#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwp n ASP 2 N 0.00 6.08 -4.61 4.38 10.43 -1.26 -4.98 116.55 126.59 1hwp n ASP 2 Ca 0.00 -2.93 -0.44 0.00 2.57 0.00 0.00 54.79 53.99 1hwp n ASP 2 Cb 0.00 -1.52 -0.01 0.00 1.84 0.00 0.00 41.12 41.42 1hwp n ASP 2 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1hwp n TYR 3 N 4.01 1.48 -0.57 1.24 4.01 -1.26 -4.93 117.16 121.14 1hwp n TYR 3 Ca 0.56 0.67 -0.30 0.00 -0.16 0.00 0.00 57.90 58.67 1hwp n TYR 3 Cb 0.32 -2.28 0.21 0.00 -0.31 0.00 0.00 39.34 37.28 1hwp n TYR 3 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1hwp n PRO 4 N 0.67 -1.51 -3.63 -0.72 -0.04 -1.26 -4.65 135.00 123.86 1hwp n PRO 4 Ca 0.08 -0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.01 1hwp n PRO 4 Cb 0.33 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.47 1hwp n PRO 4 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1hwp s SER 5 N -2.50 -0.39 0.13 3.54 1.04 -1.26 -1.11 113.70 113.16 1hwp s SER 5 Ca 0.68 0.22 0.11 0.00 0.48 0.00 0.00 55.95 57.43 1hwp s SER 5 Cb -0.24 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1hwp s SER 5 CO 0.62 -0.62 -0.24 0.68 0.98 0.00 0.00 173.24 174.66 1hwp s VAL 6 N -1.93 2.41 0.27 5.02 -7.23 -0.57 -4.97 120.40 113.41 1hwp s VAL 6 Ca -0.08 -1.73 0.08 0.00 -1.81 0.00 0.00 61.98 58.43 1hwp s VAL 6 Cb -0.02 -2.09 -0.06 0.00 0.56 0.00 0.00 36.38 34.78 1hwp s VAL 6 CO 0.02 0.07 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.35 1hwp s SER 7 N -2.16 2.91 -0.30 4.85 0.01 -1.26 -0.15 113.70 117.61 1hwp s SER 7 Ca 0.16 -1.15 -0.01 0.00 1.31 0.00 0.00 55.95 56.26 1hwp s SER 7 Cb -0.10 -0.20 0.19 0.00 0.21 0.00 0.00 66.02 66.13 1hwp s SER 7 CO 0.07 -0.27 0.69 0.12 0.41 0.00 0.00 173.24 174.27 1hwp s PHE 8 N -2.92 -1.47 -0.29 2.43 5.36 -0.26 -4.86 117.98 115.98 1hwp s PHE 8 Ca 0.29 1.27 -0.14 0.00 -0.96 0.00 0.00 56.93 57.38 1hwp s PHE 8 Cb 0.02 0.41 -0.03 0.00 -0.34 0.00 0.00 43.02 43.07 1hwp s PHE 8 CO 0.12 -0.83 0.33 1.21 -1.46 0.00 0.00 175.22 174.59 1hwp s ASN 9 N 2.87 6.19 0.32 6.13 3.84 -1.26 -1.88 114.94 131.15 1hwp s ASN 9 Ca 0.15 0.12 0.05 0.00 0.21 0.00 0.00 52.86 53.39 1hwp s ASN 9 Cb -0.12 -2.19 0.68 0.00 -0.55 0.00 0.00 41.25 39.08 1hwp s ASN 9 CO -0.21 -0.19 1.87 -0.07 -2.79 0.00 0.00 177.10 175.70 1hwp h LEU 10 N 8.59 0.79 -9.52 3.21 3.38 -1.33 -3.34 115.31 117.09 1hwp h LEU 10 Ca -0.32 0.04 -0.53 0.00 0.09 0.00 0.00 57.88 57.16 1hwp h LEU 10 Cb 1.16 -0.12 0.04 0.00 0.09 0.00 0.00 40.66 41.83 1hwp h LEU 10 CO 0.63 0.42 1.04 0.00 0.09 0.00 0.00 178.44 180.62 1hwp s ALA 11 N -5.81 3.76 -1.63 1.53 0.00 -1.26 -1.74 121.76 116.61 1hwp s ALA 11 Ca -0.11 1.38 -0.03 0.00 0.00 0.00 0.00 51.96 53.20 1hwp s ALA 11 Cb 0.22 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1hwp s ALA 11 CO 0.80 -1.10 0.44 0.41 0.00 0.00 0.00 175.76 176.31 1hwp n GLY 12 N 4.07 -0.52 3.63 0.00 0.00 -1.26 -4.97 105.19 106.14 1hwp n GLY 12 Ca 0.16 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1hwp n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hwp s ALA 13 N -3.15 3.44 0.32 4.61 0.00 -0.71 -5.07 121.76 121.21 1hwp s ALA 13 Ca 0.22 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1hwp s ALA 13 Cb -0.10 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1hwp s ALA 13 CO 0.27 0.06 0.30 0.15 0.00 0.00 0.00 175.76 176.53 1hwp s LYS 14 N 0.59 2.82 0.34 0.00 3.01 -1.26 -4.98 119.74 120.26 1hwp s LYS 14 Ca 0.04 -1.21 0.10 0.00 -1.01 0.00 0.00 55.97 53.89 1hwp s LYS 14 Cb -0.13 -2.54 0.85 0.00 -1.01 0.00 0.00 37.83 35.01 1hwp s LYS 14 CO 0.01 0.15 1.81 0.66 