#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwm s ASP 2 N 0.00 5.98 0.08 4.38 2.15 -1.26 -4.95 116.67 123.05 1hwm s ASP 2 Ca 0.00 -0.88 0.01 0.00 0.43 0.00 0.00 52.55 52.11 1hwm s ASP 2 Cb 0.00 -2.11 -0.04 0.00 -0.30 0.00 0.00 42.92 40.47 1hwm s ASP 2 CO 0.00 -0.41 0.18 -0.31 -0.17 0.00 0.00 175.17 174.46 1hwm s TYR 3 N 1.64 3.41 1.05 -5.34 2.02 -1.26 -5.04 117.35 113.84 1hwm s TYR 3 Ca 0.04 0.18 -0.11 0.00 -0.37 0.00 0.00 57.07 56.81 1hwm s TYR 3 Cb -0.19 -1.70 0.22 0.00 -0.40 0.00 0.00 41.96 39.89 1hwm s TYR 3 CO 0.09 0.56 1.08 -0.35 -1.57 0.00 0.00 175.55 175.37 1hwm n PRO 4 N 0.24 -1.50 -4.15 -1.71 -0.04 -1.26 -4.69 135.00 121.89 1hwm n PRO 4 Ca -0.06 -0.39 -0.11 0.00 -0.04 0.00 0.00 63.50 62.90 1hwm n PRO 4 Cb 0.52 -2.27 -0.10 0.00 -0.04 0.00 0.00 33.50 31.60 1hwm n PRO 4 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1hwm s SER 5 N -2.52 1.08 -0.07 3.54 0.01 -1.26 -2.04 113.70 112.44 1hwm s SER 5 Ca 0.68 -0.92 -0.03 0.00 1.31 0.00 0.00 55.95 56.99 1hwm s SER 5 Cb -0.24 0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.11 1hwm s SER 5 CO 0.62 -0.42 0.07 0.68 0.41 0.00 0.00 173.24 174.60 1hwm s VAL 6 N -3.20 -0.09 0.17 3.43 -7.23 -0.81 -5.00 120.40 107.67 1hwm s VAL 6 Ca 0.08 0.28 0.09 0.00 -1.81 0.00 0.00 61.98 60.62 1hwm s VAL 6 Cb 0.02 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 1hwm s VAL 6 CO -0.04 0.07 -0.11 -0.94 -0.31 0.00 0.00 175.10 173.78 1hwm s SER 7 N 2.16 4.19 -0.12 4.85 1.04 -1.26 -1.09 113.70 123.47 1hwm s SER 7 Ca 0.04 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.85 1hwm s SER 7 Cb -0.13 -0.69 0.05 0.00 0.10 0.00 0.00 66.02 65.36 1hwm s SER 7 CO -0.04 0.11 0.12 0.12 0.98 0.00 0.00 173.24 174.53 1hwm s PHE 8 N -1.64 -0.02 -0.25 5.02 5.36 0.35 -4.92 117.98 121.87 1hwm s PHE 8 Ca 0.24 0.19 -0.12 0.00 -0.96 0.00 0.00 56.93 56.28 1hwm s PHE 8 Cb -0.09 -0.46 -0.05 0.00 -0.34 0.00 0.00 43.02 42.08 1hwm s PHE 8 CO 0.14 -0.38 0.23 1.21 -1.46 0.00 0.00 175.22 174.97 1hwm s ASN 9 N 2.22 6.14 0.31 6.13 3.84 -1.26 -2.24 114.94 130.08 1hwm s ASN 9 Ca 0.04 0.14 0.06 0.00 0.21 0.00 0.00 52.86 53.30 1hwm s ASN 9 Cb -0.14 -2.14 0.52 0.00 -0.55 0.00 0.00 41.25 38.94 1hwm s ASN 9 CO -0.07 -0.03 1.76 -0.07 -2.79 0.00 0.00 177.10 175.90 1hwm h LEU 10 N 8.00 0.32 -8.91 3.21 3.38 -1.72 -3.35 115.31 116.24 1hwm h LEU 10 Ca -0.36 -0.11 -0.61 0.00 0.09 0.00 0.00 57.88 56.90 1hwm h LEU 10 Cb 1.18 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1hwm h LEU 10 CO 0.62 0.61 1.44 0.00 0.09 0.00 0.00 178.44 181.20 1hwm n ALA 11 N -2.48 1.57 -2.30 1.53 0.00 -1.26 -1.44 120.51 116.12 1hwm n ALA 11 Ca -0.01 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 1hwm n ALA 11 Cb 0.40 -2.80 -0.01 0.00 0.00 0.00 0.00 19.45 17.04 1hwm n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hwm n GLY 12 N 5.82 -0.25 3.72 0.00 0.00 -1.26 -4.96 105.19 108.26 1hwm n GLY 12 Ca 0.32 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1hwm n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwm s ALA 13 N -2.92 3.30 0.56 4.61 0.00 -0.52 -5.07 121.76 121.72 1hwm s ALA 13 Ca 0.00 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.32 1hwm s ALA 13 Cb 0.00 -3.05 0.08 0.00 0.00 0.00 0.00 23.12 20.15 1hwm s ALA 13 CO 0.00 -0.09 0.76 0.15 0.00 0.00 0.00 175.76 176.58 1hwm s LYS 14 N 0.65 2.37 0.26 0.00 1.02 -1.26 -4.98 119.74 117.80 1hwm s LYS 14 Ca 0.41 -1.60 0.05 0.00 0.02 0.00 0.00 55.97 54.85 1hwm s LYS 14 Cb -0.19 -2.66 0.34 0.00 -0.52 0.00 0.00 37.83 34.80 1hwm s LYS 14 CO 0.21 -0.79 1.62 1.03 -0.92 0.00 0.00 175.35 176.50 1hwm h SER 15 N 0.23 0.27 0.19 2.83 0.87 -1.90 -2.67 113.55 113.38 1hwm h SER 15 Ca -0.31 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.11 1hwm h SER 15 Cb 1.29 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1hwm h SER 15 CO 0.41 0.74 -0.09 0.71 -0.53 0.00 0.00 176.83 178.07 1hwm h THR 16 N 0.19 0.90 -0.73 2.23 1.35 -1.95 -1.61 112.91 113.30 1hwm h THR 16 Ca 0.01 -0.54 0.13 0.00 -0.55 0.00 0.00 66.41 65.46 1hwm h THR 16 Cb 0.97 1.22 -0.09 0.00 -1.73 0.00 0.00 68.15 68.52 1hwm h THR 16 CO 0.08 0.12 0.29 0.71 -0.25 0.00 0.00 175.52 176.47 1hwm h THR 17 N -0.53 0.69 -0.28 6.82 1.35 -1.94 0.70 112.91 119.72 1hwm h THR 17 Ca -0.03 -0.15 0.03 0.00 -0.55 0.00 0.00 66.41 65.71 1hwm h THR 17 Cb 0.40 0.20 -0.03 0.00 -1.73 0.00 0.00 68.15 66.99 1hwm h THR 17 CO 0.04 0.08 0.10 0.22 -0.25 0.00 0.00 175.52 175.72 1hwm h TYR 18 N 0.45 0.18 -0.42 4.73 3.20 -1.34 -0.34 116.97 123.43 1hwm h TYR 18 Ca 0.39 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.34 1hwm h TYR 18 Cb 0.56 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 1hwm h TYR 18 CO -0.16 0.08 0.08 -0.09 -1.64 0.00 0.00 178.16 176.43 1hwm h ARG 19 N 0.23 0.20 -0.67 1.82 2.43 0.03 -0.51 114.38 117.90 1hwm h ARG 19 Ca 0.13 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1hwm h ARG 19 Cb 0.09 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1hwm h ARG 19 CO -0.13 0.13 0.44 -0.44 -1.51 0.00 0.00 179.97 178.47 1hwm h ASP 20 N 0.20 0.70 0.34 -3.80 3.32 -0.29 -2.09 116.42 114.81 1hwm h ASP 20 Ca 0.20 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1hwm h ASP 20 Cb 0.26 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1hwm h ASP 20 CO -0.27 0.49 -0.16 0.15 -1.72 0.00 0.00 179.24 177.72 1hwm h PHE 21 N 0.82 -0.42 0.00 4.55 3.57 0.48 -1.89 116.94 124.05 1hwm h PHE 21 Ca 0.27 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1hwm h PHE 21 Cb 0.04 0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1hwm h PHE 21 CO -0.00 -0.18 0.00 -0.07 -2.23 0.00 0.00 178.31 175.83 1hwm h LEU 22 N -0.59 0.00 0.02 0.59 3.38 -0.97 -1.48 115.31 116.26 1hwm h LEU 22 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1hwm h LEU 22 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1hwm h LEU 22 CO 0.08 0.00 -0.01 0.50 0.09 0.00 0.00 178.44 179.10 1hwm h LYS 23 N 0.00 -0.03 -0.65 1.13 3.11 -0.73 -2.99 116.57 116.41 1hwm h LYS 23 Ca 0.00 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.87 1hwm h LYS 23 Cb 0.07 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.27 1hwm h LYS 23 CO 0.00 0.54 0.43 -0.91 -2.81 0.00 0.00 179.45 176.70 1hwm h ASN 24 N -0.98 0.67 0.03 4.20 2.35 -0.84 -2.14 115.58 118.87 1hwm h ASN 24 Ca -0.00 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1hwm h ASN 24 Cb 0.58 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1hwm h ASN 24 CO 0.00 0.46 -0.08 0.25 -1.65 0.00 0.00 177.43 176.42 1hwm h LEU 25 N 0.78 -0.23 -0.43 1.61 5.85 -1.38 -1.52 115.31 119.99 1hwm h LEU 25 Ca 0.26 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1hwm h LEU 25 Cb 0.07 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1hwm h LEU 25 CO -0.07 -0.12 0.21 0.03 -0.34 0.00 0.00 178.44 178.14 1hwm h ARG 26 N -0.16 0.62 -0.43 1.25 3.08 -1.28 -2.90 114.38 114.57 1hwm h ARG 26 Ca 0.02 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1hwm h ARG 26 Cb 0.18 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1hwm h ARG 26 CO -0.06 0.53 0.18 -0.44 -1.07 0.00 0.00 179.97 179.11 1hwm h ASP 27 N 0.55 0.23 -0.91 7.04 5.19 -1.26 0.23 116.42 127.50 1hwm h ASP 27 Ca 0.15 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.67 1hwm h ASP 27 Cb 0.12 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.56 1hwm h ASP 27 CO -0.02 0.17 0.57 0.03 -3.12 0.00 0.00 179.24 176.87 1hwm h ARG 28 N 0.37 0.97 0.00 3.56 2.47 -1.09 -3.00 114.38 117.66 1hwm h ARG 28 Ca 0.19 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.80 1hwm h ARG 28 Cb 0.15 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1hwm h ARG 28 CO -0.17 0.64 -1.35 1.33 0.56 0.00 0.00 179.97 180.98 1hwm n VAL 29 N -4.61 0.66 0.23 2.04 0.24 -1.04 -4.10 118.33 111.74 1hwm n VAL 29 Ca 0.14 -0.58 -0.06 0.00 -2.04 0.00 0.00 64.34 61.79 1hwm n VAL 29 Cb 0.21 -0.37 0.08 0.00 -1.47 0.00 0.00 33.84 32.30 1hwm n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hwm n ALA 30 N -2.27 3.49 -2.12 2.33 0.00 0.79 -4.74 120.51 117.99 1hwm n ALA 30 Ca -0.04 -0.96 -0.38 0.00 0.00 0.00 0.00 53.44 52.05 1hwm n ALA 30 Cb 0.64 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 1hwm n ALA 30 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1hwm s THR 31 N -1.27 4.56 -0.97 0.00 -1.32 -1.22 -4.27 115.64 111.15 1hwm s THR 31 Ca 0.20 1.38 -0.05 0.00 -1.21 0.00 0.00 61.69 62.02 1hwm s THR 31 Cb 0.17 -3.96 -0.05 0.00 -1.51 0.00 0.00 72.50 67.15 1hwm s THR 31 CO 0.04 0.40 0.85 0.61 -2.21 0.00 0.00 174.62 174.31 1hwm n GLY 32 N 1.27 -1.18 3.08 6.08 0.00 -1.26 -4.84 105.19 108.33 1hwm n GLY 32 Ca -0.06 0.55 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 1hwm n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hwm s THR 33 N -3.28 0.07 -0.14 2.61 2.01 -1.26 -4.76 115.64 110.89 1hwm s THR 33 Ca 0.33 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 