114.66 2kbo n HIS 26 Ca 0.00 -1.98 -0.34 0.00 -0.26 0.00 0.00 57.72 55.14 2kbo n HIS 26 Cb 0.00 -1.00 -0.15 0.00 1.12 0.00 0.00 29.99 29.96 2kbo n HIS 26 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2kbo s GLU 27 N -3.16 3.06 0.00 -0.41 2.12 -1.26 -4.89 118.70 114.16 2kbo s GLU 27 Ca 0.54 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2kbo s GLU 27 Cb 0.45 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 32.01 2kbo s GLU 27 CO 0.08 -0.27 0.00 0.25 -0.54 0.00 0.00 175.26 174.78 2kbo n THR 28 N 4.69 0.00 -1.86 -1.70 -2.24 -1.26 -4.56 114.28 107.35 2kbo n THR 28 Ca -0.19 0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.68 2kbo n THR 28 Cb 0.49 -0.69 0.01 0.00 -2.10 0.00 0.00 70.33 68.04 2kbo n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kbo n TYR 29 N 0.00 -0.54 -4.18 4.78 9.36 -1.26 -4.46 117.16 120.86 2kbo n TYR 29 Ca 0.00 0.19 -0.16 0.00 3.32 0.00 0.00 57.90 61.25 2kbo n TYR 29 Cb 0.00 -2.69 -0.13 0.00 -0.63 0.00 0.00 39.34 35.90 2kbo n TYR 29 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2kbo s LEU 30 N -3.29 2.15 0.14 2.98 0.05 -1.26 -4.75 118.68 114.71 2kbo s LEU 30 Ca 0.08 -0.38 -0.06 0.00 0.05 0.00 0.00 54.13 53.82 2kbo s LEU 30 Cb -0.01 -0.32 -0.06 0.00 -2.05 0.00 0.00 46.19 43.75 2kbo s LEU 30 CO 0.16 -0.05 0.39 0.00 -0.55 0.00 0.00 176.35 176.29 2kbo s TYR 32 N -1.64 -0.16 -0.12 0.00 1.13 -1.02 -1.09 117.35 114.45 2kbo s TYR 32 Ca 0.41 0.46 0.01 0.00 -1.41 0.00 0.00 57.07 56.53 2kbo s TYR 32 Cb -0.12 -0.08 0.02 0.00 -1.10 0.00 0.00 41.96 40.68 2kbo s TYR 32 CO 0.24 -0.16 -0.12 -1.21 -2.51 0.00 0.00 175.55 171.79 2kbo s GLU 33 N 1.08 2.02 0.09 -3.49 2.02 0.25 -4.57 118.70 116.09 2kbo s GLU 33 Ca -0.08 -0.46 0.05 0.00 0.02 0.00 0.00 54.97 54.49 2kbo s GLU 33 Cb -0.11 -1.86 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 2kbo s GLU 33 CO -0.05 -0.19 -0.12 0.54 0.02 0.00 0.00 175.26 175.46 2kbo s VAL 34 N 1.39 1.05 0.09 2.63 0.11 -1.26 0.12 120.40 124.53 2kbo s VAL 34 Ca 0.01 -1.51 0.06 0.00 -2.93 0.00 0.00 61.98 57.62 2kbo s VAL 34 Cb -0.13 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 2kbo s VAL 34 CO -0.07 -0.41 -0.16 -1.61 -3.33 0.00 0.00 175.10 169.52 2kbo s GLU 35 N -2.34 0.93 -0.02 1.54 2.02 -0.64 -4.74 118.70 115.45 2kbo s GLU 35 Ca 0.03 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 53.96 2kbo s GLU 35 Cb -0.06 -1.02 -0.04 0.00 0.10 0.00 0.00 34.13 33.11 2kbo s GLU 35 CO 0.01 0.23 0.09 0.50 0.02 0.00 0.00 175.26 176.11 2kbo s ARG 36 N -1.87 3.13 -0.24 1.61 3.52 -1.26 -2.04 118.95 121.80 2kbo s ARG 36 Ca 0.02 -0.43 -0.05 0.00 -0.13 0.00 0.00 55.73 55.14 2kbo s ARG 36 Cb -0.10 -2.91 -0.01 0.00 -1.56 0.00 0.00 34.95 30.38 2kbo s ARG 36 CO 0.03 0.67 0.00 -1.64 -0.81 0.00 0.00 175.30 173.55 2kbo s MET 37 N -1.63 3.34 -0.69 5.12 -1.94 0.35 0.03 119.30 123.89 2kbo s MET 37 Ca 0.22 -0.66 -0.22 0.00 -1.71 0.00 0.00 55.69 53.32 2kbo s MET 37 Cb -0.12 -3.14 0.08 0.00 2.01 0.00 0.00 34.83 33.66 2kbo s MET 37 CO 0.13 -0.26 0.96 -1.58 -0.01 0.00 0.00 175.02 174.25 2kbo s HIS 38 N 1.50 2.77 0.00 -0.03 2.46 -0.25 -2.61 115.29 119.12 2kbo s HIS 38 Ca 0.05 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 54.86 2kbo s HIS 38 Cb -0.15 -4.26 0.00 0.00 -0.13 0.00 0.00 32.58 28.04 2kbo s HIS 38 CO -0.01 -1.59 0.00 -1.71 -2.47 0.00 0.00 174.74 168.96 2kbo n ASN 39 N 7.39 -1.89 -0.31 9.88 5.15 -1.26 -1.98 115.26 132.25 2kbo n ASN 39 Ca -0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 2kbo n ASN 39 Cb 0.46 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.71 2kbo n ASN 39 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kbo n ASP 40 N -2.67 0.00 -4.14 1.20 9.92 -1.26 -4.48 116.55 115.12 2kbo n ASP 40 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 2kbo n ASP 40 Cb 0.00 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 2kbo n ASP 40 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2kbo s THR 41 N -1.12 0.59 0.22 -3.53 -1.32 -0.84 -5.15 115.64 104.50 2kbo s THR 41 Ca 0.00 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.55 2kbo s THR 41 Cb 0.00 -2.53 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 2kbo s THR 41 CO 0.00 0.00 0.17 -1.66 -2.21 0.00 0.00 174.62 170.92 2kbo s TRP 42 N -3.44 3.10 0.17 9.09 -2.14 -1.26 -1.09 118.94 123.36 2kbo s TRP 42 Ca 0.32 -0.09 0.07 0.00 2.66 0.00 0.00 56.10 59.07 2kbo s TRP 42 Cb 0.05 -1.43 -0.04 0.00 -3.10 0.00 0.00 33.47 28.95 2kbo s TRP 42 CO 0.16 0.52 -0.15 0.08 -2.66 0.00 0.00 176.95 174.90 2kbo s VAL 43 N -2.01 1.63 -0.36 -0.66 1.01 0.10 -4.63 120.40 115.47 2kbo s VAL 43 Ca 0.32 -1.97 0.04 0.00 0.00 0.00 0.00 61.98 60.37 2kbo s VAL 43 Cb -0.09 -1.83 0.10 0.00 0.00 0.00 0.00 36.38 34.57 2kbo s VAL 43 CO 0.24 -0.46 0.08 -0.76 0.00 0.00 0.00 175.10 174.20 2kbo s LEU 44 N -2.85 4.64 1.05 3.92 1.43 -1.26 -4.20 118.68 121.41 2kbo s LEU 44 Ca 0.16 -2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 50.89 2kbo s LEU 44 Cb -0.03 -1.61 0.22 0.00 0.03 0.00 0.00 46.19 44.80 2kbo s LEU 44 CO 0.05 -0.36 1.08 -0.76 0.23 0.00 0.00 176.35 176.59 2kbo s LEU 45 N 0.76 1.71 0.05 1.79 2.01 -1.26 -4.85 118.68 118.89 2kbo s LEU 45 Ca 0.12 1.80 -0.34 0.00 0.01 0.00 0.00 54.13 55.72 2kbo s LEU 45 Cb -0.20 -3.92 -0.13 0.00 0.01 0.00 0.00 46.19 41.95 2kbo s LEU 45 CO -0.07 -3.71 1.70 0.59 1.01 0.00 0.00 176.35 175.87 2kbo n ASN 46 N -4.61 3.20 0.00 2.29 3.02 -1.26 -4.95 115.26 112.95 2kbo n ASN 46 Ca 0.07 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 2kbo n ASN 46 Cb 0.53 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 