0.51 0.00 0.00 175.35 178.49 1hwp h SER 15 N 1.24 0.66 -0.52 2.83 4.64 -1.88 -0.07 113.55 120.46 1hwp h SER 15 Ca -0.46 0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 1hwp h SER 15 Cb 1.25 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1hwp h SER 15 CO 0.58 0.25 -0.02 0.00 -0.87 0.00 0.00 176.83 176.78 1hwp h THR 16 N 0.65 1.26 -0.68 2.95 1.03 -1.94 -1.81 112.91 114.37 1hwp h THR 16 Ca 0.54 -1.13 0.03 0.00 -0.01 0.00 0.00 66.41 65.83 1hwp h THR 16 Cb 0.98 0.85 -0.04 0.00 -1.07 0.00 0.00 68.15 68.87 1hwp h THR 16 CO -0.30 0.40 0.43 0.74 -0.01 0.00 0.00 175.52 176.79 1hwp h THR 17 N 0.89 1.10 0.07 0.00 2.02 -1.40 0.00 112.91 115.58 1hwp h THR 17 Ca 0.16 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1hwp h THR 17 Cb 0.54 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1hwp h THR 17 CO 0.03 0.15 -0.03 0.22 0.37 0.00 0.00 175.52 176.26 1hwp h TYR 18 N 0.84 -0.08 -0.67 3.16 3.20 -1.31 -0.56 116.97 121.56 1hwp h TYR 18 Ca 0.27 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.26 1hwp h TYR 18 Cb 0.01 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.22 1hwp h TYR 18 CO -0.04 0.19 0.24 -0.09 -1.64 0.00 0.00 178.16 176.81 1hwp h ARG 19 N -0.35 0.38 -0.49 1.82 1.12 -1.00 -0.74 114.38 115.13 1hwp h ARG 19 Ca -0.01 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 58.76 1hwp h ARG 19 Cb 0.31 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 1hwp h ARG 19 CO 0.01 0.25 0.01 -0.44 -3.11 0.00 0.00 179.97 176.70 1hwp h ASP 20 N 0.40 0.84 -0.10 -3.80 3.32 -0.91 -2.48 116.42 113.69 1hwp h ASP 20 Ca 0.35 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.13 1hwp h ASP 20 Cb 0.49 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1hwp h ASP 20 CO -0.36 0.94 -0.15 0.15 -1.72 0.00 0.00 179.24 178.10 1hwp h PHE 21 N 0.72 -0.37 -0.69 4.55 3.57 0.15 -1.96 116.94 122.90 1hwp h PHE 21 Ca 0.14 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.72 1hwp h PHE 21 Cb 0.50 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 1hwp h PHE 21 CO 0.04 -0.21 0.38 -0.07 -2.23 0.00 0.00 178.31 176.21 1hwp h LEU 22 N -0.19 0.56 -0.06 0.59 3.38 -1.11 -2.39 115.31 116.08 1hwp h LEU 22 Ca 0.08 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1hwp h LEU 22 Cb 0.31 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 1hwp h LEU 22 CO -0.22 0.35 -0.32 0.11 0.09 0.00 0.00 178.44 178.46 1hwp h LYS 23 N 0.69 -0.42 -0.57 1.13 1.79 -0.90 -0.87 116.57 117.42 1hwp h LYS 23 Ca 0.31 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.92 1hwp h LYS 23 Cb 0.22 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.88 1hwp h LYS 23 CO -0.20 -0.28 0.05 -0.91 -1.08 0.00 0.00 179.45 177.03 1hwp h ASN 24 N -0.44 -0.14 -0.61 0.86 4.21 -0.93 0.18 115.58 118.72 1hwp h ASN 24 Ca 0.08 0.12 0.05 0.00 1.21 0.00 0.00 56.30 57.76 1hwp h ASN 24 Cb 0.55 0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.92 1hwp h ASN 24 CO -0.31 -0.05 0.40 0.25 -1.29 0.00 0.00 177.43 176.43 1hwp h LEU 25 N 0.17 0.56 0.04 1.61 5.85 -0.90 -2.11 115.31 120.53 1hwp h LEU 25 Ca 0.29 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.01 1hwp h LEU 25 Cb 0.45 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1hwp h LEU 25 CO -0.44 0.37 -0.02 0.03 -0.34 0.00 0.00 178.44 178.05 1hwp h ARG 26 N 0.64 -0.05 -0.09 1.25 3.08 0.64 -2.65 114.38 117.21 1hwp h ARG 26 Ca 0.25 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.33 1hwp h ARG 26 Cb 0.20 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1hwp h ARG 26 CO -0.07 0.41 0.33 -0.44 -1.07 0.00 0.00 179.97 