1hwm s THR 33 Cb -0.05 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1hwm s THR 33 CO 0.75 -0.32 0.12 -0.72 -0.69 0.00 0.00 174.62 173.76 1hwm s TYR 34 N -1.13 3.50 0.20 4.92 -0.85 -1.26 -4.96 117.35 117.76 1hwm s TYR 34 Ca -0.12 0.43 0.08 0.00 -0.52 0.00 0.00 57.07 56.94 1hwm s TYR 34 Cb -0.07 -1.98 -0.04 0.00 0.38 0.00 0.00 41.96 40.25 1hwm s TYR 34 CO 0.01 0.58 -0.01 -1.83 -1.52 0.00 0.00 175.55 172.79 1hwm s GLU 35 N -0.63 2.35 -0.15 -3.49 -1.05 -1.26 -3.25 118.70 111.21 1hwm s GLU 35 Ca 0.13 -1.20 0.02 0.00 -0.15 0.00 0.00 54.97 53.76 1hwm s GLU 35 Cb -0.12 -2.29 0.01 0.00 -0.44 0.00 0.00 34.13 31.29 1hwm s GLU 35 CO 0.02 0.43 -0.20 0.08 0.95 0.00 0.00 175.26 176.54 1hwm s VAL 36 N -1.88 2.24 -1.84 1.83 1.01 0.56 -4.63 120.40 117.69 1hwm s VAL 36 Ca 0.28 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1hwm s VAL 36 Cb -0.08 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1hwm s VAL 36 CO 0.19 0.54 0.00 0.59 0.00 0.00 0.00 175.10 176.41 1hwm n ASN 37 N 4.09 -5.49 0.00 3.32 3.02 -1.26 -1.07 115.26 117.86 1hwm n ASN 37 Ca -0.20 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1hwm n ASN 37 Cb 0.52 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1hwm n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hwm n GLY 38 N -0.76 1.99 3.71 7.41 0.00 -1.26 -5.04 105.19 111.24 1hwm n GLY 38 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1hwm n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hwm s LEU 39 N 0.00 4.19 0.42 0.99 1.43 -0.24 -5.00 118.68 120.47 1hwm s LEU 39 Ca 0.00 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.15 1hwm s LEU 39 Cb 0.00 -2.19 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 1hwm s LEU 39 CO 0.00 0.11 1.06 -2.84 0.23 0.00 0.00 176.35 174.91 1hwm s PRO 40 N 0.64 4.06 -0.36 1.29 0.02 -1.26 -0.32 135.00 139.08 1hwm s PRO 40 Ca 0.11 1.51 -0.09 0.00 0.02 0.00 0.00 61.00 62.55 1hwm s PRO 40 Cb -0.12 -2.45 0.03 0.00 0.02 0.00 0.00 34.50 31.98 1hwm s PRO 40 CO 0.02 -0.23 0.16 0.08 -0.33 0.00 0.00 177.00 176.70 1hwm s VAL 41 N -1.70 4.23 0.04 3.83 1.01 -1.20 -0.64 120.40 125.96 1hwm s VAL 41 Ca 0.60 -0.96 -0.38 0.00 0.00 0.00 0.00 61.98 61.24 1hwm s VAL 41 Cb -0.22 -3.37 -0.19 0.00 0.00 0.00 0.00 36.38 32.60 1hwm s VAL 41 CO 0.27 -0.20 0.99 0.18 0.00 0.00 0.00 175.10 176.33 1hwm n LEU 42 N 4.92 -0.16 -4.60 3.92 4.77 -0.44 -4.70 117.00 120.71 1hwm n LEU 42 Ca -0.12 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.58 1hwm n LEU 42 Cb 0.46 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1hwm n LEU 42 CO 0.34 -2.06 0.59 0.54 -1.33 0.00 0.00 177.39 175.47 1hwm n ARG 43 N 1.44 1.40 -0.73 3.23 1.74 -1.26 -4.19 116.66 118.30 1hwm n ARG 43 Ca 0.20 0.50 -0.30 0.00 -0.77 0.00 0.00 57.85 57.47 1hwm n ARG 43 Cb 0.11 -1.93 0.19 0.00 -1.02 0.00 0.00 32.46 29.81 1hwm n ARG 43 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1hwm s ARG 44 N -1.71 0.47 0.08 5.56 0.52 -1.26 -4.48 118.95 118.14 1hwm s ARG 44 Ca 0.60 1.23 -0.21 0.00 -0.52 0.00 0.00 55.73 56.83 1hwm s ARG 44 Cb -0.64 -1.69 -0.11 0.00 0.52 0.00 0.00 34.95 33.03 1hwm s ARG 44 CO 0.59 -2.90 1.60 1.49 0.02 0.00 0.00 175.30 176.11 1hwm h GLU 45 N -2.05 0.24 -3.48 3.54 4.81 -1.92 -3.24 114.58 112.48 1hwm h GLU 45 Ca -0.50 -0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.04 1hwm h GLU 45 Cb 1.29 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.64 1hwm h GLU 45 CO 0.46 0.34 3.38 -1.13 -0.73 0.00 0.00 179.01 181.33 1hwm n SER 46 N -4.85 6.29 0.00 1.04 3.41 -1.26 -2.87 113.62 115.38 1hwm n SER 46 Ca -0.05 -2.64 0.00 0.00 -0.26 0.00 0.00 58.87 55.92 1hwm n SER 46 Cb 0.13 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.57 1hwm n SER 46 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1hwm n GLU 47 N 4.72 0.00 -2.92 4.33 -0.00 -1.22 -5.10 120.64 120.45 1hwm n GLU 47 Ca 0.64 0.00 -0.43 0.00 -0.00 0.00 0.00 57.16 57.37 1hwm n GLU 47 Cb 0.28 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.67 1hwm n GLU 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1hwm s VAL 48 N -0.43 4.61 0.25 3.84 1.01 -1.14 -5.02 120.40 123.53 1hwm s VAL 48 Ca 0.00 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1hwm s VAL 48 Cb 0.00 -4.34 -0.10 0.00 0.00 0.00 0.00 36.38 31.95 1hwm s VAL 48 CO 0.00 -0.70 1.39 0.00 0.00 0.00 0.00 175.10 175.79 1hwm s GLN 49 N 3.40 4.31 0.36 2.72 1.03 -1.26 -4.81 119.66 125.40 1hwm s GLN 49 Ca 0.32 2.23 0.22 0.00 0.04 0.00 0.00 55.36 58.17 1hwm s GLN 49 Cb -0.12 -3.12 1.28 0.00 0.03 0.00 0.00 33.01 31.08 1hwm s GLN 49 CO 0.23 -0.34 1.45 1.33 -2.54 0.00 0.00 175.29 175.42 1hwm n VAL 50 N 2.11 -0.35 0.33 3.63 0.24 -1.26 0.26 118.33 123.29 1hwm n VAL 50 Ca 0.05 1.82 0.21 0.00 -2.04 0.00 0.00 64.34 64.39 1hwm n VAL 50 Cb 0.41 -2.96 1.14 0.00 -1.47 0.00 0.00 33.84 30.96 1hwm n VAL 50 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1hwm h LYS 51 N 0.00 0.00 -0.69 7.34 3.64 -1.99 -2.65 116.57 122.22 1hwm h LYS 51 Ca 0.79 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.80 1hwm h LYS 51 Cb 2.20 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 33.61 1hwm h LYS 51 CO -0.64 0.00 -1.01 0.09 -2.27 0.00 0.00 179.45 175.61 1hwm n ASN 52 N -3.09 2.76 -0.10 4.20 5.03 0.14 -4.82 115.26 119.37 1hwm n ASN 52 Ca -0.03 -2.74 -0.11 0.00 0.87 0.00 0.00 54.58 52.57 1hwm n ASN 52 Cb 0.13 -0.45 -0.15 0.00 -1.02 0.00 0.00 39.78 38.29 1hwm n ASN 52 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 1hwm n ARG 53 N -0.55 0.68 -4.82 3.52 3.00 -1.00 -4.75 116.66 112.75 1hwm n ARG 53 Ca 0.20 0.01 -0.30 0.00 -0.00 0.00 0.00 57.85 57.76 1hwm n ARG 53 Cb 0.84 -1.52 -0.14 0.00 0.00 0.00 0.00 32.46 31.64 1hwm n ARG 53 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1hwm s PHE 54 N -2.49 2.37 -0.06 -0.14 0.40 -1.26 -0.06 117.98 116.73 1hwm s PHE 54 Ca -0.13 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1hwm s PHE 54 Cb 0.06 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 42.19 1hwm s PHE 54 CO 0.80 0.17 -0.23 0.08 0.70 0.00 0.00 175.22 176.73 1hwm s VAL 55 N -0.85 1.94 -0.09 -0.44 1.01 -0.75 -4.60 120.40 116.62 1hwm s VAL 55 Ca 0.12 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 1hwm s VAL 55 Cb -0.10 -1.65 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1hwm s VAL 55 CO 0.03 0.54 0.41 -0.76 0.00 0.00 0.00 175.10 175.32 1hwm s LEU 56 N -0.03 4.33 -0.17 3.92 1.43 -0.86 -1.38 118.68 125.93 1hwm s LEU 56 Ca -0.07 0.79 -0.03 0.00 -1.03 0.00 0.00 54.13 53.79 1hwm s LEU 56 Cb -0.14 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 1hwm s LEU 56 CO 0.04 0.12 -0.05 -0.69 0.23 0.00 0.00 176.35 176.00 1hwm s VAL 57 N 0.07 3.64 -0.32 -1.59 1.01 0.04 -1.93 120.40 121.31 1hwm s VAL 57 Ca 0.23 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 1hwm s VAL 57 Cb -0.15 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.68 1hwm s VAL 57 CO 0.10 0.48 0.06 -0.13 0.00 0.00 0.00 175.10 175.61 1hwm s ARG 58 N 0.61 2.54 -0.16 2.72 0.52 -0.25 -1.69 118.95 123.26 1hwm s ARG 58 Ca -0.03 -1.22 -0.01 0.00 -0.52 0.00 0.00 55.73 53.95 1hwm s ARG 58 Cb -0.15 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 1hwm s ARG 58 CO 0.03 -0.65 -0.10 -0.51 0.02 0.00 0.00 175.30 174.09 1hwm s LEU 59 N 1.34 2.80 -0.10 2.53 1.43 -0.98 -0.50 118.68 125.21 1hwm s LEU 59 Ca -0.03 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 1hwm s LEU 59 Cb -0.20 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 1hwm s LEU 59 CO 0.01 0.12 -0.15 -0.89 0.23 0.00 0.00 176.35 175.67 1hwm s THR 60 N 0.64 2.91 0.51 5.49 2.01 -0.95 -1.46 115.64 124.79 1hwm s THR 60 Ca -0.06 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 1hwm s THR 60 Cb -0.15 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1hwm s THR 60 CO 0.03 0.55 0.81 0.54 -0.69 0.00 0.00 174.62 175.86 1hwm s ASN 61 N -0.03 6.04 0.43 3.53 2.20 0.63 -2.04 114.94 125.71 1hwm s ASN 61 Ca -0.04 0.82 0.31 0.00 -0.94 0.00 0.00 52.86 53.01 1hwm s ASN 61 Cb -0.14 -2.04 1.47 0.00 -2.00 0.00 0.00 41.25 38.53 1hwm s ASN 61 CO 0.04 -0.73 1.59 1.88 -2.94 0.00 0.00 177.10 176.94 1hwm h TYR 62 N 0.12 0.55 -0.31 1.54 0.99 -1.89 0.25 116.97 118.22 1hwm h TYR 62 Ca -0.46 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1hwm h TYR 62 Cb 1.22 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.82 1hwm h TYR 62 CO 0.54 -0.30 0.00 0.09 -0.00 0.00 0.00 178.16 178.49 1hwm n ASN 63 N -4.80 2.65 0.00 3.88 5.03 -1.26 -4.82 115.26 115.95 1hwm n ASN 63 Ca 0.40 -2.25 0.00 0.00 0.87 0.00 0.00 54.58 53.60 1hwm n ASN 63 Cb 1.51 -0.44 0.00 0.00 -1.02 0.00 0.00 39.78 39.84 1hwm n ASN 63 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1hwm n GLY 64 N 0.63 1.38 3.75 7.41 0.00 0.87 -5.04 105.19 114.18 1hwm n GLY 64 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1hwm