2kbo n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbo n GLN 47 N 4.78 0.00 -2.62 3.52 6.02 -1.26 -4.87 117.38 122.94 2kbo n GLN 47 Ca 0.19 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.13 2kbo n GLN 47 Cb 0.29 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.50 2kbo n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2kbo n ARG 48 N 0.00 -4.48 -3.53 -1.09 1.74 -1.26 -4.94 116.66 103.09 2kbo n ARG 48 Ca 0.00 3.39 -0.37 0.00 -0.77 0.00 0.00 57.85 60.10 2kbo n ARG 48 Cb 0.00 -5.09 -0.09 0.00 -1.02 0.00 0.00 32.46 26.27 2kbo n ARG 48 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2kbo s ARG 49 N -0.78 4.11 0.00 5.56 3.00 -1.26 -5.00 118.95 124.57 2kbo s ARG 49 Ca -0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 55.73 54.42 2kbo s ARG 49 Cb 0.02 -3.55 0.00 0.00 0.00 0.00 0.00 34.95 31.42 2kbo s ARG 49 CO 0.79 -0.01 0.00 0.41 0.00 0.00 0.00 175.30 176.50 2kbo n GLY 50 N 4.18 1.87 1.23 8.12 0.00 -1.26 -4.97 105.19 114.36 2kbo n GLY 50 Ca -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 2kbo n GLY 50 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kbo n PHE 51 N 0.00 -0.91 -3.48 1.61 7.35 -1.26 -2.43 117.46 118.34 2kbo n PHE 51 Ca 0.00 -0.44 -0.19 0.00 -0.76 0.00 0.00 57.45 56.06 2kbo n PHE 51 Cb 0.00 0.21 -0.01 0.00 0.35 0.00 0.00 39.48 40.03 2kbo n PHE 51 CO 0.00 0.00 0.00 -0.48 -0.76 0.00 0.00 176.76 175.52 2kbo s LEU 52 N 0.00 3.73 0.08 -2.13 0.05 -1.26 -5.06 118.68 114.08 2kbo s LEU 52 Ca 0.07 -0.39 -0.01 0.00 0.05 0.00 0.00 54.13 53.85 2kbo s LEU 52 Cb -0.01 -2.50 -0.04 0.00 -2.05 0.00 0.00 46.19 41.59 2kbo s LEU 52 CO 0.02 -0.51 0.24 0.00 -0.55 0.00 0.00 176.35 175.55 2kbo n ASN 54 N 0.22 1.43 -4.84 0.00 4.05 -1.26 -4.91 115.26 109.94 2kbo n ASN 54 Ca -0.05 0.63 -0.33 0.00 0.45 0.00 0.00 54.58 55.29 2kbo n ASN 54 Cb 0.51 -1.06 -0.06 0.00 1.23 0.00 0.00 39.78 40.41 2kbo n ASN 54 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2kbo s GLN 55 N 5.77 3.21 0.13 1.20 -0.44 -1.26 -5.05 119.66 123.22 2kbo s GLN 55 Ca 1.14 -0.45 0.08 0.00 -2.50 0.00 0.00 55.36 53.62 2kbo s GLN 55 Cb -1.22 -2.95 -0.04 0.00 -1.64 0.00 0.00 33.01 27.17 2kbo s GLN 55 CO 0.60 0.64 -0.18 0.00 0.50 0.00 0.00 175.29 176.85 2kbo s ALA 56 N -1.30 1.78 -0.18 1.58 0.00 -1.26 -4.98 121.76 117.40 2kbo s ALA 56 Ca 0.27 -1.34 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2kbo s ALA 56 Cb -0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2kbo s ALA 56 CO 0.18 0.24 1.29 -1.25 0.00 0.00 0.00 175.76 176.23 2kbo s PRO 57 N -2.42 4.17 0.04 0.00 0.04 -1.26 -4.88 135.00 130.69 2kbo s PRO 57 Ca 0.10 1.62 0.22 0.00 0.04 0.00 0.00 61.00 62.99 2kbo s PRO 57 Cb -0.07 -3.80 -0.10 0.00 0.04 0.00 0.00 34.50 30.57 2kbo s PRO 57 CO 0.05 -0.79 0.86 -2.39 0.04 0.00 0.00 177.00 174.76 2kbo n HIS 58 N 6.83 0.24 0.51 0.56 1.44 -1.26 -3.96 115.22 119.58 2kbo n HIS 58 Ca 0.14 0.07 0.12 0.00 -2.01 0.00 0.00 57.72 56.04 2kbo n HIS 58 Cb 0.45 -0.47 0.17 0.00 0.12 0.00 0.00 29.99 30.27 2kbo n HIS 58 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 2kbo n LYS 59 N -2.08 2.40 -2.83 -1.40 2.85 -1.26 -5.04 118.16 110.81 2kbo n LYS 59 Ca 0.00 -2.15 -0.03 0.00 -1.05 0.00 0.00 58.31 55.09 2kbo n LYS 59 Cb 0.48 -1.49 -0.02 0.00 -0.65 0.00 0.00 35.03 33.35 2kbo n LYS 59 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 2kbo n HIS 60 N 1.42 -2.56 0.00 5.58 -0.00 -1.25 -5.00 115.22 113.39 2kbo n HIS 60 Ca 0.17 1.43 0.00 0.00 -0.00 0.00 0.00 57.72 59.33 2kbo n HIS 60 Cb 0.59 -2.71 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 2kbo n HIS 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kbo n GLY 61 N 1.86 -1.45 3.98 1.57 0.00 -1.26 -5.15 105.19 104.74 2kbo n GLY 61 Ca -0.20 0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 2kbo n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kbo s PHE 62 N -0.77 2.49 0.13 1.61 -0.71 -1.26 -5.11 117.98 114.36 2kbo s PHE 62 Ca 0.00 -0.07 0.03 0.00 -1.04 0.00 0.00 56.93 55.85 2kbo s PHE 62 Cb 0.00 -2.84 -0.04 0.00 -1.21 0.00 0.00 43.02 38.94 2kbo s PHE 62 CO 0.00 -1.14 0.18 -0.51 -1.34 0.00 0.00 175.22 172.40 2kbo s LEU 63 N -4.90 4.03 0.00 -1.99 1.43 -1.26 -4.85 118.68 111.14 2kbo s LEU 63 Ca 0.60 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2kbo s LEU 63 Cb -0.09 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.50 2kbo s LEU 63 CO 0.40 0.10 0.06 -0.62 0.23 0.00 0.00 176.35 176.52 2kbo n GLU 64 N -0.16 0.90 0.00 1.70 4.71 -1.26 -4.78 120.64 121.74 2kbo n GLU 64 Ca -0.08 -0.22 0.00 0.00 -0.01 0.00 0.00 57.16 56.86 2kbo n GLU 64 Cb 0.53 -0.02 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 2kbo n GLU 64 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2kbo n GLY 65 N 4.48 0.64 3.67 0.62 0.00 -1.26 -5.06 105.19 108.28 2kbo n GLY 65 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2kbo n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbo n ARG 66 N -1.35 2.86 -3.42 1.61 1.74 -1.26 -4.97 116.66 111.88 2kbo n ARG 66 Ca 0.00 1.05 -0.29 0.00 -0.77 0.00 0.00 57.85 57.84 2kbo n ARG 66 Cb 0.00 -2.99 -0.03 0.00 -1.02 0.00 0.00 32.46 28.41 2kbo n ARG 66 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2kbo s HIS 67 N 4.14 3.48 0.25 -1.55 3.76 -1.26 -4.78 115.29 119.33 2kbo s HIS 67 Ca 0.88 0.59 0.19 0.00 -0.15 0.00 0.00 55.06 56.57 2kbo s HIS 67 Cb -0.44 -2.06 0.85 0.00 1.11 0.00 0.00 32.58 32.04 2kbo s HIS 67 CO 0.41 0.22 0.88 0.00 -0.85 0.00 0.00 174.74 175.41 2kbo n ALA 68 N -0.83 0.79 0.26 -1.40 0.00 -1.26 0.65 120.51 118.73 2kbo n ALA 68 Ca -0.02 0.48 