179.12 1hwp h ASP 27 N -0.52 0.00 0.00 7.04 5.19 -0.45 0.12 116.42 127.81 1hwp h ASP 27 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1hwp h ASP 27 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1hwp h ASP 27 CO 0.01 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.67 1hwp n ARG 28 N -3.11 0.00 -0.05 3.56 5.12 -0.85 -4.40 116.66 116.94 1hwp n ARG 28 Ca -0.00 0.08 0.17 0.00 -1.93 0.00 0.00 57.85 56.16 1hwp n ARG 28 Cb 0.40 -0.54 0.61 0.00 -1.16 0.00 0.00 32.46 31.77 1hwp n ARG 28 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 1hwp h VAL 29 N 0.00 0.79 -2.86 1.55 -1.51 -1.44 -3.36 116.25 109.42 1hwp h VAL 29 Ca 0.00 -0.06 -0.70 0.00 -1.23 0.00 0.00 66.70 64.71 1hwp h VAL 29 Cb 0.00 0.60 -0.19 0.00 -2.13 0.00 0.00 31.29 29.56 1hwp h VAL 29 CO 0.00 0.03 0.35 0.00 -1.23 0.00 0.00 177.57 176.72 1hwp s ALA 30 N -5.18 3.44 0.21 5.19 0.00 0.41 -4.63 121.76 121.20 1hwp s ALA 30 Ca -0.06 -2.44 -0.07 0.00 0.00 0.00 0.00 51.96 49.39 1hwp s ALA 30 Cb 0.20 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1hwp s ALA 30 CO 0.74 -2.56 0.29 0.99 0.00 0.00 0.00 175.76 175.22 1hwp s THR 31 N 2.57 0.01 0.00 0.00 2.01 -1.26 -4.62 115.64 114.36 1hwp s THR 31 Ca 0.19 -1.68 0.00 0.00 0.31 0.00 0.00 61.69 60.51 1hwp s THR 31 Cb -0.17 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.07 1hwp s THR 31 CO 0.01 -0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1hwp n GLY 32 N -0.30 -0.15 0.47 4.40 0.00 -1.26 -4.60 105.19 103.75 1hwp n GLY 32 Ca -0.01 -1.00 0.24 0.00 0.00 0.00 0.00 46.02 45.26 1hwp n GLY 32 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1hwp h THR 33 N 0.00 0.13 -1.63 2.61 2.02 -1.99 -3.41 112.91 110.63 1hwp h THR 33 Ca 0.00 0.00 -0.60 0.00 0.77 0.00 0.00 66.41 66.58 1hwp h THR 33 Cb 0.00 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1hwp h THR 33 CO 0.00 0.00 1.50 0.00 0.37 0.00 0.00 175.52 177.39 1hwp n TYR 34 N -3.37 1.76 -3.62 3.16 -0.00 -1.26 -4.88 117.16 108.95 1hwp n TYR 34 Ca 0.16 0.03 -0.12 0.00 -0.00 0.00 0.00 57.90 57.97 1hwp n TYR 34 Cb 1.17 -2.65 -0.07 0.00 -0.00 0.00 0.00 39.34 37.79 1hwp n TYR 34 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 1hwp s GLU 35 N 6.61 0.71 -0.05 2.98 -1.05 -1.26 -1.91 118.70 124.73 1hwp s GLU 35 Ca 1.04 0.72 0.04 0.00 -0.15 0.00 0.00 54.97 56.62 1hwp s GLU 35 Cb -0.49 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 33.52 1hwp s GLU 35 CO 0.38 -0.11 -0.15 0.14 0.95 0.00 0.00 175.26 176.47 1hwp s VAL 36 N 0.08 2.97 -1.83 1.83 -7.23 -0.56 -4.62 120.40 111.04 1hwp s VAL 36 Ca 0.00 -0.75 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 1hwp s VAL 36 Cb -0.04 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1hwp s VAL 36 CO -0.01 0.59 0.00 0.59 -0.31 0.00 0.00 175.10 175.96 1hwp n ASN 37 N 2.40 -4.68 0.00 4.85 3.02 -1.26 -1.40 115.26 118.19 1hwp n ASN 37 Ca -0.17 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1hwp n ASN 37 Cb 0.52 -4.18 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1hwp n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hwp n GLY 38 N -0.38 3.05 3.72 7.41 0.00 -1.26 -5.01 105.19 112.71 1hwp n GLY 38 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1hwp n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hwp s LEU 39 N 0.00 4.42 0.75 0.99 1.43 -0.49 -5.04 118.68 120.74 1hwp s LEU 39 Ca 0.00 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 1hwp s LEU 39 Cb 0.00 -3.55 0.04 0.00 0.03 0.00 0.00 46.19 42.71 1hwp s LEU 39 CO 0.00 -0.17 1.08 -2.16 0.23 0.00 0.00 176.35 175.33 1hwp s PRO 40 