n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1hwm s ASP 65 N -2.58 6.53 -0.15 1.61 -0.00 -1.25 -4.73 116.67 116.10 1hwm s ASP 65 Ca 0.00 2.78 0.01 0.00 -0.00 0.00 0.00 52.55 55.34 1hwm s ASP 65 Cb 0.00 -2.63 0.02 0.00 -0.00 0.00 0.00 42.92 40.31 1hwm s ASP 65 CO 0.00 -0.80 -0.16 -0.89 -0.00 0.00 0.00 175.17 173.32 1hwm s THR 66 N 0.07 1.70 -0.12 -1.27 2.01 -1.26 -0.27 115.64 116.50 1hwm s THR 66 Ca 0.62 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1hwm s THR 66 Cb -0.44 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1hwm s THR 66 CO 0.44 0.48 -0.14 -0.69 -0.69 0.00 0.00 174.62 174.02 1hwm s VAL 67 N 1.38 2.98 -0.14 3.82 1.01 -0.53 -4.68 120.40 124.25 1hwm s VAL 67 Ca 0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1hwm s VAL 67 Cb -0.13 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1hwm s VAL 67 CO -0.10 0.54 -0.06 -0.89 0.00 0.00 0.00 175.10 174.59 1hwm s THR 68 N 0.21 3.73 -0.03 3.92 2.01 -0.70 -2.32 115.64 122.45 1hwm s THR 68 Ca -0.09 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 61.56 1hwm s THR 68 Cb -0.15 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1hwm s THR 68 CO 0.05 0.52 -0.24 -0.94 -0.69 0.00 0.00 174.62 173.32 1hwm s SER 69 N 0.17 2.84 -0.26 3.53 1.04 -0.68 -0.20 113.70 120.15 1hwm s SER 69 Ca -0.03 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 1hwm s SER 69 Cb -0.14 -0.46 -0.05 0.00 0.10 0.00 0.00 66.02 65.48 1hwm s SER 69 CO 0.03 0.28 0.17 0.00 0.98 0.00 0.00 173.24 174.69 1hwm s ALA 70 N -0.43 3.51 -0.14 5.32 0.00 0.94 -0.78 121.76 130.17 1hwm s ALA 70 Ca 0.05 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 1hwm s ALA 70 Cb -0.10 -2.38 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 1hwm s ALA 70 CO 0.00 -0.43 0.02 0.14 0.00 0.00 0.00 175.76 175.49 1hwm s VAL 71 N 1.53 4.43 -0.22 0.00 -7.23 -0.48 -0.89 120.40 117.54 1hwm s VAL 71 Ca 0.07 -0.18 -0.29 0.00 -1.81 0.00 0.00 61.98 59.77 1hwm s VAL 71 Cb -0.15 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 1hwm s VAL 71 CO 0.08 0.52 1.43 -0.62 -0.31 0.00 0.00 175.10 176.21 1hwm s ASP 72 N -0.11 6.63 0.62 4.85 -1.08 0.11 -1.81 116.67 125.88 1hwm s ASP 72 Ca 0.05 1.55 0.35 0.00 -0.52 0.00 0.00 52.55 53.98 1hwm s ASP 72 Cb -0.12 -2.54 2.02 0.00 -1.46 0.00 0.00 42.92 40.82 1hwm s ASP 72 CO 0.02 -1.05 2.28 0.58 0.52 0.00 0.00 175.17 177.51 1hwm h VAL 73 N 5.88 0.33 0.00 1.11 2.07 -0.80 0.58 116.25 125.43 1hwm h VAL 73 Ca -0.30 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.10 1hwm h VAL 73 Cb 1.12 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1hwm h VAL 73 CO 1.00 0.00 -0.58 0.71 0.02 0.00 0.00 177.57 178.72 1hwm h THR 74 N 0.00 1.09 0.00 2.57 1.35 -1.78 -3.37 112.91 112.76 1hwm h THR 74 Ca 0.01 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 1hwm h THR 74 Cb 0.05 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1hwm h THR 74 CO -0.00 0.57 0.00 -0.46 -0.25 0.00 0.00 175.52 175.38 1hwm n ASN 75 N -3.37 0.39 -2.29 5.36 0.23 -1.03 -4.60 115.26 109.96 1hwm n ASN 75 Ca 0.01 -1.15 -0.18 0.00 -0.53 0.00 0.00 54.58 52.73 1hwm n ASN 75 Cb 0.71 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.39 1hwm n ASN 75 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1hwm n LEU 76 N -0.08 -1.61 -4.87 -4.53 4.77 0.20 -4.95 117.00 105.93 1hwm n LEU 76 Ca 0.00 0.11 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 1hwm n LEU 76 Cb 0.35 -2.65 -0.05 0.00 -2.33 0.00 0.00 43.42 38.74 1hwm n LEU 76 CO 0.00 -0.30 0.21 -0.31 -1.33 0.00 0.00 177.39 175.66 1hwm s TYR 77 N -2.84 3.45 -0.22 -1.77 1.51 -1.18 -4.82 117.35 111.48 1hwm s TYR 77 Ca 0.00 0.88 -0.23 0.00 -1.01 0.00 0.00 57.07 56.72 1hwm s TYR 77 Cb 0.00 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1hwm s TYR 77 CO 0.00 0.30 0.72 -1.17 -1.11 0.00 0.00 175.55 174.30 1hwm s LEU 78 N -2.68 4.10 -0.03 -1.29 0.20 -1.26 0.08 118.68 117.80 1hwm s LEU 78 Ca 0.45 0.91 0.14 0.00 0.69 0.00 0.00 54.13 56.33 1hwm s LEU 78 Cb -0.12 -3.03 -0.22 0.00 -0.43 0.00 0.00 46.19 42.40 1hwm s LEU 78 CO 0.21 -0.40 0.29 0.55 -0.29 0.00 0.00 176.35 176.71 1hwm n VAL 79 N 5.03 0.12 -3.58 1.68 3.14 -0.07 -4.95 118.33 119.70 1hwm n VAL 79 Ca 0.02 -0.36 -0.05 0.00 -2.96 0.00 0.00 64.34 60.99 1hwm n VAL 79 Cb 0.49 0.06 -0.02 0.00 -1.06 0.00 0.00 33.84 33.31 1hwm n VAL 79 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hwm s ALA 80 N -2.93 -2.02 -0.01 1.55 0.00 -1.21 -4.17 121.76 112.98 1hwm s ALA 80 Ca -0.06 1.35 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 1hwm s ALA 80 Cb 0.09 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1hwm s ALA 80 CO 0.60 -0.67 0.22 -0.59 0.00 0.00 0.00 175.76 175.32 1hwm s PHE 81 N -2.60 -0.06 0.04 0.00 -0.12 -0.97 -0.04 117.98 114.22 1hwm s PHE 81 Ca 0.09 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.04 1hwm s PHE 81 Cb -0.01 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.38 1hwm s PHE 81 CO -0.05 -0.33 -0.07 -1.54 -0.05 0.00 0.00 175.22 173.17 1hwm s SER 82 N -1.35 0.78 -0.21 1.98 1.04 0.73 0.05 113.70 116.72 1hwm s SER 82 Ca -0.14 -0.51 -0.22 0.00 0.48 0.00 0.00 55.95 55.56 1hwm s SER 82 Cb -0.06 0.03 0.06 0.00 0.10 0.00 0.00 66.02 66.15 1hwm s SER 82 CO 0.03 -0.19 0.62 0.00 0.98 0.00 0.00 173.24 174.67 1hwm s ALA 83 N -1.29 -1.53 -1.13 5.32 0.00 0.13 -1.73 121.76 121.53 1hwm s ALA 83 Ca -0.10 1.67 -0.25 0.00 0.00 0.00 0.00 51.96 53.28 1hwm s ALA 83 Cb -0.09 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.15 1hwm s ALA 83 CO 0.00 -0.30 0.72 0.09 0.00 0.00 0.00 175.76 176.27 1hwm n ASN 84 N 2.54 -4.81 0.00 0.00 3.02 -1.26 -1.67 115.26 113.07 1hwm n ASN 84 Ca -0.14 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 1hwm n ASN 84 Cb 0.56 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.28 1hwm n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hwm n GLY 85 N -1.88 2.28 3.90 7.41 0.00 -1.26 -4.98 105.19 110.67 1hwm n GLY 85 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.63 1hwm n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hwm s ASN 86 N -0.71 6.13 0.06 1.61 0.01 -0.67 -0.22 114.94 121.16 1hwm s ASN 86 Ca 0.00 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.29 1hwm s ASN 86 Cb 0.00 -1.80 -0.03 0.00 0.41 0.00 0.00 41.25 39.83 1hwm s ASN 86 CO 0.00 0.08 -0.08 -0.94 -1.51 0.00 0.00 177.10 174.65 1hwm s SER 87 N -3.05 1.00 0.01 -1.22 1.04 0.23 0.19 113.70 111.90 1hwm s SER 87 Ca 0.34 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1hwm s SER 87 Cb -0.11 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1hwm s SER 87 CO 0.27 -0.25 -0.09 -0.31 0.98 0.00 0.00 173.24 173.83 1hwm s TYR 88 N -1.91 0.80 0.08 5.02 1.51 0.11 0.42 117.35 123.39 1hwm s TYR 88 Ca -0.04 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 1hwm s TYR 88 Cb -0.06 -0.50 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1hwm s TYR 88 CO -0.01 -0.01 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.22 1hwm s PHE 89 N -0.46 1.29 0.78 2.71 0.40 0.52 -2.30 117.98 120.91 1hwm s PHE 89 Ca 0.01 -0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 55.74 1hwm s PHE 89 Cb -0.05 -0.71 0.06 0.00 0.51 0.00 0.00 43.02 42.83 1hwm s PHE 89 CO 0.00 0.08 1.10 -0.06 0.70 0.00 0.00 175.22 177.04 1hwm s PHE 90 N -1.49 2.92 0.36 0.36 0.08 -1.26 0.66 117.98 119.61 1hwm s PHE 90 Ca 0.01 1.14 0.09 0.00 0.12 0.00 0.00 56.93 58.29 1hwm s PHE 90 Cb -0.09 -3.11 0.83 0.00 -0.57 0.00 0.00 43.02 40.08 1hwm s PHE 90 CO 0.02 -1.66 1.89 -0.22 -0.10 0.00 0.00 175.22 175.15 1hwm h LYS 91 N -1.01 0.66 0.00 0.44 3.64 -1.13 -0.34 116.57 118.82 1hwm h LYS 91 Ca -0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1hwm h LYS 91 Cb 1.26 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1hwm h LYS 91 CO 0.60 0.43 0.00 -0.40 -2.27 0.00 0.00 179.45 177.81 1hwm n ASP 92 N -4.54 0.00 -4.36 4.20 5.75 -1.26 -4.91 116.55 111.43 1hwm n ASP 92 Ca 0.16 -0.61 -0.62 0.00 -0.01 0.00 0.00 54.79 53.71 1hwm n ASP 92 Cb 0.44 -0.11 -0.09 0.00 -1.03 0.00 0.00 41.12 40.33 1hwm n ASP 92 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hwm n ALA 93 N -1.11 -1.20 -1.97 2.12 0.00 -0.14 -4.90 120.51 113.30 1hwm n ALA 93 Ca 0.19 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 53.71 1hwm n ALA 93 Cb 0.15 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 1hwm n ALA 93 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1hwm s THR 94 N 2.86 4.43 0.34 0.00 -4.23 -1.26 -4.94 115.64 112.83 1hwm s THR 94 Ca 0.97 1.50 0.14 0.00 -1.18 0.00 0.00 61.69 63.12 1hwm s THR 94 Cb -1.38 -3.92 0.35 0.00 1.34 0.00 0.00 72.50 68.89 1hwm s THR 94 CO 0.75 0.18 1.61 -0.08 -0.54 0.00 0.00 174.62 176.54 1hwm h GLU 95 N 3.32 0.13 -0.73 3.99 4.57 -2.01 0.28 114.58 124.13 1hwm h GLU 95 Ca -0.47 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 57.86 1hwm h GLU 95 Cb 1.19 -0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 