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 2kbo n ALA 68 Cb 0.54 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.33 2kbo n ALA 68 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2kbo h GLU 69 N 0.00 -0.70 0.00 0.00 9.09 -1.93 -2.25 114.58 118.80 2kbo h GLU 69 Ca 0.50 0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.96 2kbo h GLU 69 Cb 1.64 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 28.90 2kbo h GLU 69 CO -0.24 -0.47 0.00 -0.07 0.05 0.00 0.00 179.01 178.28 2kbo h LEU 70 N -0.73 0.00 0.60 3.06 -0.00 -0.06 -2.85 115.31 115.33 2kbo h LEU 70 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 2kbo h LEU 70 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2kbo h LEU 70 CO 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 178.44 178.15 2kbo h PHE 72 N -0.89 0.97 -1.58 0.00 -5.15 -1.49 0.15 116.94 108.96 2kbo h PHE 72 Ca -0.08 -0.11 0.46 0.00 -0.20 0.00 0.00 57.97 58.04 2kbo h PHE 72 Cb 0.71 -0.28 -0.06 0.00 0.22 0.00 0.00 35.95 36.54 2kbo h PHE 72 CO -0.03 0.82 1.34 1.25 -2.00 0.00 0.00 178.31 179.69 2kbo h LEU 73 N 0.84 0.00 0.00 2.10 5.85 -1.32 3.45 115.31 126.22 2kbo h LEU 73 Ca 0.19 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 2kbo h LEU 73 Cb 0.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2kbo h LEU 73 CO -0.00 0.00 -1.57 0.47 -0.34 0.00 0.00 178.44 177.00 2kbo n ASP 74 N -3.64 0.47 -0.04 1.25 8.00 0.47 -4.42 116.55 118.65 2kbo n ASP 74 Ca 0.35 0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.91 2kbo n ASP 74 Cb 1.81 0.98 -0.11 0.00 -0.02 0.00 0.00 41.12 43.78 2kbo n ASP 74 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2kbo h VAL 75 N 0.00 1.56 -0.89 2.53 3.04 0.71 -3.29 116.25 119.91 2kbo h VAL 75 Ca -0.09 -1.70 0.15 0.00 -1.01 0.00 0.00 66.70 64.05 2kbo h VAL 75 Cb 1.24 2.69 -0.15 0.00 -2.01 0.00 0.00 31.29 33.06 2kbo h VAL 75 CO 0.01 0.45 -0.32 -0.38 -1.01 0.00 0.00 177.57 176.32 2kbo n ILE 76 N -4.70 -0.45 0.71 3.17 2.08 -0.79 0.36 119.36 119.74 2kbo n ILE 76 Ca -0.09 2.08 0.07 0.00 0.56 0.00 0.00 62.75 65.37 2kbo n ILE 76 Cb 0.38 -2.77 0.37 0.00 -0.75 0.00 0.00 39.64 36.87 2kbo n ILE 76 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2kbo n PRO 77 N -5.35 0.24 0.03 0.38 -0.04 -1.25 -2.49 135.00 126.52 2kbo n PRO 77 Ca 0.10 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.55 2kbo n PRO 77 Cb 0.38 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.30 2kbo n PRO 77 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kbo h PHE 78 N 0.00 0.82 0.00 0.54 3.57 0.61 -3.19 116.94 119.29 2kbo h PHE 78 Ca 0.00 -0.39 -0.10 0.00 3.53 0.00 0.00 57.97 61.00 2kbo h PHE 78 Cb 0.12 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2kbo h PHE 78 CO 0.00 1.20 -0.72 -1.49 -2.23 0.00 0.00 178.31 175.07 2kbo h TRP 79 N 0.38 0.00 -5.80 0.41 6.55 -1.40 -3.48 115.95 112.60 2kbo h TRP 79 Ca -0.06 0.00 -0.34 0.00 0.95 0.00 0.00 58.89 59.43 2kbo h TRP 79 Cb 1.46 0.00 0.14 0.00 -0.86 0.00 0.00 29.16 29.89 2kbo h TRP 79 CO 0.07 0.44 -0.85 1.63 -1.05 0.00 0.00 178.44 178.68 2kbo n LYS 80 N -3.09 -3.54 0.00 0.49 5.02 -1.21 -5.00 118.16 110.83 2kbo n LYS 80 Ca -0.01 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 2kbo n LYS 80 Cb 0.73 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 2kbo n LYS 80 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kbo n LEU 81 N -3.85 0.00 0.00 -0.35 4.32 -1.26 -5.08 117.00 110.78 2kbo n LEU 81 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.82 2kbo n LEU 81 Cb 0.64 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 2kbo n LEU 81 CO 0.63 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.27 2kbo n ASP 82 N 0.00 1.66 -0.10 -1.43 9.92 -1.26 -5.08 116.55 120.26 2kbo n ASP 82 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.79 54.03 2kbo n ASP 82 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2kbo n ASP 82 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2kbo n LEU 83 N 0.00 2.05 0.00 0.64 -0.00 -1.26 -4.12 117.00 114.31 2kbo n LEU 83 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 56.01 56.36 2kbo n LEU 83 Cb 0.00 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 42.47 2kbo n LEU 83 CO 0.00 0.46 0.44 -0.67 -0.00 0.00 0.00 177.39 177.62 2kbo n ASP 84 N -4.20 0.00 -4.81 1.96 2.03 -1.26 -4.65 116.55 105.62 2kbo n ASP 84 Ca -0.38 0.37 -0.23 0.00 0.52 0.00 0.00 54.79 55.06 2kbo n ASP 84 Cb 0.80 -0.37 0.08 0.00 -0.72 0.00 0.00 41.12 40.91 2kbo n ASP 84 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kbo s GLN 85 N -2.73 2.05 0.30 -0.67 -1.52 -1.26 -4.02 119.66 111.81 2kbo s GLN 85 Ca 0.00 -0.77 -0.01 0.00 -1.95 0.00 0.00 55.36 52.64 2kbo s GLN 85 Cb 0.00 -2.33 -0.01 0.00 -0.22 0.00 0.00 33.01 30.45 2kbo s GLN 85 CO 0.00 -1.19 0.36 -0.51 -0.25 0.00 0.00 175.29 173.70 2kbo s ASP 86 N -4.58 0.88 -0.06 5.90 1.01 -1.07 -4.92 116.67 113.82 2kbo s ASP 86 Ca 0.62 -1.48 -0.03 0.00 0.71 0.00 0.00 52.55 52.37 2kbo s ASP 86 Cb -0.08 0.57 0.04 0.00 1.01 0.00 0.00 42.92 44.46 2kbo s ASP 86 CO 0.43 -1.13 0.12 -0.31 0.21 0.00 0.00 175.17 174.48 2kbo s TYR 87 N -3.47 -0.08 -0.75 4.23 2.02 -1.26 -0.50 117.35 117.56 2kbo s TYR 87 Ca 0.34 0.45 -0.10 0.00 -0.37 0.00 0.00 57.07 57.39 2kbo s TYR 87 Cb 0.02 -0.33 0.20 0.00 -0.40 0.00 0.00 41.96 41.44 2kbo s TYR 87 CO 0.20 -0.23 0.64 1.03 -1.57 0.00 0.00 175.55 175.62 2kbo s ARG 88 N 2.11 3.19 0.29 -0.62 0.52 -0.86 -3.07 118.95 120.51 2kbo s ARG 88 Ca 0.02 -2.49 -0.13 0.00 -0.52 0.00 0.00 55.73 52.61 2kbo s ARG 88 Cb -0.12 -4.15 -0.08 0.00 0.52 0.00 0.00 34.95 31.11 2kbo s ARG 