N 0.56 2.49 -0.28 1.29 0.04 -1.26 -1.49 135.00 136.35 1hwp s PRO 40 Ca 0.49 0.81 0.03 0.00 0.04 0.00 0.00 61.00 62.37 1hwp s PRO 40 Cb -0.22 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1hwp s PRO 40 CO 0.28 -1.38 -0.07 0.08 0.04 0.00 0.00 177.00 175.96 1hwp s VAL 41 N -3.09 2.15 -0.06 -0.36 1.01 -0.80 -1.25 120.40 118.00 1hwp s VAL 41 Ca 0.59 -1.79 -0.38 0.00 0.00 0.00 0.00 61.98 60.40 1hwp s VAL 41 Cb -0.14 -2.35 -0.17 0.00 0.00 0.00 0.00 36.38 33.72 1hwp s VAL 41 CO 0.55 -0.18 1.47 0.18 0.00 0.00 0.00 175.10 177.12 1hwp n LEU 42 N 4.40 1.78 -4.20 3.92 4.77 -0.57 -4.85 117.00 122.25 1hwp n LEU 42 Ca -0.09 1.11 -0.35 0.00 -0.03 0.00 0.00 56.01 56.65 1hwp n LEU 42 Cb 0.42 -1.15 0.12 0.00 -2.33 0.00 0.00 43.42 40.48 1hwp n LEU 42 CO 0.21 -0.89 -0.99 0.54 -1.33 0.00 0.00 177.39 174.94 1hwp n ARG 43 N 3.48 -0.88 -4.39 3.23 1.74 -1.26 -4.02 116.66 114.57 1hwp n ARG 43 Ca 0.22 -0.24 -0.26 0.00 -0.77 0.00 0.00 57.85 56.80 1hwp n ARG 43 Cb 0.15 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1hwp n ARG 43 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1hwp s ARG 44 N -2.96 1.78 0.09 5.56 1.70 -1.26 -4.57 118.95 119.28 1hwp s ARG 44 Ca 0.49 -1.50 -0.11 0.00 -0.47 0.00 0.00 55.73 54.14 1hwp s ARG 44 Cb -0.07 -1.94 0.04 0.00 -0.57 0.00 0.00 34.95 32.40 1hwp s ARG 44 CO 0.68 0.39 0.68 0.39 -1.08 0.00 0.00 175.30 176.35 1hwp n GLU 45 N -0.12 -0.15 -0.32 3.89 4.71 -1.26 0.36 120.64 127.74 1hwp n GLU 45 Ca -0.10 0.67 -0.00 0.00 -0.01 0.00 0.00 57.16 57.72 1hwp n GLU 45 Cb 0.57 -0.99 0.13 0.00 -1.01 0.00 0.00 31.44 30.14 1hwp n GLU 45 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1hwp h SER 46 N 0.00 0.93 -1.86 1.62 4.64 -2.04 -3.14 113.55 113.69 1hwp h SER 46 Ca 0.11 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.68 1hwp h SER 46 Cb 0.22 -0.20 -0.24 0.00 -0.31 0.00 0.00 62.40 61.88 1hwp h SER 46 CO -0.42 0.62 1.18 -1.84 -0.87 0.00 0.00 176.83 175.50 1hwp n GLU 47 N -4.55 4.12 -3.32 4.77 0.28 0.16 -4.84 120.64 117.26 1hwp n GLU 47 Ca 0.12 -3.85 0.03 0.00 -0.16 0.00 0.00 57.16 53.29 1hwp n GLU 47 Cb 0.12 -2.39 -0.03 0.00 1.43 0.00 0.00 31.44 30.56 1hwp n GLU 47 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1hwp s VAL 48 N -3.84 -0.45 0.64 3.84 0.11 -1.19 -4.37 120.40 115.16 1hwp s VAL 48 Ca 0.48 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.42 1hwp s VAL 48 Cb 0.29 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1hwp s VAL 48 CO -0.23 0.00 1.04 -1.58 -3.33 0.00 0.00 175.10 171.00 1hwp s GLN 49 N 2.53 3.39 0.48 1.54 0.74 -1.26 -4.88 119.66 122.20 1hwp s GLN 49 Ca -0.01 0.79 0.24 0.00 0.05 0.00 0.00 55.36 56.43 1hwp s GLN 49 Cb -0.07 -2.05 1.22 0.00 1.10 0.00 0.00 33.01 33.21 1hwp s GLN 49 CO -0.16 -0.73 1.99 -0.39 -0.55 0.00 0.00 175.29 175.44 1hwp h VAL 50 N -0.44 0.71 0.00 1.34 -1.51 -1.97 -0.20 116.25 114.17 1hwp h VAL 50 Ca -0.44 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.28 1hwp h VAL 50 Cb 1.20 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 1hwp h VAL 50 CO 0.61 0.18 0.00 1.17 -1.23 0.00 0.00 177.57 178.29 1hwp n LYS 51 N -3.71 0.11 -0.83 5.19 4.81 -1.26 -2.67 118.16 119.80 1hwp n LYS 51 Ca -0.02 0.35 0.02 0.00 -0.87 0.00 0.00 58.31 57.80 1hwp n LYS 51 Cb 0.30 -1.72 0.02 0.00 0.02 0.00 0.00 35.03 33.65 1hwp n LYS 51 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1hwp n ASN 52 N -1.93 0.56 0.22 3.14 0.23 -0.65 -4.85 115.26 111.98 1hwp n ASN 52 Ca 0.03 -2.14 0.11 0.00 -0.53 0.00 0.00 54.58 52.05 1hwp n ASN 52 Cb 0.20 -0.26 0.23 0.00 -2.08 0.00 0.00 39.78 37.87 