29.63 1hwm h GLU 95 CO 0.65 0.09 0.10 1.25 -1.18 0.00 0.00 179.01 179.91 1hwm h LEU 96 N 0.13 -0.15 0.00 1.64 6.46 -1.98 0.13 115.31 121.55 1hwm h LEU 96 Ca 0.74 0.17 0.00 0.00 -0.12 0.00 0.00 57.88 58.67 1hwm h LEU 96 Cb 1.78 0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.98 1hwm h LEU 96 CO -0.72 -0.11 0.00 0.00 -0.62 0.00 0.00 178.44 176.99 1hwm n GLN 97 N -5.25 0.00 -0.25 1.25 3.00 0.99 -2.11 117.38 115.02 1hwm n GLN 97 Ca 0.14 0.34 0.06 0.00 -0.01 0.00 0.00 57.00 57.53 1hwm n GLN 97 Cb 0.47 -1.30 0.18 0.00 0.00 0.00 0.00 30.24 29.59 1hwm n GLN 97 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1hwm h LYS 98 N 0.00 0.17 -0.55 -1.09 1.57 -1.57 0.23 116.57 115.33 1hwm h LYS 98 Ca 0.00 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1hwm h LYS 98 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1hwm h LYS 98 CO 0.00 0.11 0.38 1.03 -0.57 0.00 0.00 179.45 180.40 1hwm h SER 99 N 0.17 0.20 0.00 0.86 0.87 -0.75 -3.20 113.55 111.70 1hwm h SER 99 Ca 0.42 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1hwm h SER 99 Cb 0.76 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1hwm h SER 99 CO -0.60 0.11 -0.44 0.59 -0.53 0.00 0.00 176.83 175.97 1hwm n ASN 100 N -4.44 1.15 -4.87 6.23 4.13 -0.35 -4.97 115.26 112.15 1hwm n ASN 100 Ca 0.09 -0.45 -0.35 0.00 1.68 0.00 0.00 54.58 55.56 1hwm n ASN 100 Cb 0.46 1.05 -0.06 0.00 -1.54 0.00 0.00 39.78 39.69 1hwm n ASN 100 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1hwm s LEU 101 N -2.46 4.27 -1.64 3.41 1.43 0.67 -3.77 118.68 120.60 1hwm s LEU 101 Ca 0.01 0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.36 1hwm s LEU 101 Cb 0.03 -2.30 0.10 0.00 0.03 0.00 0.00 46.19 44.04 1hwm s LEU 101 CO 0.17 0.33 0.43 0.49 0.23 0.00 0.00 176.35 178.00 1hwm n PHE 102 N 1.47 -1.45 -1.99 0.29 3.01 -1.26 -4.81 117.46 112.71 1hwm n PHE 102 Ca -0.15 0.71 -0.42 0.00 1.01 0.00 0.00 57.45 58.60 1hwm n PHE 102 Cb 0.54 -2.83 -0.03 0.00 -0.01 0.00 0.00 39.48 37.14 1hwm n PHE 102 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1hwm s LEU 103 N -7.23 4.37 0.00 4.37 1.43 -1.26 -2.32 118.68 118.04 1hwm s LEU 103 Ca 0.38 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 1hwm s LEU 103 Cb -0.22 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1hwm s LEU 103 CO 0.96 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1hwm n GLY 104 N 3.29 0.90 3.24 -3.19 0.00 -1.26 -5.06 105.19 103.10 1hwm n GLY 104 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1hwm n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hwm s THR 105 N -2.00 1.65 -0.34 2.61 -4.23 -0.98 -5.01 115.64 107.34 1hwm s THR 105 Ca 0.00 -1.14 -0.28 0.00 -1.18 0.00 0.00 61.69 59.09 1hwm s THR 105 Cb 0.00 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 1hwm s THR 105 CO 0.00 0.24 1.89 -0.89 -0.54 0.00 0.00 174.62 175.33 1hwm s THR 106 N -0.75 3.37 0.31 3.99 2.01 0.69 -4.74 115.64 120.53 1hwm s THR 106 Ca 0.07 0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 1hwm s THR 106 Cb -0.09 -3.54 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 1hwm s THR 106 CO 0.01 -0.37 0.76 -1.10 -0.69 0.00 0.00 174.62 173.23 1hwm s GLN 107 N 5.97 4.11 0.01 4.92 -0.21 -1.26 -0.60 119.66 132.60 1hwm s GLN 107 Ca 0.83 0.79 0.01 0.00 0.02 0.00 0.00 55.36 57.01 1hwm s GLN 107 Cb -0.23 -2.54 -0.01 0.00 1.00 0.00 0.00 33.01 31.23 1hwm s GLN 107 CO 0.33 0.21 -0.05 -1.01 -2.12 0.00 0.00 175.29 172.64 1hwm s HIS 108 N -1.87 0.43 -0.14 0.91 3.76 0.17 -4.88 115.29 113.68 1hwm s HIS 108 Ca 0.52 -0.24 -0.07 0.00 -0.15 0.00 0.00 55.06 55.11 1hwm s HIS 108 Cb -0.12 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 1hwm s HIS 108 CO 0.18 -0.05 0.12 0.99 -0.85 0.00 0.00 174.74 175.14 1hwm s THR 109 N -0.61 5.35 0.43 1.30 2.01 -1.26 -0.35 115.64 122.50 1hwm s THR 109 Ca -0.04 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 1hwm s THR 109 Cb -0.05 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1hwm s THR 109 CO -0.00 0.57 0.69 -0.76 -0.69 0.00 0.00 174.62 174.43 1hwm s LEU 110 N -0.60 3.77 0.00 4.42 1.43 0.21 -4.89 118.68 123.02 1hwm s LEU 110 Ca 0.12 0.70 0.24 0.00 -1.03 0.00 0.00 54.13 54.17 1hwm s LEU 110 Cb -0.12 -3.61 1.43 0.00 0.03 0.00 0.00 46.19 43.92 1hwm s LEU 110 CO 0.02 -0.49 1.93 -1.54 0.23 0.00 0.00 176.35 176.50 1hwm n SER 111 N -2.08 0.07 -3.62 2.29 3.41 -1.26 -3.48 113.62 108.96 1hwm n SER 111 Ca -0.01 -1.25 -0.16 0.00 -0.26 0.00 0.00 58.87 57.18 1hwm n SER 111 Cb 0.56 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.42 1hwm n SER 111 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1hwm s PHE 112 N -1.99 1.44 0.46 7.33 -0.12 -1.26 -4.93 117.98 118.90 1hwm s PHE 112 Ca 0.37 -1.50 0.08 0.00 -0.05 0.00 0.00 56.93 55.82 1hwm s PHE 112 Cb 0.17 -0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.01 1hwm s PHE 112 CO 0.28 -0.84 0.45 0.95 -0.05 0.00 0.00 175.22 176.01 1hwm s THR 113 N -3.63 2.46 -0.38 -4.49 -4.23 -1.26 -1.08 115.64 103.03 1hwm s THR 113 Ca 0.38 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1hwm s THR 113 Cb 0.03 -2.75 0.31 0.00 1.34 0.00 0.00 72.50 71.42 1hwm s THR 113 CO 0.21 0.00 1.92 0.61 -0.54 0.00 0.00 174.62 176.83 1hwm n GLY 114 N -1.69 4.34 3.87 3.99 0.00 -1.26 -4.12 105.19 110.32 1hwm n GLY 114 Ca 0.04 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 1hwm n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hwm s ASN 115 N -0.36 6.59 0.44 1.61 0.01 -1.26 -4.89 114.94 117.07 1hwm s ASN 115 Ca 0.39 1.14 0.20 0.00 -0.71 0.00 0.00 52.86 53.88 1hwm s ASN 115 Cb 0.31 -2.32 1.01 0.00 0.41 0.00 0.00 41.25 40.66 1hwm s ASN 115 CO 0.01 -0.33 1.91 1.88 -1.51 0.00 0.00 177.10 179.07 1hwm h TYR 116 N 1.59 0.00 0.15 2.20 0.99 -1.98 0.32 116.97 120.24 1hwm h TYR 116 Ca -0.47 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 59.95 1hwm h TYR 116 Cb 1.18 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.92 1hwm h TYR 116 CO 0.61 0.26 -1.50 -0.44 -0.00 0.00 0.00 178.16 177.08 1hwm h ASP 117 N 0.00 0.51 0.65 3.88 5.19 -1.97 -2.68 116.42 122.00 1hwm h ASP 117 Ca -0.00 -0.90 -0.03 0.00 -0.62 0.00 0.00 57.03 55.48 1hwm h ASP 117 Cb 0.56 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.91 1hwm h ASP 117 CO 0.03 1.67 -0.31 0.78 -3.12 0.00 0.00 179.24 178.30 1hwm h ASN 118 N -0.12 -0.74 -0.60 6.45 4.21 -1.81 -0.07 115.58 122.90 1hwm h ASN 118 Ca -0.30 0.01 0.12 0.00 1.21 0.00 0.00 56.30 57.34 1hwm h ASN 118 Cb 1.91 0.19 -0.10 0.00 -1.12 0.00 0.00 38.32 39.20 1hwm h ASN 118 CO 0.13 -0.49 -0.01 -0.07 -1.29 0.00 0.00 177.43 175.70 1hwm h LEU 119 N -0.92 -0.28 -0.25 1.61 3.38 -0.52 0.12 115.31 118.45 1hwm h LEU 119 Ca -0.09 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1hwm h LEU 119 Cb 0.68 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1hwm h LEU 119 CO 0.15 -0.11 -0.04 -0.33 0.09 0.00 0.00 178.44 178.20 1hwm h GLU 120 N 0.11 0.03 -0.19 1.13 5.08 -1.16 0.36 114.58 119.94 1hwm h GLU 120 Ca 0.31 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1hwm h GLU 120 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1hwm h GLU 120 CO -0.52 0.02 0.01 1.79 -1.00 0.00 0.00 179.01 179.32 1hwm h THR 121 N 0.03 1.24 -0.96 1.13 1.35 -0.11 -1.04 112.91 114.56 1hwm h THR 121 Ca 0.12 -0.82 0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1hwm h THR 121 Cb 0.17 1.41 -0.05 0.00 -1.73 0.00 0.00 68.15 67.95 1hwm h THR 121 CO -0.23 0.25 0.63 0.00 -0.25 0.00 0.00 175.52 175.92 1hwm h ALA 122 N 0.80 1.25 -0.22 6.62 0.00 -0.54 -1.21 119.26 125.96 1hwm h ALA 122 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1hwm h ALA 122 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1hwm h ALA 122 CO 0.01 0.55 -0.20 0.00 0.00 0.00 0.00 179.25 179.60 1hwm h ALA 123 N 1.38 1.25 0.00 0.00 0.00 -0.13 -3.46 119.26 118.30 1hwm h ALA 123 Ca 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hwm h ALA 123 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1hwm h ALA 123 CO -0.10 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1hwm n GLY 124 N -0.56 0.69 3.15 0.00 0.00 -0.42 -4.76 105.19 103.30 1hwm n GLY 124 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1hwm n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hwm s THR 125 N -2.59 0.14 -0.08 2.61 -4.23 -1.04 -5.01 115.64 105.44 1hwm s THR 125 Ca 0.00 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1hwm s THR 125 Cb 0.00 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1hwm s THR 125 CO 0.00 -0.66 0.11 -0.13 -0.54 0.00 0.00 174.62 173.40 1hwm s ARG 126 N -3.97 3.29 0.26 3.99 0.52 -1.26 -4.45 118.95 117.32 1hwm s ARG 126 Ca 0.15 -0.26 0.05 0.00 -0.52 0.00 0.00 55.73 55.15 1hwm s ARG 126 Cb 0.07 -3.05 0.71 0.00 0.52 0.00 0.00 34.95 33.20 1hwm s ARG 126 CO -0.04 0.73 1.25 0.54 0.02 0.00 0.00 175.30 177.80 1hwm n ARG 127 N 1.77 -0.06 -0.29 