88 CO -0.05 -1.24 0.68 0.08 0.02 0.00 0.00 175.30 174.79 2kbo s VAL 89 N 0.07 4.76 -0.06 3.52 1.01 0.06 -1.63 120.40 128.12 2kbo s VAL 89 Ca 0.17 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.94 2kbo s VAL 89 Cb -0.14 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2kbo s VAL 89 CO -0.07 -0.14 0.12 -0.89 0.00 0.00 0.00 175.10 174.12 2kbo s THR 90 N -1.92 -0.16 -0.19 3.92 2.01 0.33 -1.67 115.64 117.96 2kbo s THR 90 Ca 0.52 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.81 2kbo s THR 90 Cb -0.11 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.17 2kbo s THR 90 CO 0.19 0.13 -0.09 0.00 -0.69 0.00 0.00 174.62 174.16 2kbo s PHE 92 N 1.17 3.40 0.26 0.00 0.08 -0.25 -1.21 117.98 121.43 2kbo s PHE 92 Ca 0.02 -1.79 -0.00 0.00 0.12 0.00 0.00 56.93 55.27 2kbo s PHE 92 Cb -0.14 -3.14 -0.03 0.00 -0.57 0.00 0.00 43.02 39.14 2kbo s PHE 92 CO -0.03 -0.91 0.25 0.99 -0.10 0.00 0.00 175.22 175.42 2kbo s THR 93 N 1.35 0.00 -0.07 0.64 2.01 -0.76 -0.70 115.64 118.11 2kbo s THR 93 Ca 0.04 -1.88 0.06 0.00 0.31 0.00 0.00 61.69 60.22 2kbo s THR 93 Cb -0.24 -2.48 -0.24 0.00 0.01 0.00 0.00 72.50 69.55 2kbo s THR 93 CO 0.00 0.00 0.56 -0.24 -0.69 0.00 0.00 174.62 174.25 2kbo n SER 94 N -0.77 1.32 -4.78 3.53 2.88 -1.26 -2.99 113.62 111.55 2kbo n SER 94 Ca 0.03 0.34 -0.34 0.00 -1.33 0.00 0.00 58.87 57.57 2kbo n SER 94 Cb 0.64 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.68 2kbo n SER 94 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2kbo s TRP 95 N -2.58 3.31 0.12 0.66 1.48 -1.26 -0.43 118.94 120.24 2kbo s TRP 95 Ca -0.11 0.26 -0.02 0.00 -1.06 0.00 0.00 56.10 55.17 2kbo s TRP 95 Cb 0.07 -1.79 0.03 0.00 -1.16 0.00 0.00 33.47 30.63 2kbo s TRP 95 CO 0.81 0.56 0.14 -1.13 -4.06 0.00 0.00 176.95 173.27 2kbo n SER 96 N 1.57 -0.39 -2.69 -2.66 3.41 -1.26 -4.81 113.62 106.79 2kbo n SER 96 Ca -0.16 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2kbo n SER 96 Cb 0.53 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2kbo n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2kbo n PRO 97 N -1.52 2.23 -3.72 4.33 -0.04 -1.26 -5.06 135.00 129.97 2kbo n PRO 97 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 2kbo n PRO 97 Cb 0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.45 2kbo n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kbo n PHE 99 N 0.99 0.42 0.01 0.00 -1.74 -1.26 0.27 117.46 116.15 2kbo n PHE 99 Ca -0.20 0.97 -0.01 0.00 -0.56 0.00 0.00 57.45 57.65 2kbo n PHE 99 Cb 0.57 -1.05 -0.01 0.00 1.52 0.00 0.00 39.48 40.52 2kbo n PHE 99 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2kbo h SER 100 N 0.00 -0.06 0.47 5.98 0.87 -1.96 -3.14 113.55 115.71 2kbo h SER 100 Ca 0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 2kbo h SER 100 Cb 0.84 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2kbo h SER 100 CO -0.78 0.15 0.00 0.00 -0.53 0.00 0.00 176.83 175.66 2kbo h ALA 102 N 2.30 0.05 0.30 0.00 0.00 0.37 -2.82 119.26 119.46 2kbo h ALA 102 Ca 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kbo h ALA 102 Cb 0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2kbo h ALA 102 CO 0.00 0.01 -0.50 1.96 0.00 0.00 0.00 179.25 180.72 2kbo h GLN 103 N -0.46 -0.82 -0.45 0.00 4.20 -1.37 0.60 115.11 116.81 2kbo h GLN 103 Ca -0.01 0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.79 2kbo h GLN 103 Cb 0.84 0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.75 2kbo h GLN 103 CO 0.03 -0.54 -0.27 0.39 -0.67 0.00 0.00 178.83 177.77 2kbo n GLU 104 N -5.38 -0.20 0.08 1.46 1.02 -1.05 0.33 120.64 116.89 2kbo n GLU 104 Ca -0.10 0.92 -0.05 0.00 -0.02 0.00 0.00 57.16 57.91 2kbo n GLU 104 Cb 0.42 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 2kbo n GLU 104 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 2kbo h MET 105 N 0.00 -0.27 -0.61 3.49 4.05 -1.16 -2.65 114.93 117.78 2kbo h MET 105 Ca 0.07 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.59 2kbo h MET 105 Cb 0.18 0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 30.96 2kbo h MET 105 CO -0.42 -0.18 -0.27 0.00 0.23 0.00 0.00 176.91 176.27 2kbo n ALA 106 N -2.45 -0.15 -0.09 0.39 0.00 0.20 -0.27 120.51 118.14 2kbo n ALA 106 Ca -0.03 0.58 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kbo n ALA 106 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2kbo n ALA 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kbo n LYS 107 N -4.86 0.00 -0.46 0.00 5.02 0.15 0.30 118.16 118.30 2kbo n LYS 107 Ca 0.05 0.82 0.37 0.00 -2.02 0.00 0.00 58.31 57.53 2kbo n LYS 107 Cb 0.22 -1.46 0.59 0.00 -0.02 0.00 0.00 35.03 34.37 2kbo n LYS 107 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 2kbo n PHE 108 N -2.56 0.29 -0.00 2.13 3.01 0.62 0.15 117.46 121.11 2kbo n PHE 108 Ca 0.00 0.29 -0.00 0.00 1.01 0.00 0.00 57.45 58.75 2kbo n PHE 108 Cb 0.00 -0.69 -0.00 0.00 -0.01 0.00 0.00 39.48 38.78 2kbo n PHE 108 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2kbo h ILE 109 N 0.00 0.00 -0.81 4.37 5.03 0.16 -3.02 117.51 123.23 2kbo h ILE 109 Ca 0.72 -0.02 0.20 0.00 -0.12 0.00 0.00 64.86 65.64 2kbo h ILE 109 Cb 2.60 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 36.26 2kbo h ILE 109 CO -0.20 0.00 0.19 0.77 -0.68 0.00 0.00 178.15 178.24 2kbo h SER 110 N -0.02 -0.02 -0.47 1.72 4.64 0.60 0.91 113.55 120.92 2kbo h SER 110 Ca 0.00 0.18 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 2kbo h SER 110 Cb 0.01 0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2kbo h SER 110 CO 0.00 -0.10 0.15 0.11 -0.87 0.00 0.00 176.83 176.12 2kbo h LYS 111 N 0.23 0.80 -2.24 4.77 1.79 0.13 -3.36 116.57 118.69 2kbo h LYS 111 Ca 0.49 -0.15 -0.52 0.00 -2.18 0.00 0.00 60.65 58.29 2kbo h LYS 111 Cb 0.91 -0.13 -0.35 0.00 -1.58 0.00 0.00 32.23 31.08 2kbo h LYS 111 CO -0.60 0.70 -0.86 -0.80 -1.08 0.00 0.00 179.45 176.82 2kbo s ASN 112 N -6.58 1.53 0.00 0.86 0.02 0.25 -4.96 114.94 106.06 2kbo s ASN 112 Ca -0.10 -2.50 0.00 0.00 -1.02 0.00 0.00 52.86 49.25 2kbo s ASN 112 Cb 0.16 -0.07 0.00 0.00 0.02 0.00 0.00 41.25 41.36 2kbo s ASN 112 CO 0.79 -0.21 0.51 0.29 0.02 0.00 0.00 177.10 178.51 2kbo n LYS 113 N 3.38 0.00 0.00 -0.60 4.76 0.24 -2.76 118.16 123.19 2kbo n LYS 113 Ca 0.21 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 2kbo n LYS 113 Cb 0.45 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2kbo n LYS 113 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2kbo n HIS 114 N -1.01 0.00 -4.31 2.13 -0.00 -1.26 -4.44 115.22 106.32 2kbo n HIS 114 Ca 0.00 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.89 2kbo n HIS 114 Cb 0.09 -0.09 -0.11 0.00 -0.12 0.00 0.00 29.99 29.75 2kbo n HIS 114 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2kbo s VAL 115 N -1.87 2.83 -0.24 3.57 1.01 -1.11 -4.07 120.40 120.52 2kbo s VAL 115 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 2kbo s VAL 115 Cb 0.00 -2.30 0.08 0.00 0.00 0.00 0.00 36.38 34.16 2kbo s VAL 115 CO 0.00 0.08 0.08 -0.44 0.00 0.00 0.00 175.10 174.82 2kbo s SER 116 N -2.19 3.23 -0.15 3.32 0.01 -1.17 -4.93 113.70 111.81 2kbo s SER 116 Ca 0.18 -1.09 -0.10 0.00 1.31 0.00 0.00 55.95 56.25 2kbo s SER 116 Cb -0.10 -0.55 -0.05 0.00 0.21 0.00 0.00 66.02 65.53 2kbo s SER 116 CO 0.10 -0.37 0.19 -0.76 0.41 0.00 0.00 173.24 172.82 2kbo s LEU 117 N 1.90 4.29 -0.49 2.44 2.01 -1.26 -0.76 118.68 126.80 2kbo s LEU 117 Ca 0.04 0.42 0.04 0.00 0.01 0.00 0.00 54.13 54.64 2kbo s LEU 117 Cb -0.17 -2.19 0.13 0.00 0.01 0.00 0.00 46.19 43.97 2kbo s LEU 117 CO -0.19 0.24 0.24 0.00 1.01 0.00 0.00 176.35 177.65 2kbo s ILE 119 N -0.08 5.18 -0.38 0.00 1.01 0.12 -1.43 121.20 125.62 2kbo s ILE 119 Ca 0.16 0.91 -0.02 0.00 0.00 0.00 0.00 60.65 61.71 2kbo s ILE 119 Cb -0.25 -3.79 0.10 0.00 0.01 0.00 0.00 42.46 38.53 2kbo s ILE 119 CO -0.01 0.36 0.15 0.12 0.00 0.00 0.00 174.94 175.56 2kbo s PHE 120 N 0.44 3.57 -0.22 3.97 5.36 -0.35 0.13 117.98 130.87 2kbo s PHE 120 Ca 0.25 -2.42 -0.04 0.00 -0.96 0.00 0.00 56.93 53.76 2kbo s PHE 120 Cb -0.15 -3.02 -0.01 0.00 -0.34 0.00 0.00 43.02 39.50 2kbo s PHE 120 CO 0.10 -0.94 -0.03 0.95 -1.46 0.00 0.00 175.22 173.84 2kbo s THR 121 N 1.12 3.50 0.04 0.12 -4.23 -0.57 -1.83 115.64 113.79 2kbo s THR 121 Ca 0.07 -0.45 -0.21 0.00 -1.18 0.00 0.00 61.69 59.92 2kbo s THR 121 Cb -0.22 -2.60 -0.11 0.00 1.34 0.00 0.00 72.50 70.92 2kbo s THR 121 CO -0.04 0.41 1.32 0.00 -0.54 0.00 0.00 174.62 175.77 2kbo h ALA 122 N 8.10 -1.07 -2.38 3.99 0.00 -0.64 -3.08 119.26 124.17 2kbo h ALA 122 Ca -0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2kbo h ALA 122 Cb 1.16 0.44 -0.16 0.00 0.00 0.00 0.00 17.79 19.23 2kbo h ALA 122 CO 0.60 -1.06 0.26 -0.98 0.00 0.00 0.00 179.25 178.07 2kbo s ARG 123 N -4.66 1.08 -0.22 0.00 1.04 0.20 -4.47 118.95 111.91 2kbo s ARG 123 Ca -0.11 -0.10 -0.03 0.00 -1.04 0.00 0.00 55.73 54.46 2kbo s ARG 123 Cb 0.02 0.50 0.07 0.00 -2.04 0.00 0.00 34.95 33.50 2kbo s ARG 123 CO 0.34 -0.41 0.06 0.96 -0.04 0.00 0.00 175.30 176.22 2kbo s ILE 124 N -2.39 0.44 -0.82 4.99 -4.36 -1.26 -4.27 121.20 113.52 2kbo s ILE 124 Ca -0.04 -0.67 -0.05 0.00 -0.26 0.00 0.00 60.65 59.63 2kbo s ILE 124 Cb -0.01 -1.07 0.21 0.00 1.25 0.00 0.00 42.46 42.84 2kbo s ILE 124 CO -0.02 -0.35 0.71 -0.31 0.24 0.00 0.00 174.94 175.21 2kbo s TYR 125 N 1.88 3.76 0.24 1.37 1.51 -1.26 -4.76 117.35 120.09 2kbo s TYR 125 Ca 0.02 -2.70 0.11 0.00 -1.01 0.00 0.00 57.07 53.50 2kbo s TYR 125 Cb -0.17 -3.41 -0.05 0.00 -0.11 0.00 0.00 41.96 38.22 2kbo s TYR 125 CO -0.14 -0.84 -0.20 0.34 -1.11 0.00 0.00 175.55 173.59 2kbo s ASP 126 N 0.72 3.39 -0.50 2.29 -1.08 -1.26 -5.04 116.67 115.20 2kbo s ASP 126 Ca 0.23 -0.98 0.03 0.00 -0.52 0.00 0.00 52.55 51.31 2kbo s ASP 126 Cb -0.12 -0.26 0.59 0.00 -1.46 0.00 0.00 42.92 41.66 2kbo s ASP 126 CO -0.08 0.03 1.90 -0.67 0.52 0.00 0.00 175.17 176.87 2kbo n ASP 127 N -0.32 4.86 0.00 -0.34 2.03 -1.26 -4.73 116.55 116.79 2kbo n ASP 127 Ca -0.08 -3.68 0.00 0.00 0.52 0.00 0.00 54.79 51.55 2kbo n ASP 127 Cb 0.59 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 2kbo n ASP 127 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kbo n GLN 128 N -1.07 0.00 0.00 -0.67 1.13 -1.26 -4.98 117.38 110.53 2kbo n GLN 128 Ca 0.58 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 2kbo n GLN 128 Cb 1.30 -0.14 0.00 0.00 0.11 0.00 0.00 30.24 31.52 2kbo n GLN 128 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kbo n GLY 129 N 2.78 1.94 0.03 1.08 0.00 -1.26 -4.70 105.19 105.05 2kbo n GLY 129 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2kbo n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbo n ARG 130 N 0.00 0.29 0.00 1.61 1.74 -1.26 -2.63 116.66 116.41 2kbo n ARG 130 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2kbo n ARG 130 Cb 0.00 -1.01 0.74 0.00 -1.02 0.00 0.00 32.46 31.17 2kbo n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kbo n GLN 132 N -1.15 0.06 0.00 0.00 6.02 -1.08 -2.79 117.38 118.44 2kbo n GLN 132 Ca 0.16 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.66 2kbo n GLN 132 Cb 0.16 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.62 2kbo n GLN 132 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2kbo n GLU 133 N -1.78 0.00 -0.01 -1.09 0.28 -1.23 -1.50 120.64 115.31 2kbo n GLU 133 Ca -0.01 0.48 -0.12 0.00 -0.16 0.00 0.00 57.16 57.35 2kbo n GLU 133 Cb 0.13 -1.47 -0.08 0.00 1.43 0.00 0.00 31.44 31.45 2kbo n GLU 133 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2kbo h GLY 134 N 0.00 0.08 -0.32 -1.84 0.00 -1.58 -2.29 103.07 97.12 2kbo h GLY 134 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2kbo h GLY 134 CO 0.00 0.06 -0.30 -2.00 0.00 0.00 0.00 176.54 174.30 2kbo h LEU 135 N -0.25 -1.03 -2.01 3.11 6.46 -1.63 0.59 115.31 120.55 2kbo h LEU 135 Ca 0.01 0.14 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 2kbo h LEU 135 Cb 0.36 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 40.71 2kbo h LEU 135 CO 0.00 -0.18 0.19 -0.09 -0.62 0.00 0.00 178.44 177.74 2kbo h ARG 136 N -0.13 0.00 0.12 1.25 1.12 -1.33 -0.12 114.38 115.28 2kbo h ARG 136 Ca 0.05 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 2kbo h ARG 136 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 2kbo h ARG 136 CO -0.37 0.00 -0.06 1.15 -3.11 0.00 0.00 179.97 177.58 2kbo h THR 137 N 0.00 0.82 0.00 0.20 2.02 0.11 -1.90 112.91 114.16 2kbo h THR 137 Ca 0.12 -1.30 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 2kbo h THR 137 Cb 0.49 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2kbo h THR 137 CO -0.00 0.24 -0.27 0.17 0.37 0.00 0.00 175.52 176.02 2kbo h LEU 138 N -0.93 0.00 -0.19 2.58 -0.00 0.12 1.55 115.31 118.45 2kbo h LEU 138 Ca -0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.64 2kbo h LEU 138 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2kbo h LEU 138 CO 0.03 0.27 -0.91 0.00 -0.00 0.00 0.00 178.44 177.83 2kbo h ALA 139 N 1.73 0.37 0.09 0.17 0.00 -1.11 0.62 119.26 121.13 2kbo h ALA 139 Ca -0.00 -0.69 -0.36 0.00 0.00 0.00 0.00 54.91 53.86 2kbo h ALA 139 Cb 0.70 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2kbo h ALA 139 CO 0.04 0.78 -2.08 0.39 0.00 0.00 0.00 179.25 178.38 2kbo n GLU 140 N -3.78 0.73 0.15 0.00 -0.58 -0.71 -3.68 120.64 112.77 2kbo n GLU 140 Ca -0.07 0.23 0.19 0.00 -0.42 0.00 0.00 57.16 57.10 2kbo n GLU 140 Cb 0.82 -1.67 0.78 0.00 -0.57 0.00 0.00 31.44 30.79 2kbo n GLU 140 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kbo h ALA 141 N 0.17 1.93 0.00 0.62 0.00 0.21 -3.42 119.26 118.76 2kbo h ALA 141 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2kbo h ALA 141 Cb 2.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2kbo h ALA 141 CO 0.05 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.19 2kbo n GLY 142 N -1.43 0.03 3.64 0.00 0.00 -1.21 -3.97 105.19 102.23 2kbo n GLY 142 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2kbo n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo s ALA 143 N 0.00 3.63 -0.49 4.61 0.00 0.22 -4.14 121.76 125.58 2kbo s ALA 143 Ca 0.00 -0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 2kbo s ALA 143 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2kbo s ALA 143 CO 0.00 -0.91 0.98 0.15 0.00 0.00 0.00 175.76 175.98 2kbo s LYS 144 N 2.75 3.52 0.09 0.00 -0.14 0.27 -4.16 119.74 122.07 2kbo s LYS 144 Ca 0.32 0.15 -0.06 0.00 -1.36 0.00 0.00 55.97 55.01 2kbo s LYS 144 Cb -0.15 -3.95 -0.05 0.00 -1.68 0.00 0.00 37.83 31.99 2kbo s LYS 144 CO 0.08 -1.33 0.35 0.42 -0.76 0.00 0.00 175.35 174.10 2kbo s ILE 145 N 3.99 5.19 -0.01 2.17 -1.09 -1.26 0.16 121.20 130.35 2kbo s ILE 145 Ca 0.38 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 2kbo s ILE 145 Cb -0.10 -3.62 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 2kbo s ILE 145 CO 0.26 0.19 -0.01 -0.94 -1.23 0.00 0.00 174.94 173.21 2kbo s SER 146 N -2.09 0.22 -0.53 3.58 1.04 0.34 -4.88 113.70 111.38 2kbo s SER 146 Ca 0.35 -0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.56 2kbo s SER 146 Cb -0.13 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 65.99 2kbo s SER 146 CO 0.21 -0.02 0.73 -0.63 0.98 0.00 0.00 173.24 174.51 2kbo s ILE 147 N 0.26 4.72 -0.69 -1.02 1.09 -1.26 -1.52 121.20 122.78 2kbo s ILE 147 Ca -0.02 -0.30 -0.26 0.00 -1.10 0.00 0.00 60.65 58.97 2kbo s ILE 147 Cb -0.04 -4.38 -0.03 0.00 -1.06 0.00 0.00 42.46 36.95 2kbo s ILE 147 CO -0.01 -0.92 1.87 -0.32 -0.10 0.00 0.00 174.94 175.46 2kbo s MET 148 N 3.04 2.62 0.55 2.79 1.75 -1.16 -4.90 119.30 123.98 2kbo s MET 148 Ca 0.19 0.35 0.06 0.00 -1.25 0.00 0.00 55.69 55.04 2kbo s MET 148 Cb -0.17 -4.57 0.06 0.00 2.84 0.00 0.00 34.83 32.99 2kbo s MET 148 CO 0.14 -2.89 0.76 0.95 -0.65 0.00 0.00 175.02 173.32 2kbo s THR 149 N 9.27 2.47 0.05 10.11 -4.23 -1.26 -4.66 115.64 127.40 2kbo s THR 149 Ca 0.67 -0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 60.19 2kbo s THR 149 Cb -0.11 -2.58 -0.02 0.00 1.34 0.00 0.00 72.50 71.13 2kbo s THR 149 CO 0.15 0.00 0.76 0.00 -0.54 0.00 0.00 174.62 174.99 2kbo n TYR 150 N -2.23 -0.15 0.02 3.99 4.11 -1.26 0.28 117.16 121.92 2kbo n TYR 150 Ca 0.12 0.43 -0.11 0.00 -0.00 0.00 0.00 57.90 58.34 2kbo n TYR 150 Cb 0.60 -0.44 -0.07 0.00 -0.00 0.00 0.00 39.34 39.44 2kbo n TYR 150 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2kbo h SER 151 N 0.00 -1.15 0.00 9.48 4.64 -1.98 0.60 113.55 125.14 2kbo h SER 151 Ca 0.05 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2kbo h SER 151 Cb 0.14 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2kbo h SER 151 CO -0.32 -0.34 0.05 -0.62 -0.87 0.00 0.00 176.83 174.73 2kbo n GLU 152 N -4.50 0.10 0.00 4.77 4.71 0.10 -2.12 120.64 123.71 2kbo n GLU 152 Ca -0.05 0.59 -0.00 0.00 -0.01 0.00 0.00 57.16 57.69 2kbo n GLU 152 Cb 0.26 -1.89 -0.00 0.00 -1.01 0.00 0.00 31.44 28.80 2kbo