1hwp n ASN 52 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1hwp h ARG 53 N 0.39 0.00 -4.74 -3.83 1.12 -0.84 -3.45 114.38 103.03 1hwp h ARG 53 Ca -0.08 0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 58.48 1hwp h ARG 53 Cb 1.54 0.00 -0.22 0.00 -0.01 0.00 0.00 29.97 31.28 1hwp h ARG 53 CO 0.04 0.08 -0.75 -0.06 -3.11 0.00 0.00 179.97 176.17 1hwp s PHE 54 N -3.25 0.79 -0.03 2.20 0.40 -1.26 -2.30 117.98 114.54 1hwp s PHE 54 Ca 0.06 -0.46 0.05 0.00 -0.60 0.00 0.00 56.93 55.98 1hwp s PHE 54 Cb 0.06 -0.47 -0.01 0.00 0.51 0.00 0.00 43.02 43.11 1hwp s PHE 54 CO 0.66 -0.05 -0.19 0.08 0.70 0.00 0.00 175.22 176.43 1hwp s VAL 55 N -1.27 1.50 -0.08 -0.44 1.01 -0.46 -4.47 120.40 116.20 1hwp s VAL 55 Ca -0.07 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1hwp s VAL 55 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1hwp s VAL 55 CO 0.01 0.43 0.17 -0.76 0.00 0.00 0.00 175.10 174.94 1hwp s LEU 56 N -0.27 4.39 -0.31 3.92 1.43 -0.27 0.76 118.68 128.33 1hwp s LEU 56 Ca 0.03 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1hwp s LEU 56 Cb -0.09 -2.27 0.06 0.00 0.03 0.00 0.00 46.19 43.92 1hwp s LEU 56 CO 0.00 0.36 0.02 -0.69 0.23 0.00 0.00 176.35 176.27 1hwp s VAL 57 N -1.13 2.93 -0.54 -1.59 1.01 0.38 -1.51 120.40 119.96 1hwp s VAL 57 Ca 0.19 -1.53 -0.21 0.00 0.00 0.00 0.00 61.98 60.43 1hwp s VAL 57 Cb -0.12 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.56 1hwp s VAL 57 CO 0.09 -0.20 0.74 -0.13 0.00 0.00 0.00 175.10 175.60 1hwp s ARG 58 N 1.21 3.16 -0.28 2.72 0.52 0.79 -1.28 118.95 125.79 1hwp s ARG 58 Ca -0.03 -0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 54.32 1hwp s ARG 58 Cb -0.20 -4.12 -0.01 0.00 0.52 0.00 0.00 34.95 31.14 1hwp s ARG 58 CO -0.02 -1.37 0.08 -0.51 0.02 0.00 0.00 175.30 173.49 1hwp s LEU 59 N 3.07 3.69 -0.26 2.53 1.43 0.30 -1.10 118.68 128.34 1hwp s LEU 59 Ca 0.19 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1hwp s LEU 59 Cb -0.18 -1.90 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1hwp s LEU 59 CO 0.13 -0.13 0.21 -0.89 0.23 0.00 0.00 176.35 175.89 1hwp s THR 60 N 1.55 5.31 0.82 5.49 2.01 -0.79 0.01 115.64 130.05 1hwp s THR 60 Ca 0.04 0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1hwp s THR 60 Cb -0.16 -3.54 0.08 0.00 0.01 0.00 0.00 72.50 68.89 1hwp s THR 60 CO 0.03 0.28 1.12 0.54 -0.69 0.00 0.00 174.62 175.90 1hwp s ASN 61 N 1.43 4.31 0.16 3.53 4.22 -0.72 -0.98 114.94 126.89 1hwp s ASN 61 Ca 0.09 1.12 -0.29 0.00 -2.14 0.00 0.00 52.86 51.64 1hwp s ASN 61 Cb -0.15 -1.79 -0.02 0.00 1.28 0.00 0.00 41.25 40.57 1hwp s ASN 61 CO 0.08 -2.07 1.56 1.88 -2.04 0.00 0.00 177.10 176.51 1hwp h TYR 62 N -1.16 -1.51 0.00 1.54 0.99 -1.91 0.23 116.97 115.16 1hwp h TYR 62 Ca -0.48 0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1hwp h TYR 62 Cb 1.29 0.74 0.00 0.00 1.00 0.00 0.00 36.73 39.76 1hwp h TYR 62 CO 0.40 -0.44 0.00 -1.71 -0.00 0.00 0.00 178.16 176.41 1hwp n ASN 63 N -5.38 0.00 0.00 3.88 5.15 -1.26 -4.69 115.26 112.96 1hwp n ASN 63 Ca 0.00 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1hwp n ASN 63 Cb 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1hwp n ASN 63 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1hwp n GLY 64 N -0.89 2.96 3.56 8.20 0.00 0.80 -4.99 105.19 114.84 1hwp n GLY 64 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1hwp n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hwp n ASP 65 N 0.22 2.68 -4.70 1.61 9.92 -1.26 -4.47 116.55 120.55 1hwp n ASP 65 Ca 0.00 -0.11 -0.35 0.00 -0.53 0.00 0.00 54.79 53.81 1hwp n ASP 65 