3.54 1.74 -1.26 -0.31 116.66 121.78 1hwm n ARG 127 Ca -0.18 1.17 0.27 0.00 -0.77 0.00 0.00 57.85 58.35 1hwm n ARG 127 Cb 0.54 -1.91 0.62 0.00 -1.02 0.00 0.00 32.46 30.69 1hwm n ARG 127 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1hwm h GLU 128 N 0.00 0.20 -0.48 5.56 9.09 -1.94 -1.00 114.58 126.00 1hwm h GLU 128 Ca 0.52 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.92 1hwm h GLU 128 Cb 1.17 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1hwm h GLU 128 CO -0.72 0.13 0.00 0.43 0.05 0.00 0.00 179.01 178.90 1hwm n SER 129 N -4.42 3.57 -4.79 3.06 7.64 0.57 -4.38 113.62 114.87 1hwm n SER 129 Ca 0.23 -1.98 -0.37 0.00 1.01 0.00 0.00 58.87 57.76 1hwm n SER 129 Cb 0.98 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.81 1hwm n SER 129 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1hwm s ILE 130 N -1.32 5.22 0.19 0.44 1.01 -0.38 -5.01 121.20 121.35 1hwm s ILE 130 Ca 0.41 0.64 -0.23 0.00 0.00 0.00 0.00 60.65 61.46 1hwm s ILE 130 Cb 0.23 -3.64 -0.08 0.00 0.01 0.00 0.00 42.46 38.98 1hwm s ILE 130 CO 0.31 0.49 0.75 -1.61 0.00 0.00 0.00 174.94 174.89 1hwm s GLU 131 N -0.35 4.43 0.23 2.79 8.01 -1.26 -4.19 118.70 128.36 1hwm s GLU 131 Ca 0.20 1.03 0.10 0.00 0.01 0.00 0.00 54.97 56.31 1hwm s GLU 131 Cb -0.14 -3.10 -0.05 0.00 -4.31 0.00 0.00 34.13 26.53 1hwm s GLU 131 CO 0.08 0.50 -0.18 -0.51 0.01 0.00 0.00 175.26 175.16 1hwm s LEU 132 N -1.49 2.55 0.00 1.80 1.43 0.11 -4.82 118.68 118.25 1hwm s LEU 132 Ca 0.39 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1hwm s LEU 132 Cb -0.20 -0.91 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1hwm s LEU 132 CO 0.24 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1hwm n GLY 133 N -0.36 0.95 0.27 -3.19 0.00 -1.26 -1.74 105.19 99.86 1hwm n GLY 133 Ca -0.08 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 1hwm n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hwm h PRO 134 N 7.92 -0.53 0.38 1.61 0.13 -1.79 -1.87 132.00 137.86 1hwm h PRO 134 Ca 0.00 0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1hwm h PRO 134 Cb 0.00 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.22 1hwm h PRO 134 CO 0.00 -0.35 -0.43 -0.91 -0.23 0.00 0.00 178.00 176.07 1hwm h ASN 135 N -0.55 -1.20 -1.04 1.44 4.21 -1.93 -0.73 115.58 115.78 1hwm h ASN 135 Ca -0.04 0.11 0.28 0.00 1.21 0.00 0.00 56.30 57.86 1hwm h ASN 135 Cb 0.47 0.41 -0.12 0.00 -1.12 0.00 0.00 38.32 37.96 1hwm h ASN 135 CO -0.03 -0.58 0.63 -0.65 -1.29 0.00 0.00 177.43 175.52 1hwm h PRO 136 N -0.85 0.44 0.21 0.81 0.11 -1.88 0.37 132.00 131.22 1hwm h PRO 136 Ca -0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1hwm h PRO 136 Cb 0.77 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1hwm h PRO 136 CO -0.10 0.29 -0.10 1.25 -0.21 0.00 0.00 178.00 179.13 1hwm h LEU 137 N 0.45 -0.24 -0.11 2.35 7.12 -0.76 0.44 115.31 124.57 1hwm h LEU 137 Ca 0.65 -0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.50 1hwm h LEU 137 Cb 1.47 0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 41.62 1hwm h LEU 137 CO -0.43 0.08 -0.15 -0.78 -0.13 0.00 0.00 178.44 177.03 1hwm h ASP 138 N -0.58 -0.47 0.43 1.25 3.58 0.50 0.38 116.42 121.52 1hwm h ASP 138 Ca -0.03 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1hwm h ASP 138 Cb 0.42 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1hwm h ASP 138 CO 0.05 -0.20 0.00 1.23 -2.88 0.00 0.00 179.24 177.44 1hwm h GLY 139 N -0.20 0.00 1.44 -0.78 0.00 -0.33 -2.24 103.07 100.96 1hwm h GLY 139 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.13 1hwm h GLY 139 CO -0.23 0.00 -1.28 0.00 0.00 0.00 0.00 176.54 175.04 1hwm h ALA 140 N 2.05 0.04 0.48 3.60 0.00 0.12 -3.05 119.26 122.49 1hwm h ALA 140 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 1hwm h ALA 140 Cb 0.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hwm h ALA 140 CO 0.00 0.82 -0.23 0.82 0.00 0.00 0.00 179.25 180.66 1hwm h ILE 141 N 0.15 0.46 -0.74 0.00 2.04 -0.65 -2.61 117.51 116.17 1hwm h ILE 141 Ca -0.17 -0.36 0.17 0.00 1.00 0.00 0.00 64.86 65.49 1hwm h ILE 141 Cb 1.97 0.61 -0.13 0.00 -0.74 0.00 0.00 36.82 38.53 1hwm h ILE 141 CO 0.23 0.06 0.02 0.74 0.00 0.00 0.00 178.15 179.19 1hwm h THR 142 N -0.88 0.36 -0.47 -0.27 2.02 -1.63 0.22 112.91 112.26 1hwm h THR 142 Ca -0.07 -0.04 0.06 0.00 0.77 0.00 0.00 66.41 67.13 1hwm h THR 142 Cb 0.58 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1hwm h THR 142 CO 0.11 0.02 0.19 -1.28 0.37 0.00 0.00 175.52 174.92 1hwm h SER 143 N 0.11 0.22 -0.14 4.18 0.87 -1.46 -1.55 113.55 115.78 1hwm h SER 143 Ca 0.41 0.05 -0.15 0.00 -1.23 0.00 0.00 61.79 60.87 1hwm h SER 143 Cb 0.72 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1hwm h SER 143 CO -0.65 0.16 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.31 1hwm h LEU 144 N 0.37 0.74 -1.87 2.23 3.38 -0.63 -0.48 115.31 119.05 1hwm h LEU 144 Ca 0.22 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1hwm h LEU 144 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1hwm h LEU 144 CO -0.21 1.07 0.12 -0.25 0.09 0.00 0.00 178.44 179.26 1hwm h TRP 145 N 0.56 0.17 -0.49 1.13 2.91 -0.15 -0.34 115.95 119.73 1hwm h TRP 145 Ca 0.04 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1hwm h TRP 145 Cb 0.98 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1hwm h TRP 145 CO 0.05 0.10 0.00 0.66 -1.03 0.00 0.00 178.44 178.22 1hwm n TYR 146 N -4.51 1.67 -3.99 2.65 4.02 -0.63 -4.81 117.16 111.55 1hwm n TYR 146 Ca 0.00 -0.75 -0.43 0.00 -0.01 0.00 0.00 57.90 56.70 1hwm n TYR 146 Cb 0.12 -0.42 0.02 0.00 -0.02 0.00 0.00 39.34 39.05 1hwm n TYR 146 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1hwm n ASP 147 N 0.35 -4.33 -3.83 7.72 2.03 -0.14 -4.98 116.55 113.38 1hwm n ASP 147 Ca 0.25 -1.24 -0.12 0.00 0.52 0.00 0.00 54.79 54.20 1hwm n ASP 147 Cb 1.07 -2.06 -0.12 0.00 -0.72 0.00 0.00 41.12 39.28 1hwm n ASP 147 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1hwm s GLY 148 N -3.53 -0.09 -1.60 0.27 0.00 -0.24 -4.84 107.32 97.30 1hwm s GLY 148 Ca 0.48 0.34 -0.15 0.00 0.00 0.00 0.00 44.72 45.40 1hwm s GLY 148 CO 0.95 0.27 0.87 0.61 0.00 0.00 0.00 173.10 175.81 1hwm n GLY 149 N 2.79 -0.46 0.27 0.20 0.00 -1.26 -4.23 105.19 102.50 1hwm n GLY 149 Ca -0.14 0.17 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 1hwm n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hwm h VAL 150 N -1.82 1.06 0.00 1.61 2.07 -1.88 -2.57 116.25 114.71 1hwm h VAL 150 Ca -0.59 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1hwm h VAL 150 Cb 1.38 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1hwm h VAL 150 CO 0.72 0.15 0.00 0.00 0.02 0.00 0.00 177.57 178.46 1hwm n ALA 151 N -2.33 -0.32 -0.32 1.67 0.00 -1.26 -1.02 120.51 116.93 1hwm n ALA 151 Ca 0.08 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.78 1hwm n ALA 151 Cb 0.11 0.09 0.57 0.00 0.00 0.00 0.00 19.45 20.22 1hwm n ALA 151 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1hwm h ARG 152 N 0.00 0.28 -0.38 0.00 2.43 -1.83 0.15 114.38 115.04 1hwm h ARG 152 Ca 0.00 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.03 1hwm h ARG 152 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1hwm h ARG 152 CO 0.00 0.19 -0.27 0.77 -1.51 0.00 0.00 179.97 179.14 1hwm h SER 153 N 0.29 0.82 -0.16 -3.80 0.02 -1.28 -2.94 113.55 106.51 1hwm h SER 153 Ca 0.59 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1hwm h SER 153 Cb 1.70 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 1hwm h SER 153 CO -0.23 1.05 0.03 -0.07 -1.14 0.00 0.00 176.83 176.46 1hwm h LEU 154 N 0.68 0.31 -1.57 5.07 -0.00 0.10 -1.80 115.31 118.11 1hwm h LEU 154 Ca 0.08 -0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 57.88 1hwm h LEU 154 Cb 0.81 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 1hwm h LEU 154 CO 0.07 0.34 -0.23 -0.07 -0.00 0.00 0.00 178.44 178.55 1hwm h LEU 155 N 0.34 0.00 -0.01 1.67 3.38 -1.31 0.49 115.31 119.87 1hwm h LEU 155 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1hwm h LEU 155 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1hwm h LEU 155 CO 0.00 0.23 -0.09 0.58 0.09 0.00 0.00 178.44 179.25 1hwm h VAL 156 N 0.00 1.55 0.18 1.22 2.07 -1.36 -3.00 116.25 116.92 1hwm h VAL 156 Ca -0.00 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.77 1hwm h VAL 156 Cb 0.44 2.