n GLU 152 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2kbo h PHE 153 N 0.00 -0.02 -0.94 -0.32 3.04 0.96 -0.28 116.94 119.38 2kbo h PHE 153 Ca 0.00 -0.00 0.27 0.00 3.98 0.00 0.00 57.97 62.22 2kbo h PHE 153 Cb 0.10 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.58 2kbo h PHE 153 CO 0.00 -0.01 1.03 0.87 -2.02 0.00 0.00 178.31 178.18 2kbo h LYS 154 N -0.11 0.00 0.12 1.11 1.57 -0.66 2.99 116.57 121.59 2kbo h LYS 154 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2kbo h LYS 154 Cb 0.01 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.35 2kbo h LYS 154 CO 0.00 0.00 -1.05 1.25 -0.57 0.00 0.00 179.45 179.08 2kbo h HIS 155 N 0.00 0.83 -0.11 -1.35 2.76 -1.45 -2.74 115.15 113.08 2kbo h HIS 155 Ca 0.45 -0.54 0.03 0.00 -2.20 0.00 0.00 60.37 58.11 2kbo h HIS 155 Cb 2.50 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 31.39 2kbo h HIS 155 CO 0.00 1.39 0.26 0.00 -1.30 0.00 0.00 177.93 178.28 2kbo h TRP 157 N 0.00 0.00 -0.15 0.00 6.55 -1.36 -1.61 115.95 119.38 2kbo h TRP 157 Ca 0.05 0.00 0.04 0.00 0.95 0.00 0.00 58.89 59.94 2kbo h TRP 157 Cb 0.58 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.87 2kbo h TRP 157 CO 0.00 0.98 0.29 0.22 -1.05 0.00 0.00 178.44 178.88 2kbo h ASP 158 N -1.00 0.00 0.00 -3.49 3.58 -0.72 0.25 116.42 115.04 2kbo h ASP 158 Ca -0.12 0.00 -0.31 0.00 0.42 0.00 0.00 57.03 57.02 2kbo h ASP 158 Cb 0.95 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.95 2kbo h ASP 158 CO -0.07 0.00 -1.82 0.41 -2.88 0.00 0.00 179.24 174.88 2kbo n THR 159 N -3.35 1.52 -0.09 2.25 -1.04 0.17 -4.78 114.28 108.97 2kbo n THR 159 Ca 0.01 -0.17 -0.20 0.00 -2.04 0.00 0.00 64.05 61.65 2kbo n THR 159 Cb 0.39 -2.01 -0.12 0.00 -1.82 0.00 0.00 70.33 66.77 2kbo n THR 159 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2kbo n PHE 160 N -4.36 0.46 -2.24 -1.42 7.35 -0.61 -4.93 117.46 111.71 2kbo n PHE 160 Ca -0.40 0.11 -0.42 0.00 -0.76 0.00 0.00 57.45 55.97 2kbo n PHE 160 Cb 0.74 -1.06 -0.03 0.00 0.35 0.00 0.00 39.48 39.49 2kbo n PHE 160 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2kbo s VAL 161 N -2.53 3.55 -0.29 -2.13 1.01 0.85 -4.77 120.40 116.10 2kbo s VAL 161 Ca -0.31 1.09 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2kbo s VAL 161 Cb 0.09 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2kbo s VAL 161 CO 0.65 0.07 0.66 -0.67 0.00 0.00 0.00 175.10 175.80 2kbo n ASP 162 N 4.25 1.87 -2.95 3.32 2.03 -1.26 -3.58 116.55 120.23 2kbo n ASP 162 Ca 0.11 -1.55 -0.15 0.00 0.52 0.00 0.00 54.79 53.72 2kbo n ASP 162 Cb 0.43 -0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.44 2kbo n ASP 162 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2kbo n HIS 163 N 0.47 -2.06 0.13 -0.67 8.25 -1.26 -4.97 115.22 115.11 2kbo n HIS 163 Ca 0.00 -2.54 0.01 0.00 -0.26 0.00 0.00 57.72 54.93 2kbo n HIS 163 Cb 0.33 0.73 0.04 0.00 1.12 0.00 0.00 29.99 32.21 2kbo n HIS 163 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2kbo n GLN 164 N 1.64 0.02 -1.48 -0.41 6.02 -1.23 0.28 117.38 122.22 2kbo n GLN 164 Ca 0.15 0.39 -0.22 0.00 -0.01 0.00 0.00 57.00 57.32 2kbo n GLN 164 Cb 0.58 -2.19 0.09 0.00 1.02 0.00 0.00 30.24 29.74 2kbo n GLN 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbo n GLY 165 N -1.21 5.82 3.35 1.08 0.00 -1.26 -4.52 105.19 108.44 2kbo n GLY 165 Ca -0.00 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 2kbo n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbo n PRO 167 N 0.87 0.36 -1.33 0.00 -0.04 -1.26 -4.84 135.00 128.76 2kbo n PRO 167 Ca 0.10 0.07 -0.33 0.00 -0.04 0.00 0.00 63.50 63.31 2kbo n PRO 167 Cb 0.45 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.51 2kbo n PRO 167 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2kbo s PHE 168 N -2.49 2.21 0.05 0.54 2.19 -1.26 -5.05 117.98 114.16 2kbo s PHE 168 Ca 0.22 1.62 -0.01 0.00 0.33 0.00 0.00 56.93 59.09 2kbo s PHE 168 Cb 0.15 -3.29 -0.04 0.00 -1.31 0.00 0.00 43.02 38.53 2kbo s PHE 168 CO 0.32 -2.26 -0.03 -0.65 1.83 0.00 0.00 175.22 174.43 2kbo s GLN 169 N -4.30 0.59 0.08 10.12 -0.21 -1.26 -5.14 119.66 119.53 2kbo s GLN 169 Ca 0.68 -1.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 2kbo s GLN 169 Cb -0.23 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 2kbo s GLN 169 CO 0.49 -0.11 1.01 -1.25 -2.12 0.00 0.00 175.29 173.31 2kbo s PRO 170 N -3.76 4.61 0.12 2.91 0.04 -1.26 -5.06 135.00 132.61 2kbo s PRO 170 Ca 0.05 1.51 0.06 0.00 0.04 0.00 0.00 61.00 62.67 2kbo s PRO 170 Cb 0.07 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2kbo s PRO 170 CO -0.09 0.07 -0.04 1.67 0.04 0.00 0.00 177.00 178.64 2kbo s TRP 171 N 0.39 2.85 0.00 0.56 -2.14 -1.26 -4.98 118.94 114.36 2kbo s TRP 171 Ca 0.50 -0.11 0.00 0.00 2.66 0.00 0.00 56.10 59.16 2kbo s TRP 171 Cb -0.24 -1.46 0.00 0.00 -3.10 0.00 0.00 33.47 28.68 2kbo s TRP 171 CO 0.30 0.47 0.81 -0.25 -2.66 0.00 0.00 176.95 175.62 2kbo n ASP 172 N 0.44 2.17 0.00 -2.66 8.00 -1.26 -2.24 116.55 121.00 2kbo n ASP 172 Ca -0.11 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.84 2kbo n ASP 172 Cb 0.53 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2kbo n ASP 172 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kbo n GLY 173 N 1.75 0.00 0.51 0.44 0.00 -1.26 -4.65 105.19 101.97 2kbo n GLY 173 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.32 2kbo n GLY 173 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kbo n LEU 174 N -1.95 0.00 0.14 0.99 4.77 -0.95 0.49 117.00 120.49 2kbo n LEU 174 Ca 0.00 0.72 -0.06 0.00 -0.03 0.00 0.00 56.01 56.64 2kbo n LEU 174 Cb 0.43 