Cb 0.00 -1.53 -0.09 0.00 -0.64 0.00 0.00 41.12 38.86 1hwp n ASP 65 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1hwp s THR 66 N 10.04 5.18 0.03 -3.53 -1.32 -1.26 -1.75 115.64 123.02 1hwp s THR 66 Ca 1.01 0.10 0.03 0.00 -1.21 0.00 0.00 61.69 61.63 1hwp s THR 66 Cb -0.33 -3.35 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 1hwp s THR 66 CO 0.32 0.46 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.47 1hwp s VAL 67 N 0.28 3.87 -0.08 5.08 1.01 0.10 -4.91 120.40 125.75 1hwp s VAL 67 Ca 0.07 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1hwp s VAL 67 Cb -0.12 -2.74 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1hwp s VAL 67 CO -0.01 0.31 -0.22 0.42 0.00 0.00 0.00 175.10 175.61 1hwp s THR 68 N -1.10 1.84 -0.07 3.92 -4.23 -1.20 -0.54 115.64 114.25 1hwp s THR 68 Ca 0.20 -0.92 0.03 0.00 -1.18 0.00 0.00 61.69 59.82 1hwp s THR 68 Cb -0.11 -1.59 0.01 0.00 1.34 0.00 0.00 72.50 72.14 1hwp s THR 68 CO 0.11 0.51 -0.17 -0.44 -0.54 0.00 0.00 174.62 174.10 1hwp s SER 69 N 0.21 2.24 -0.04 3.99 0.01 -0.40 -0.71 113.70 118.99 1hwp s SER 69 Ca -0.12 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 56.52 1hwp s SER 69 Cb -0.16 -1.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 1hwp s SER 69 CO 0.06 0.09 0.68 0.00 0.41 0.00 0.00 173.24 174.47 1hwp s ALA 70 N 0.50 3.37 0.00 1.44 0.00 0.17 -0.47 121.76 126.78 1hwp s ALA 70 Ca -0.15 0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.92 1hwp s ALA 70 Cb -0.16 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 1hwp s ALA 70 CO 0.05 -0.03 0.11 0.14 0.00 0.00 0.00 175.76 176.04 1hwp s VAL 71 N 0.51 4.93 -0.50 0.00 -7.23 0.23 0.32 120.40 118.65 1hwp s VAL 71 Ca 0.36 -0.37 -0.25 0.00 -1.81 0.00 0.00 61.98 59.91 1hwp s VAL 71 Cb -0.18 -3.29 0.03 0.00 0.56 0.00 0.00 36.38 33.51 1hwp s VAL 71 CO 0.18 0.32 0.94 -0.62 -0.31 0.00 0.00 175.10 175.61 1hwp s ASP 72 N -1.88 6.43 0.66 4.85 -1.08 0.23 -1.36 116.67 124.52 1hwp s ASP 72 Ca 0.25 -0.08 0.23 0.00 -0.52 0.00 0.00 52.55 52.42 1hwp s ASP 72 Cb -0.12 -2.45 1.21 0.00 -1.46 0.00 0.00 42.92 40.10 1hwp s ASP 72 CO 0.16 -1.14 1.68 0.58 0.52 0.00 0.00 175.17 176.97 1hwp h VAL 73 N 6.06 0.03 -0.37 1.11 2.07 -1.77 0.63 116.25 124.01 1hwp h VAL 73 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1hwp h VAL 73 Cb 1.07 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1hwp h VAL 73 CO 1.06 0.00 0.00 0.35 0.02 0.00 0.00 177.57 179.00 1hwp n THR 74 N -2.86 1.28 -0.03 2.57 -2.24 -1.26 -4.41 114.28 107.32 1hwp n THR 74 Ca -0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1hwp n THR 74 Cb 0.58 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1hwp n THR 74 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1hwp n ASN 75 N 0.50 0.00 -2.88 3.42 0.23 -0.03 -4.83 115.26 111.66 1hwp n ASN 75 Ca 0.16 -0.01 -0.19 0.00 -0.53 0.00 0.00 54.58 54.00 1hwp n ASN 75 Cb 0.66 0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.42 1hwp n ASN 75 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1hwp n LEU 76 N 0.00 -2.98 -4.87 -4.53 4.77 0.20 -4.98 117.00 104.61 1hwp n LEU 76 Ca 0.00 -0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 55.26 1hwp n LEU 76 Cb 0.00 -2.54 -0.05 0.00 -2.33 0.00 0.00 43.42 38.50 1hwp n LEU 76 CO 0.00 0.45 0.15 -0.31 -1.33 0.00 0.00 177.39 176.35 1hwp s TYR 77 N -3.21 3.52 -1.23 -1.77 1.51 -1.20 -4.71 117.35 110.26 1hwp s TYR 77 Ca 0.42 0.84 -0.17 0.00 -1.01 0.00 0.00 57.07 57.15 1hwp s TYR 77 Cb -0.19 -2.21 0.10 0.00 -0.11 0.00 0.00 41.96 39.55 1hwp s TYR 77 CO 0.52 0.41 1.59 -1.17 -1.11 