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1hwm h VAL 156 CO 0.03 0.47 -0.23 0.25 0.02 0.00 0.00 177.57 178.11 1hwm h LEU 157 N -0.61 -0.63 -0.25 2.57 5.85 -1.19 -1.51 115.31 119.54 1hwm h LEU 157 Ca -0.01 0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1hwm h LEU 157 Cb 0.81 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.99 1hwm h LEU 157 CO 0.02 -0.33 -0.27 0.40 -0.34 0.00 0.00 178.44 177.91 1hwm h ILE 158 N -0.46 0.34 -0.07 4.05 2.04 -1.01 -1.09 117.51 121.30 1hwm h ILE 158 Ca 0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 1hwm h ILE 158 Cb 0.45 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1hwm h ILE 158 CO -0.08 0.00 -0.36 1.56 0.00 0.00 0.00 178.15 179.26 1hwm h GLN 159 N -0.28 0.14 -0.01 2.37 4.20 -1.47 -2.40 115.11 117.66 1hwm h GLN 159 Ca 0.14 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1hwm h GLN 159 Cb 0.49 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1hwm h GLN 159 CO -0.41 0.49 -0.09 -1.33 -0.67 0.00 0.00 178.83 176.82 1hwm n MET 160 N -4.08 1.01 0.00 1.46 2.81 -0.58 -3.42 117.12 114.33 1hwm n MET 160 Ca -0.01 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.44 1hwm n MET 160 Cb 0.43 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1hwm n MET 160 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1hwm n VAL 161 N -0.62 0.00 -0.00 2.03 0.31 -0.47 -4.68 118.33 114.91 1hwm n VAL 161 Ca 0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.40 1hwm n VAL 161 Cb 0.29 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 32.92 1hwm n VAL 161 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1hwm h PRO 162 N 0.00 -0.22 -0.48 5.55 0.11 -1.67 -0.03 132.00 135.26 1hwm h PRO 162 Ca 0.00 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.19 1hwm h PRO 162 Cb 0.00 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.10 1hwm h PRO 162 CO 0.00 -0.14 0.15 0.93 -0.21 0.00 0.00 178.00 178.73 1hwm h GLU 163 N -0.22 0.31 -0.56 1.05 3.07 -1.63 -0.36 114.58 116.24 1hwm h GLU 163 Ca 0.10 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.99 1hwm h GLU 163 Cb 0.37 -0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.16 1hwm h GLU 163 CO -0.27 0.20 0.30 0.00 -1.40 0.00 0.00 179.01 177.84 1hwm h ALA 164 N 1.33 0.73 -0.32 3.43 0.00 -1.43 0.35 119.26 123.35 1hwm h ALA 164 Ca 0.23 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1hwm h ALA 164 Cb 0.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1hwm h ALA 164 CO -0.25 -0.04 0.11 0.00 0.00 0.00 0.00 179.25 179.08 1hwm h ALA 165 N 1.30 1.61 0.32 0.00 0.00 -0.18 -3.15 119.26 119.16 1hwm h ALA 165 Ca 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1hwm h ALA 165 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1hwm h ALA 165 CO -0.16 0.31 -0.15 0.00 0.00 0.00 0.00 179.25 179.24 1hwm h ARG 166 N 0.45 -0.41 -4.91 0.00 3.08 0.61 -3.40 114.38 109.80 1hwm h ARG 166 Ca 0.11 0.03 -0.65 0.00 0.07 0.00 0.00 59.98 59.54 1hwm h ARG 166 Cb 0.11 0.09 -0.21 0.00 0.08 0.00 0.00 29.97 30.04 1hwm h ARG 166 CO -0.01 -0.28 -0.59 -0.06 -1.07 0.00 0.00 179.97 177.96 1hwm s PHE 167 N -2.96 3.13 -0.15 3.04 0.40 0.11 0.95 117.98 122.49 1hwm s PHE 167 Ca -0.06 -0.35 0.29 0.00 -0.60 0.00 0.00 56.93 56.20 1hwm s PHE 167 Cb 0.01 -2.29 1.27 0.00 0.51 0.00 0.00 43.02 42.52 1hwm s PHE 167 CO 0.19 -0.34 1.85 0.00 0.70 0.00 0.00 175.22 177.62 1hwm h ARG 168 N 8.28 0.00 -0.29 0.44 3.08 -1.32 -1.67 114.38 122.91 1hwm h ARG 168 Ca -0.37 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.62 1hwm h ARG 168 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1hwm h ARG 168 CO 0.58 0.00 -0.07 -0.92 -1.07 0.00 0.00 179.97 178.49 1hwm h TYR 169 N 0.00 0.62 -0.33 3.04 3.20 -1.54 -1.12 116.97 120.84 1hwm h TYR 169 Ca 0.00 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.68 1hwm h TYR 169 Cb 0.33 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 1hwm h TYR 169 CO 0.00 0.75 0.01 0.82 -1.64 0.00 0.00 178.16 178.10 1hwm h ILE 170 N 0.31 1.26 -1.00 1.81 2.04 -1.61 -2.23 117.51 118.08 1hwm h ILE 170 Ca 0.07 -0.95 0.22 0.00 1.00 0.00 0.00 64.86 65.20 1hwm h ILE 170 Cb 0.55 1.22 -0.12 0.00 -0.74 0.00 0.00 36.82 37.74 1hwm h ILE 170 CO 0.03 0.31 0.59 -0.08 0.00 0.00 0.00 178.15 179.00 1hwm h GLU 171 N 0.39 0.64 0.71 2.37 4.81 -1.11 -0.29 114.58 122.10 1hwm h GLU 171 Ca 0.09 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1hwm h GLU 171 Cb 0.44 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1hwm h GLU 171 CO 0.02 0.42 -0.34 0.37 -0.73 0.00 0.00 179.01 178.75 1hwm h GLN 172 N 0.66 -0.92 -0.70 1.92 5.75 -0.78 0.70 115.11 121.74 1hwm h GLN 172 Ca 0.61 0.06 0.12 0.00 -0.15 0.00 0.00 58.65 59.29 1hwm h GLN 172 Cb 1.07 0.21 -0.13 0.00 1.07 0.00 0.00 27.48 29.71 1hwm h GLN 172 CO -0.44 -0.61 -0.35 1.49 -2.65 0.00 0.00 178.83 176.27 1hwm h GLU 173 N -1.21 -0.12 -0.33 1.69 4.57 -0.76 0.22 114.58 118.64 1hwm h GLU 173 Ca -0.10 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1hwm h GLU 173 Cb 0.73 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1hwm h GLU 173 CO 0.16 -0.08 0.20 0.28 -1.18 0.00 0.00 179.01 178.40 1hwm h VAL 174 N -0.12 1.10 -0.50 0.32 2.07 -1.12 -1.35 116.25 116.66 1hwm h VAL 174 Ca 0.26 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1hwm h VAL 174 Cb 0.56 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.92 1hwm h VAL 174 CO -0.76 0.10 0.01 -0.09 0.02 0.00 0.00 177.57 176.86 1hwm h ARG 175 N 0.43 0.12 -0.13 1.57 2.43 0.16 0.56 114.38 119.52 1hwm h ARG 175 Ca 0.12 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1hwm h ARG 175 Cb -0.01 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1hwm h ARG 175 CO -0.02 0.08 -0.16 -0.09 -1.51 0.00 0.00 179.97 178.27 1hwm h ARG 176 N 0.13 0.21 -0.37 0.20 9.65 -0.38 -1.85 114.38 121.96 1hwm h ARG 176 Ca 0.25 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.05 1hwm h ARG 176 Cb 0.38 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1hwm h ARG 176 CO -0.41 0.38 0.11 0.66 2.80 0.00 0.00 179.97 183.51 1hwm h SER 177 N 0.20 0.49 0.01 -3.80 4.64 0.25 -2.82 113.55 112.51 1hwm h SER 177 Ca 0.04 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1hwm h SER 177 Cb 0.40 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1hwm h SER 177 CO 0.03 0.48 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.39 1hwm h LEU 178 N 0.53 -0.01 -1.56 5.97 3.38 -0.83 -2.72 115.31 120.07 1hwm h LEU 178 Ca 0.13 -0.81 0.39 0.00 0.09 0.00 0.00 57.88 57.68 1hwm h LEU 178 Cb 0.18 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 1hwm h LEU 178 CO -0.01 0.85 0.86 -0.61 0.09 0.00 0.00 178.44 179.62 1hwm h GLN 179 N -0.92 0.14 -0.67 1.13 4.15 -1.21 -2.15 115.11 115.59 1hwm h GLN 179 Ca -0.00 -0.01 -0.33 0.00 0.77 0.00 0.00 58.65 59.08 1hwm h GLN 179 Cb 0.82 -0.03 -0.40 0.00 0.21 0.00 0.00 27.48 28.07 1hwm h GLN 179 CO 0.00 0.09 -1.08 0.00 -1.93 0.00 0.00 178.83 175.91 1hwm n GLN 180 N -4.50 1.90 -0.68 1.69 -0.00 -1.08 -5.03 117.38 109.67 1hwm n GLN 180 Ca 0.33 -3.58 0.00 0.00 -0.00 0.00 0.00 57.00 53.75 1hwm n GLN 180 Cb 1.31 -1.63 0.00 0.00 -0.00 0.00 0.00 30.24 29.91 1hwm n GLN 180 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1hwm n LEU 181 N -0.47 0.00 0.00 2.61 4.77 -0.81 -4.92 117.00 118.18 1hwm n LEU 181 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1hwm n LEU 181 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1hwm n LEU 181 CO 0.17 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.58 1hwm n THR 182 N -0.04 0.00 -3.83 -5.08 -2.24 -1.10 -5.06 114.28 96.94 1hwm n THR 182 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1hwm n THR 182 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1hwm n THR 182 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1hwm s SER 183 N 0.68 -0.05 0.02 3.42 0.01 -1.26 -4.26 113.70 112.26 1hwm s SER 183 Ca 0.00 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 57.03 1hwm s SER 183 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 1hwm s SER 183 CO 0.00 -0.43 0.18 0.72 0.41 0.00 0.00 173.24 174.11 1hwm s PHE 184 N -1.59 0.04 0.01 2.43 -0.12 -0.71 -4.94 117.98 113.11 1hwm s PHE 184 Ca -0.13 -0.20 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 1hwm s PHE 184 Cb -0.06 -0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1hwm s PHE 184 CO 0.02 -0.37 0.13 0.95 -0.05 0.00 0.00 175.22 175.90 1hwm s THR 185 N -2.05 5.05 0.26 -4.49 -4.23 -1.26 0.04 115.64 108.96 1hwm s THR 185 Ca -0.09 -0.36 -0.30 0.00 -1.18 0.00 0.00 61.69 59.76 1hwm s THR 185 Cb -0.04 -3.36 -0.11 0.00 1.34 0.00 0.00 72.50 70.33 1hwm s THR 185 CO -0.01 0.29 1.52 -2.84 -0.54 0.00 0.00 174.62 173.04 1hwm s PRO 186 N -1.99 4.19 0.65 3.99 0.02 -1.26 -5.00 135.00 135.60 1hwm s PRO 186 Ca 0.27 2.44 -0.04 0.00 0.02 0.00 0.00 61.00 63.68 1hwm s PRO 186 Cb -0.12 -3.07 0.05 0.00 0.02 0.00 0.00 34.50 31.37 1hwm s PRO 186 CO 0.18 -0.53 0.93 0.54 -0.33 0.00 0.00 177.00 177.80 1hwm s ASN 187 N 0.47 5.02 0.28 2.53 2.20 -1.26 -4.77 114.94 119.41 1hwm s ASN 187 Ca 0.62 0.35 0.02 0.00 -0.94 0.00 0.00 52.86 52.90 1hwm s ASN 187 Cb -0.45 -1.10 0.64 0.00 -2.00 0.00 0.00 41.25 38.34 1hwm s ASN 187 CO 0.45 -1.42 1.72 0.00 -2.94 0.00 0.00 177.10 174.91 1hwm h ALA 188 N -0.37 1.36 -0.04 3.54 0.00 -1.81 -2.31 119.26 119.63 1hwm h ALA 188 Ca -0.44 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1hwm h ALA 188 Cb 1.31 