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2kbo n LEU 174 CO 0.00 -0.72 0.42 -2.24 -1.33 0.00 0.00 177.39 173.52 2kbo h ASP 175 N 0.00 -0.32 -0.65 -1.43 2.03 -1.82 0.51 116.42 114.74 2kbo h ASP 175 Ca 0.53 0.01 0.11 0.00 -0.73 0.00 0.00 57.03 56.95 2kbo h ASP 175 Cb 2.77 0.08 -0.08 0.00 -0.83 0.00 0.00 39.33 41.27 2kbo h ASP 175 CO -0.01 -0.19 0.23 -0.08 -1.03 0.00 0.00 179.24 178.16 2kbo h GLU 176 N -0.44 0.38 0.89 4.15 4.81 -0.28 0.52 114.58 124.61 2kbo h GLU 176 Ca -0.04 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2kbo h GLU 176 Cb 0.29 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.59 2kbo h GLU 176 CO 0.06 0.25 -0.43 0.45 -0.73 0.00 0.00 179.01 178.61 2kbo h HIS 177 N 0.39 -1.11 0.31 0.92 3.86 -1.31 -1.83 115.15 116.38 2kbo h HIS 177 Ca 0.34 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 2kbo h HIS 177 Cb 0.46 0.37 -0.02 0.00 1.06 0.00 0.00 27.41 29.29 2kbo h HIS 177 CO -0.18 -0.69 -0.33 1.03 0.86 0.00 0.00 177.93 178.61 2kbo h SER 178 N -1.21 -0.91 -0.77 2.45 0.87 0.53 -1.56 113.55 112.95 2kbo h SER 178 Ca -0.12 0.07 0.12 0.00 -1.23 0.00 0.00 61.79 60.63 2kbo h SER 178 Cb 0.92 0.30 -0.13 0.00 -0.44 0.00 0.00 62.40 63.06 2kbo h SER 178 CO 0.20 -0.43 -0.30 1.67 -0.53 0.00 0.00 176.83 177.45 2kbo n GLN 179 N -4.38 -0.17 0.26 2.24 7.27 0.18 0.61 117.38 123.39 2kbo n GLN 179 Ca -0.08 1.19 -0.16 0.00 0.07 0.00 0.00 57.00 58.03 2kbo n GLN 179 Cb 0.30 -1.77 -0.09 0.00 2.41 0.00 0.00 30.24 31.09 2kbo n GLN 179 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 2kbo h ASP 180 N 0.00 -1.22 0.39 1.69 3.58 -0.95 0.53 116.42 120.44 2kbo h ASP 180 Ca 0.28 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.81 2kbo h ASP 180 Cb 0.47 0.40 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2kbo h ASP 180 CO -0.77 -0.59 -0.29 0.25 -2.88 0.00 0.00 179.24 174.96 2kbo h LEU 181 N -0.89 -0.75 0.02 2.28 6.46 0.23 -1.64 115.31 121.02 2kbo h LEU 181 Ca -0.06 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kbo h LEU 181 Cb 0.77 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 2kbo h LEU 181 CO -0.05 -0.44 -0.02 -1.28 -0.62 0.00 0.00 178.44 176.03 2kbo h SER 182 N -0.67 -0.06 -1.58 1.25 0.87 0.22 0.83 113.55 114.40 2kbo h SER 182 Ca -0.03 0.01 0.49 0.00 -1.23 0.00 0.00 61.79 61.02 2kbo h SER 182 Cb 0.58 0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.46 2kbo h SER 182 CO 0.00 -0.03 1.09 0.61 -0.53 0.00 0.00 176.83 177.97 2kbo n GLY 183 N -1.03 -0.85 0.03 5.77 0.00 0.19 -0.60 105.19 108.70 2kbo n GLY 183 Ca -0.01 0.67 -0.01 0.00 0.00 0.00 0.00 46.02 46.68 2kbo n GLY 183 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2kbo h ARG 184 N 0.00 -0.04 -0.89 1.61 2.47 -0.21 -1.38 114.38 115.95 2kbo h ARG 184 Ca 0.85 0.00 0.31 0.00 -1.26 0.00 0.00 59.98 59.88 2kbo h ARG 184 Cb 3.11 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 31.27 2kbo h ARG 184 CO -0.20 -0.03 0.26 -0.11 0.56 0.00 0.00 179.97 180.45 2kbo n LEU 185 N -2.97 0.11 0.20 3.04 7.94 0.28 0.24 117.00 125.84 2kbo n LEU 185 Ca -0.01 1.49 -0.09 0.00 -1.11 0.00 0.00 56.01 56.30 2kbo n LEU 185 Cb 0.02 -0.64 -0.04 0.00 0.53 0.00 0.00 43.42 43.29 2kbo n LEU 185 CO 0.01 -1.59 0.52 0.03 -1.11 0.00 0.00 177.39 175.25 2kbo h ARG 186 N 0.00 -0.52 -0.45 1.96 -0.00 -0.96 -2.07 114.38 112.34 2kbo h ARG 186 Ca 0.65 0.04 0.04 0.00 -0.50 0.00 0.00 59.98 60.21 2kbo h ARG 186 Cb 1.57 0.12 -0.06 0.00 0.00 0.00 0.00 29.97 31.60 2kbo h ARG 186 CO -0.75 -0.35 -0.33 0.00 0.00 0.00 0.00 179.97 178.54 2kbo h ALA 187 N -1.63 -0.41 -0.91 0.04 0.00 0.43 1.61 119.26 118.40 2kbo h ALA 187 Ca -0.05 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.12 2kbo h ALA 187 Cb 0.43 1.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 2kbo h ALA 187 CO 0.06 -0.62 0.44 -0.84 0.00 0.00 0.00 179.25 178.30 2kbo h ILE 188 N -0.08 0.53 0.28 0.00 -0.00 0.20 0.83 117.51 119.27 2kbo h ILE 188 Ca 0.07 -0.16 -0.01 0.00 -0.00 0.00 0.00 64.86 64.76 2kbo h ILE 188 Cb 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 36.82 37.11 2kbo h ILE 188 CO -0.46 0.09 -0.13 0.25 -0.00 0.00 0.00 178.15 177.89 2kbo h LEU 189 N 0.48 -0.32 -0.63 0.16 5.85 -0.21 -3.08 115.31 117.56 2kbo h LEU 189 Ca 0.56 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2kbo h LEU 189 Cb 1.03 0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2kbo h LEU 189 CO -0.49 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 177.78 2kbo n GLN 190 N -5.03 0.38 -2.26 1.25 6.02 0.53 -4.84 117.38 113.43 2kbo n GLN 190 Ca -0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 2kbo n GLN 190 Cb 0.22 -1.12 0.01 0.00 1.02 0.00 0.00 30.24 30.37 2kbo n GLN 190 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2kbo n ASN 191 N 0.01 -1.71 -4.55 1.08 5.15 0.28 -4.60 115.26 110.91 2kbo n ASN 191 Ca 0.00 -0.16 -0.37 0.00 -0.60 0.00 0.00 54.58 53.45 2kbo n ASN 191 Cb 0.06 -0.52 -0.03 0.00 -0.53 0.00 0.00 39.78 38.75 2kbo n ASN 191 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2kbo s GLN 192 N -1.67 2.23 0.41 1.20 -0.44 -0.86 -4.93 119.66 115.60 2kbo s GLN 192 Ca 0.08 1.36 -0.05 0.00 -2.50 0.00 0.00 55.36 54.25 2kbo s GLN 192 Cb -0.01 -4.55 0.07 0.00 -1.64 0.00 0.00 33.01 26.89 2kbo s GLN 192 CO 0.29 -3.14 0.17 0.39 0.50 0.00 0.00 175.29 173.50 2kbo n GLU 193 N 9.01 -0.28 0.00 1.67 1.02 -1.26 -5.06 120.64 125.75 2kbo n GLU 193 Ca 0.34 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2kbo n GLU 193 Cb 0.54 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.34 2kbo n GLU 193 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60