0.00 0.00 175.55 175.79 1hwp s LEU 78 N -2.31 4.23 0.24 -1.29 2.96 -1.26 0.75 118.68 121.99 1hwp s LEU 78 Ca 0.40 -2.50 -0.04 0.00 -0.22 0.00 0.00 54.13 51.76 1hwp s LEU 78 Cb -0.13 -2.52 0.42 0.00 0.50 0.00 0.00 46.19 44.46 1hwp s LEU 78 CO 0.20 -1.07 1.77 0.58 -1.32 0.00 0.00 176.35 176.52 1hwp h VAL 79 N 5.42 0.80 -2.31 1.68 2.07 -0.46 -3.47 116.25 119.98 1hwp h VAL 79 Ca 0.37 -0.22 0.25 0.00 0.82 0.00 0.00 66.70 67.93 1hwp h VAL 79 Cb 0.89 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1hwp h VAL 79 CO 1.38 0.11 0.74 0.00 0.02 0.00 0.00 177.57 179.82 1hwp s ALA 80 N -6.02 -2.02 0.12 1.67 0.00 -1.10 -4.48 121.76 109.93 1hwp s ALA 80 Ca -0.12 -0.13 -0.13 0.00 0.00 0.00 0.00 51.96 51.57 1hwp s ALA 80 Cb 0.20 0.81 0.02 0.00 0.00 0.00 0.00 23.12 24.15 1hwp s ALA 80 CO 0.77 -1.10 0.33 -0.59 0.00 0.00 0.00 175.76 175.16 1hwp s PHE 81 N -2.11 0.01 -0.01 0.00 -0.00 -1.20 0.45 117.98 115.11 1hwp s PHE 81 Ca 0.25 -0.37 -0.03 0.00 -0.00 0.00 0.00 56.93 56.79 1hwp s PHE 81 Cb -0.01 0.12 0.00 0.00 -0.00 0.00 0.00 43.02 43.13 1hwp s PHE 81 CO 0.02 -0.67 0.06 0.45 -0.00 0.00 0.00 175.22 175.08 1hwp s SER 82 N -2.85 -0.01 -0.08 1.98 0.15 0.11 -1.65 113.70 111.35 1hwp s SER 82 Ca 0.06 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 1hwp s SER 82 Cb 0.03 0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1hwp s SER 82 CO -0.09 -0.11 0.06 0.00 1.20 0.00 0.00 173.24 174.29 1hwp s ALA 83 N -0.39 0.39 -0.01 5.45 0.00 0.50 -3.25 121.76 124.44 1hwp s ALA 83 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.88 1hwp s ALA 83 Cb -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1hwp s ALA 83 CO 0.00 -0.68 0.02 0.27 0.00 0.00 0.00 175.76 175.37 1hwp n ASN 84 N 5.26 -6.50 -2.25 0.00 6.94 -1.26 -2.18 115.26 115.27 1hwp n ASN 84 Ca -0.05 0.38 -0.10 0.00 -0.02 0.00 0.00 54.58 54.79 1hwp n ASN 84 Cb 0.50 -1.56 -0.01 0.00 -2.36 0.00 0.00 39.78 36.34 1hwp n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1hwp n GLY 85 N 1.24 -0.24 2.95 4.83 0.00 -1.26 -4.93 105.19 107.78 1hwp n GLY 85 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1hwp n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hwp s ASN 86 N -2.00 0.74 0.01 1.61 0.01 -0.93 -2.21 114.94 112.17 1hwp s ASN 86 Ca 0.00 -0.11 0.02 0.00 -0.71 0.00 0.00 52.86 52.06 1hwp s ASN 86 Cb 0.00 -0.16 -0.01 0.00 0.41 0.00 0.00 41.25 41.49 1hwp s ASN 86 CO 0.00 0.04 -0.07 -0.94 -1.51 0.00 0.00 177.10 174.62 1hwp s SER 87 N 0.12 0.78 -0.00 -1.22 1.04 -0.65 -0.37 113.70 113.39 1hwp s SER 87 Ca -0.01 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.23 1hwp s SER 87 Cb -0.05 -0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 1hwp s SER 87 CO -0.00 0.01 -0.11 -0.31 0.98 0.00 0.00 173.24 173.81 1hwp s TYR 88 N -0.45 0.96 0.00 5.02 1.51 -0.66 -2.78 117.35 120.95 1hwp s TYR 88 Ca -0.01 -0.21 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 1hwp s TYR 88 Cb -0.04 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1hwp s TYR 88 CO -0.00 -0.01 -0.11 -0.06 -1.11 0.00 0.00 175.55 174.25 1hwp s PHE 89 N -0.35 1.02 1.14 2.71 0.40 -1.25 -3.26 117.98 118.40 1hwp s PHE 89 Ca 0.03 -0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 56.00 1hwp s PHE 89 Cb -0.05 -0.64 0.23 0.00 0.51 0.00 0.00 43.02 43.07 1hwp s PHE 89 CO -0.00 -0.01 0.79 1.19 0.70 0.00 0.00 175.22 177.89 1hwp n PHE 90 N 2.58 -1.14 -0.32 0.36 3.72 -1.26 0.86 117.46 122.26 1hwp n PHE 90 Ca -0.15 -0.03 0.29 0.00 -0.05 0.00 0.00 57.45 57.51 1hwp n PHE 90 Cb 0.56 -1.70 0.63 0.00 -0.94 0.00 0.00 39.48 38.03 1hwp n PHE 