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1hwm h ALA 188 CO 0.58 -0.23 -0.00 1.25 0.00 0.00 0.00 179.25 180.85 1hwm h LEU 189 N 0.49 0.08 -0.00 0.00 5.85 -1.71 -1.61 115.31 118.40 1hwm h LEU 189 Ca 0.52 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1hwm h LEU 189 Cb 0.88 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 1hwm h LEU 189 CO -0.46 0.38 -0.38 -0.03 -0.34 0.00 0.00 178.44 177.61 1hwm h MET 190 N -0.23 -0.46 -0.42 1.25 4.05 -1.73 0.45 114.93 117.84 1hwm h MET 190 Ca 0.01 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.57 1hwm h MET 190 Cb 0.34 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1hwm h MET 190 CO 0.00 -0.31 0.30 -0.07 0.23 0.00 0.00 176.91 177.06 1hwm h LEU 191 N -0.48 0.09 -0.87 3.39 3.38 -1.54 -1.39 115.31 117.90 1hwm h LEU 191 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1hwm h LEU 191 Cb 0.51 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1hwm h LEU 191 CO -0.26 0.06 0.36 -1.28 0.09 0.00 0.00 178.44 177.41 1hwm h SER 192 N 0.10 1.09 1.78 -0.43 0.87 0.07 -2.03 113.55 115.00 1hwm h SER 192 Ca 0.20 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1hwm h SER 192 Cb 0.66 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1hwm h SER 192 CO -0.02 0.93 -0.22 0.00 -0.53 0.00 0.00 176.83 176.99 1hwm h MET 193 N 1.17 0.00 -0.27 2.24 -0.00 -0.11 -3.18 114.93 114.78 1hwm h MET 193 Ca 0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.86 1hwm h MET 193 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1hwm h MET 193 CO -0.03 0.08 -0.28 0.93 -0.00 0.00 0.00 176.91 177.61 1hwm h GLU 194 N 0.00 0.67 0.00 -0.10 5.08 -0.86 -3.05 114.58 116.32 1hwm h GLU 194 Ca -0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1hwm h GLU 194 Cb 1.07 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1hwm h GLU 194 CO 0.01 0.97 0.00 0.09 -1.00 0.00 0.00 179.01 179.08 1hwm n ASN 195 N -4.29 0.00 -0.30 1.42 3.02 -0.81 -3.74 115.26 110.56 1hwm n ASN 195 Ca -0.04 0.40 0.05 0.00 -0.03 0.00 0.00 54.58 54.95 1hwm n ASN 195 Cb 0.47 -0.47 0.10 0.00 -0.61 0.00 0.00 39.78 39.28 1hwm n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hwm n ASN 196 N -1.47 2.57 -0.18 6.41 4.13 -1.20 -4.74 115.26 120.79 1hwm n ASN 196 Ca 0.08 -2.37 -0.02 0.00 1.68 0.00 0.00 54.58 53.95 1hwm n ASN 196 Cb 0.32 -0.22 0.05 0.00 -1.54 0.00 0.00 39.78 38.38 1hwm n ASN 196 CO 0.00 0.00 0.00 -0.25 0.28 0.00 0.00 177.26 177.29 1hwm h TRP 197 N 0.77 -0.33 -0.45 3.10 7.01 -1.62 -0.02 115.95 124.42 1hwm h TRP 197 Ca 0.00 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.08 1hwm h TRP 197 Cb 0.80 0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 28.05 1hwm h TRP 197 CO 0.13 -0.25 0.23 1.03 -2.79 0.00 0.00 178.44 176.79 1hwm h SER 198 N -0.01 0.34 -0.18 2.65 0.87 -1.89 0.72 113.55 116.04 1hwm h SER 198 Ca 0.27 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1hwm h SER 198 Cb 0.42 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1hwm h SER 198 CO -0.58 0.24 0.09 0.28 -0.53 0.00 0.00 176.83 176.34 1hwm h SER 199 N 0.46 0.14 -0.48 6.23 0.02 -1.57 0.52 113.55 118.87 1hwm h SER 199 Ca 0.19 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1hwm h SER 199 Cb 0.08 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1hwm h SER 199 CO -0.13 0.11 0.22 0.24 -1.14 0.00 0.00 176.83 176.13 1hwm h MET 200 N 0.20 0.41 -0.78 3.45 2.07 -0.66 0.79 114.93 120.41 1hwm h MET 200 Ca 0.07 -0.02 0.08 0.00 -2.07 0.00 0.00 59.70 57.76 1hwm h MET 200 Cb 0.01 -0.09 -0.07 0.00 -1.87 0.00 0.00 31.60 29.58 1hwm h MET 200 CO -0.05 0.27 0.44 0.77 1.07 0.00 0.00 176.91 179.42 1hwm h SER 201 N 0.42 0.64 0.74 1.22 0.02 -0.18 -0.67 113.55 115.74 1hwm h SER 201 Ca 0.22 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1hwm h SER 201 Cb 0.17 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.64 1hwm h SER 201 CO -0.18 0.38 -0.35 0.25 -1.14 0.00 0.00 176.83 175.78 1hwm h LEU 202 N 0.77 -0.84 -0.60 5.07 6.46 0.32 -2.37 115.31 124.12 1hwm h LEU 202 Ca 0.37 0.03 0.12 0.00 -0.12 0.00 0.00 57.88 58.27 1hwm h LEU 202 Cb 0.30 0.22 -0.12 0.00 -0.73 0.00 0.00 40.66 40.33 1hwm h LEU 202 CO -0.23 -0.53 -0.19 -0.33 -0.62 0.00 0.00 178.44 176.54 1hwm h GLU 203 N -1.13 -0.04 -0.24 1.25 4.39 -0.69 -0.55 114.58 117.56 1hwm h GLU 203 Ca -0.10 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1hwm h GLU 203 Cb 0.76 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1hwm h GLU 203 CO 0.17 -0.03 0.13 0.28 -1.16 0.00 0.00 179.01 178.40 1hwm h VAL 204 N -0.04 1.01 -0.37 3.13 2.07 -1.17 -3.04 116.25 117.84 1hwm h VAL 204 Ca 0.28 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 1hwm h VAL 204 Cb 0.48 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1hwm h VAL 204 CO -0.64 0.05 0.07 1.56 0.02 0.00 0.00 177.57 178.63 1hwm h GLN 205 N 0.27 0.61 -0.13 1.57 4.20 -0.83 -3.04 115.11 117.76 1hwm h GLN 205 Ca 0.10 -0.16 0.04 0.00 0.06 0.00 0.00 58.65 58.69 1hwm h GLN 205 Cb 0.01 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.65 1hwm h GLN 205 CO -0.05 0.66 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.27 1hwm h LEU 206 N 0.45 -1.36 -2.07 1.46 3.38 -1.05 -0.93 115.31 115.20 1hwm h LEU 206 Ca 0.11 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.31 1hwm h LEU 206 Cb 0.35 0.55 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1hwm h LEU 206 CO 0.01 -0.43 0.13 0.28 0.09 0.00 0.00 178.44 178.51 1hwm h SER 207 N -0.50 0.00 -4.13 -0.43 0.02 -1.58 -3.48 113.55 103.45 1hwm h SER 207 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1hwm h SER 207 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1hwm h SER 207 CO -0.40 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.90 1hwm n GLY 208 N -1.53 -1.71 3.66 -3.77 0.00 -0.35 -4.45 105.19 97.04 1hwm n GLY 208 Ca 0.01 -1.54 -0.49 0.00 0.00 0.00 0.00 46.02 44.00 1hwm n GLY 208 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1hwm n ASP 209 N -1.99 2.83 0.00 1.61 -0.08 -1.26 -2.63 116.55 115.03 1hwm n ASP 209 Ca 0.00 1.06 0.00 0.00 -1.51 0.00 0.00 54.79 54.34 1hwm n ASP 209 Cb 0.00 -1.34 0.00 0.00 2.34 0.00 0.00 41.12 42.12 1hwm n ASP 209 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1hwm n ASN 210 N 4.25 0.00 -4.70 1.67 4.13 -1.26 -4.98 115.26 114.37 1hwm n ASN 210 Ca 0.20 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.03 1hwm n ASN 210 Cb 0.25 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.46 1hwm n ASN 210 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1hwm n VAL 211 N 0.00 0.21 -0.07 2.41 0.31 -1.08 -4.92 118.33 115.19 1hwm n VAL 211 Ca 0.00 -0.04 -0.11 0.00 -0.01 0.00 0.00 64.34 64.18 1hwm n VAL 211 Cb 0.00 -2.08 -0.09 0.00 -0.91 0.00 0.00 33.84 30.76 1hwm n VAL 211 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1hwm h SER 212 N 7.83 0.00 -4.24 4.52 0.87 -1.92 -3.45 113.55 117.16 1hwm h SER 212 Ca -0.45 -0.66 -0.51 0.00 -1.23 0.00 0.00 61.79 58.94 1hwm h SER 212 Cb 1.21 0.00 0.12 0.00 -0.44 0.00 0.00 62.40 63.29 1hwm h SER 212 CO 0.95 0.93 0.35 -2.84 -0.53 0.00 0.00 176.83 175.69 1hwm s PRO 213 N -2.08 2.52 0.02 2.24 0.02 -1.26 -1.67 135.00 134.79 1hwm s PRO 213 Ca -0.15 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.21 1hwm s PRO 213 Cb -0.01 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1hwm s PRO 213 CO 0.49 -1.46 0.10 -0.06 -0.33 0.00 0.00 177.00 175.74 1hwm s PHE 214 N -2.51 3.31 0.24 6.54 2.99 0.16 -4.78 117.98 123.92 1hwm s PHE 214 Ca 0.65 0.19 0.01 0.00 0.00 0.00 0.00 56.93 57.79 1hwm s PHE 214 Cb -0.20 -1.72 0.27 0.00 0.00 0.00 0.00 43.02 41.37 1hwm s PHE 214 CO 0.47 0.56 1.61 0.77 -0.00 0.00 0.00 175.22 178.62 1hwm h SER 215 N 3.77 0.48 -2.02 1.36 0.02 -1.86 -3.45 113.55 111.85 1hwm h SER 215 Ca -0.48 -0.22 -0.59 0.00 -0.84 0.00 0.00 61.79 59.66 1hwm h SER 215 Cb 1.18 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 63.45 1hwm h SER 215 CO 0.65 0.86 -0.56 -0.83 -1.14 0.00 0.00 176.83 175.81 1hwm s GLY 216 N -4.13 2.55 0.14 -3.77 0.00 -1.26 -5.16 107.32 95.70 1hwm s GLY 216 Ca -0.06 -1.53 0.07 0.00 0.00 0.00 0.00 44.72 43.20 1hwm s GLY 216 CO 0.81 -2.00 -0.06 -0.51 0.00 0.00 0.00 173.10 171.34 1hwm s THR 217 N -3.00 3.51 -0.15 0.90 -4.23 -1.26 -4.80 115.64 106.60 1hwm s THR 217 Ca 0.26 -1.39 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1hwm s THR 217 Cb 0.06 -2.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1hwm s THR 217 CO 0.13 -0.02 0.21 -0.69 -0.54 0.00 0.00 174.62 173.71 1hwm s VAL 218 N -1.51 5.37 -0.24 2.29 1.01 -0.21 -4.93 120.40 122.17 1hwm s VAL 218 Ca 0.25 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1hwm s VAL 218 Cb -0.10 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1hwm s VAL 218 CO 0.16 0.48 0.58 -1.10 0.00 0.00 0.00 175.10 175.22 1hwm s GLN 219 N -0.07 4.12 0.09 2.72 -0.21 -1.26 -1.56 119.66 123.49 1hwm s GLN 219 Ca 0.14 0.47 0.05 0.00 0.02 0.00 0.00 55.36 56.04 1hwm s GLN 219 Cb -0.12 -3.63 -0.03 0.00 1.00 0.00 0.00 33.01 30.23 1hwm s GLN 219 CO 0.03 -0.33 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.22 1hwm s LEU 220 N 2.23 2.32 -0.04 2.90 1.02 0.26 -4.92 118.68 122.45 1hwm s LEU 220 Ca 0.25 -0.69 -0.08 0.00 0.02 0.00 0.00 54.13 53.62 1hwm s LEU 220 Cb -0.16 -0.52 -0.05 0.00 0.02 0.00 0.00 46.19 45.48 1hwm s LEU 220 CO 0.09 -0.11 0.24 -1.10 0.02 0.00 0.00 176.35 175.50 1hwm s GLN 221 N -2.10 3.59 0.57 1.70 -1.52 -1.26 0.23 119.66 120.87 1hwm s GLN 221 Ca 0.02 -0.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.43 1hwm s GLN 221 Cb -0.08 -3.15 0.04 0.00 -0.22 0.00 0.00 33.01 29.60 1hwm s GLN 221 CO 0.02 0.71 0.81 1.21 -0.25 0.00 0.00 175.29 177.79 1hwm s ASN 222 N -1.32 5.22 0.23 5.90 3.84 -0.81 -3.18 114.94 124.81 1hwm s ASN 222 Ca 0.22 0.05 -0.06 0.00 0.21 0.00 0.00 52.86 53.28 1hwm s ASN 222 Cb -0.13 -0.90 0.38 0.00 -0.55 0.00 0.00 41.25 40.05 1hwm s ASN 222 CO 0.11 -1.20 1.74 1.88 -2.79 0.00 0.00 177.10 176.84 1hwm h TYR 223 N -0.02 0.51 0.00 0.43 -1.99 -1.93 0.21 116.97 114.18 1hwm h TYR 223 Ca -0.42 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1hwm h TYR 223 Cb 1.30 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.91 1hwm h TYR 223 CO 0.37 0.11 0.00 -0.40 -0.00 0.00 0.00 178.16 178.24 1hwm n ASP 224 N -4.97 0.00 0.00 3.88 5.68 -1.26 -4.58 116.55 115.30 1hwm n ASP 224 Ca 0.12 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.73 1hwm n ASP 224 Cb 0.35 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1hwm n ASP 224 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1hwm n HIS 225 N -1.41 0.00 -2.67 2.11 8.25 0.73 -5.04 115.22 117.18 1hwm n HIS 225 Ca 0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.09 1hwm n HIS 225 Cb 0.16 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 1hwm n HIS 225 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1hwm s THR 226 N -2.00 4.76 0.39 1.59 2.01 -1.26 -4.70 115.64 116.43 1hwm s THR 226 Ca 0.00 2.00 -0.25 0.00 0.31 0.00 0.00 61.69 63.75 1hwm s THR 226 Cb 0.00 -4.28 -0.11 0.00 0.01 0.00 0.00 72.50 68.11 1hwm s THR 226 CO 0.00 0.07 1.05 -2.65 -0.69 0.00 0.00 174.62 172.40 1hwm n PRO 227 N 4.52 1.46 -3.80 4.92 -0.02 -1.26 -1.92 135.00 138.90 1hwm n PRO 227 Ca 0.08 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 1hwm n PRO 227 Cb 0.49 -2.05 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 1hwm n PRO 227 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1hwm s ARG 228 N -1.91 0.17 -0.16 -0.52 3.52 0.14 -4.85 118.95 115.34 1hwm s ARG 228 Ca 0.61 0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 56.49 1hwm s ARG 228 Cb -0.58 0.03 0.04 0.00 -1.56 0.00 0.00 34.95 32.87 1hwm s ARG 228 CO 0.58 -0.06 -0.08 -0.51 -0.81 0.00 0.00 175.30 174.42 1hwm s LEU 229 N 0.37 1.71 -0.10 -0.88 1.02 -1.26 0.92 118.68 120.46 1hwm s LEU 229 Ca -0.02 -0.62 -0.19 0.00 0.02 0.00 0.00 54.13 53.32 1hwm s LEU 229 Cb -0.04 -1.02 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 1hwm s LEU 229 CO -0.02 -0.14 0.51 0.68 0.02 0.00 0.00 176.35 177.40 1hwm s VAL 230 N 1.56 5.14 -0.56 -1.59 -7.23 -0.60 -4.85 120.40 112.28 1hwm s VAL 230 Ca 0.02 1.02 0.04 0.00 -1.81 0.00 0.00 61.98 61.26 1hwm s VAL 230 Cb -0.15 -3.84 0.04 0.00 0.56 0.00 0.00 36.38 32.99 1hwm s VAL 230 CO -0.08 0.34 0.65 -0.90 -0.31 0.00 0.00 175.10 174.80 1hwm n ASP 231 N 3.53 1.40 -3.91 4.85 3.85 -1.26 -1.04 116.55 123.96 1hwm n ASP 231 Ca -0.07 -1.21 -0.11 0.00 -0.71 0.00 0.00 54.79 52.69 1hwm n ASP 231 Cb 0.52 -0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.15 1hwm n ASP 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1hwm s ASN 232 N -0.39 0.12 0.00 -1.12 2.20 -1.26 0.37 114.94 114.86 1hwm s ASN 232 Ca 0.05 -0.18 0.00 0.00 -0.94 0.00 0.00 52.86 51.79 1hwm s ASN 232 Cb 0.04 0.03 0.00 0.00 -2.00 0.00 0.00 41.25 39.32 1hwm s ASN 232 CO 0.06 -0.10 0.91 0.33 -2.94 0.00 0.00 177.10 175.36 1hwm n PHE 233 N 2.54 0.00 -0.30 1.54 7.35 -0.67 -0.91 117.46 127.01 1hwm n PHE 233 Ca -0.16 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.69 1hwm n PHE 233 Cb 0.58 -0.42 0.31 0.00 0.35 0.00 0.00 39.48 40.31 1hwm n PHE 233 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1hwm n GLU 234 N -2.67 -0.07 0.22 -4.13 -0.58 -1.26 0.14 120.64 112.30 1hwm n GLU 234 Ca 0.00 1.29 -0.15 0.00 -0.42 0.00 0.00 57.16 57.88 1hwm n GLU 234 Cb 0.00 -2.10 -0.08 0.00 -0.57 0.00 0.00 31.44 28.69 1hwm n GLU 234 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1hwm h GLU 235 N 0.00 -0.48 -0.14 3.49 5.08 -1.43 0.19 114.58 121.28 1hwm h GLU 235 Ca 0.57 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 59.02 1hwm h GLU 235 Cb 1.28 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.58 1hwm h GLU 235 CO -0.79 -0.31 -0.23 1.25 -1.00 0.00 0.00 179.01 177.93 1hwm h LEU 236 N -0.53 -0.73 0.51 1.33 5.85 0.26 -1.62 115.31 120.39 1hwm h LEU 236 Ca -0.05 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1hwm h LEU 236 Cb 0.40 0.33 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1hwm h LEU 236 CO 0.08 -0.28 -0.26 0.22 -0.34 0.00 0.00 178.44 177.87 1hwm h TYR 237 N -0.29 -0.67 -1.29 1.25 3.20 -0.51 0.65 116.97 119.32 1hwm h TYR 237 Ca 0.10 -0.01 0.43 0.00 3.14 0.00 0.00 58.73 62.39 1hwm h TYR 237 Cb 0.45 0.23 -0.13 0.00 1.54 0.00 0.00 36.73 38.81 1hwm h TYR 237 CO -0.34 -0.41 0.82 0.87 -1.64 0.00 0.00 178.16 177.46 1hwm h LYS 238 N -0.70 0.08 0.12 1.82 1.57 -0.57 1.68 116.57 120.57 1hwm h LYS 238 Ca -0.07 -0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.49 1hwm h LYS 238 Cb 0.54 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1hwm h LYS 238 CO 0.11 0.05 -1.03 0.82 -0.57 0.00 0.00 179.45 178.83 1hwm h ILE 239 N 0.08 1.32 0.04 1.86 2.04 -1.11 -3.41 117.51 118.33 1hwm h ILE 239 Ca 0.83 -2.47 -0.37 0.00 1.00 0.00 0.00 64.86 63.85 1hwm h ILE 239 Cb 2.54 2.99 -0.05 0.00 -0.74 0.00 0.00 36.82 41.57 1hwm h ILE 239 CO -0.46 0.69 -2.16 0.35 0.00 0.00 0.00 178.15 176.58 1hwm n THR 240 N -4.08 1.60 -1.95 -0.27 -2.24 0.21 -4.91 114.28 102.64 1hwm n THR 240 Ca -0.19 -0.48 -0.01 0.00 -2.27 0.00 0.00 64.05 61.11 1hwm n THR 240 Cb 0.84 -1.70 -0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1hwm n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwm n GLY 241 N 1.86 0.33 3.48 3.38 0.00 0.56 -1.71 105.19 113.09 1hwm n GLY 241 Ca -0.41 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1hwm n GLY 241 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hwm n ILE 242 N -3.93 1.89 -0.00 -0.61 3.06 -1.26 -1.44 119.36 117.07 1hwm n ILE 242 Ca -0.01 -0.50 -0.00 0.00 -2.50 0.00 0.00 62.75 59.74 1hwm n ILE 242 Cb 0.48 -0.62 -0.00 0.00 0.54 0.00 0.00 39.64 40.03 1hwm n ILE 242 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hwm n ALA 243 N -0.78 2.00 -2.42 1.51 0.00 0.27 -4.80 120.51 116.30 1hwm n ALA 243 Ca 0.11 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.27 1hwm n ALA 243 Cb 0.39 0.43 -0.12 0.00 0.00 0.00 0.00 19.45 20.15 1hwm n ALA 243 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hwm s ILE 244 N -2.00 2.40 -0.02 0.00 -1.09 -1.24 -4.21 121.20 115.05 1hwm s ILE 244 Ca -0.00 -1.75 0.05 0.00 -2.23 0.00 0.00 60.65 56.72 1hwm s ILE 244 Cb 0.00 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.77 1hwm s ILE 244 CO 0.00 0.06 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.84 1hwm s LEU 245 N -2.17 2.60 -0.26 2.97 1.02 0.18 -4.98 118.68 118.04 1hwm s LEU 245 Ca 0.16 -0.30 -0.13 0.00 0.02 0.00 0.00 54.13 53.88 1hwm s LEU 245 Cb -0.10 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 1hwm s LEU 245 CO 0.07 0.32 0.27 -0.22 0.02 0.00 0.00 176.35 176.81 1hwm s LEU 246 N -0.90 4.06 0.07 1.79 2.96 -1.26 -1.32 118.68 124.06 1hwm s LEU 246 Ca 0.12 0.17 -0.34 0.00 -0.22 0.00 0.00 54.13 53.86 1hwm s LEU 246 Cb -0.10 -2.27 -0.13 0.00 0.50 0.00 0.00 46.19 44.19 1hwm s LEU 246 CO 0.02 -0.08 1.68 0.33 -1.32 0.00 0.00 176.35 176.97 1hwm n PHE 247 N 4.96 2.26 0.00 5.38 7.35 -1.26 -4.69 117.46 131.46 1hwm n PHE 247 Ca -0.12 0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1hwm n PHE 247 Cb 0.51 -2.58 0.00 0.00 0.35 0.00 0.00 39.48 37.77 1hwm n PHE 247 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1hwm n ARG 248 N 4.54 0.00 -0.14 -4.13 5.12 -1.26 -5.07 116.66 115.71 1hwm n ARG 248 Ca 0.19 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1hwm n ARG 248 Cb 0.28 -0.06 0.00 0.00 -1.16 0.00 0.00 32.46 31.52 1hwm n ARG 248 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hwm n VAL 250 N -0.17 0.00 -0.43 0.00 0.31 -1.26 -5.10 118.33 111.67 1hwm n VAL 250 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1hwm n VAL 250 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1hwm n VAL 250 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51