90 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1hwp h LYS 91 N -2.46 0.19 0.00 -1.08 3.64 -1.75 -2.81 116.57 112.30 1hwp h LYS 91 Ca -0.58 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1hwp h LYS 91 Cb 1.33 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1hwp h LYS 91 CO 0.46 0.13 0.00 -0.25 -2.27 0.00 0.00 179.45 177.51 1hwp n ASP 92 N -4.43 0.00 -2.77 4.20 8.00 -1.26 -4.98 116.55 115.31 1hwp n ASP 92 Ca 0.26 0.19 -0.04 0.00 0.71 0.00 0.00 54.79 55.91 1hwp n ASP 92 Cb 1.06 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.13 1hwp n ASP 92 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hwp n ALA 93 N -1.80 -2.80 -2.22 2.24 0.00 -1.06 -4.98 120.51 109.88 1hwp n ALA 93 Ca 0.00 1.60 -0.27 0.00 0.00 0.00 0.00 53.44 54.76 1hwp n ALA 93 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.16 1hwp n ALA 93 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1hwp s THR 94 N -0.47 4.73 0.51 0.00 -4.23 -1.26 -4.89 115.64 110.03 1hwp s THR 94 Ca -0.19 0.21 0.19 0.00 -1.18 0.00 0.00 61.69 60.72 1hwp s THR 94 Cb 0.01 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 70.30 1hwp s THR 94 CO 0.53 -0.82 2.12 -0.33 -0.54 0.00 0.00 174.62 175.58 1hwp h GLU 95 N 0.14 0.00 0.10 3.99 4.39 -1.96 -0.24 114.58 121.00 1hwp h GLU 95 Ca -0.47 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.24 1hwp h GLU 95 Cb 1.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1hwp h GLU 95 CO 0.61 0.06 -0.14 1.25 -1.16 0.00 0.00 179.01 179.64 1hwp h LEU 96 N 0.00 -0.38 -0.00 1.33 5.85 -1.93 0.48 115.31 120.67 1hwp h LEU 96 Ca -0.00 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1hwp h LEU 96 Cb 0.11 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1hwp h LEU 96 CO 0.01 -0.21 -0.24 0.06 -0.34 0.00 0.00 178.44 177.72 1hwp h GLN 97 N -0.28 0.17 0.00 1.25 3.07 -1.87 -3.12 115.11 114.33 1hwp h GLN 97 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.58 1hwp h GLN 97 Cb 0.29 0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.90 1hwp h GLN 97 CO -0.07 0.91 0.13 0.87 0.09 0.00 0.00 178.83 180.76 1hwp h LYS 98 N -0.50 0.00 -0.25 0.06 1.57 -1.02 0.07 116.57 116.50 1hwp h LYS 98 Ca -0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1hwp h LYS 98 Cb 0.99 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.13 1hwp h LYS 98 CO 0.05 0.00 -0.65 0.43 -0.57 0.00 0.00 179.45 178.71 1hwp n SER 99 N -2.65 2.67 0.00 0.86 7.64 0.16 -4.70 113.62 117.59 1hwp n SER 99 Ca -0.02 -3.69 0.00 0.00 1.01 0.00 0.00 58.87 56.17 1hwp n SER 99 Cb 0.18 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1hwp n SER 99 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1hwp n ASN 100 N -0.88 0.00 -4.44 6.43 3.02 -0.57 -4.96 115.26 113.85 1hwp n ASN 100 Ca 0.26 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.46 1hwp n ASN 100 Cb 0.81 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.85 1hwp n ASN 100 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1hwp s LEU 101 N 0.00 3.26 -1.30 3.41 1.43 -0.09 -4.23 118.68 121.16 1hwp s LEU 101 Ca 0.00 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 1hwp s LEU 101 Cb 0.00 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1hwp s LEU 101 CO 0.00 0.05 0.66 0.49 0.23 0.00 0.00 176.35 177.78 1hwp n PHE 102 N 4.34 -1.88 -2.11 0.29 3.01 -1.26 -4.88 117.46 114.98 1hwp n PHE 102 Ca -0.17 0.77 -0.43 0.00 1.01 0.00 0.00 57.45 58.64 1hwp n PHE 102 Cb 0.52 -4.14 -0.03 0.00 -0.01 0.00 0.00 39.48 35.83 1hwp n PHE 102 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1hwp s LEU 103 N -6.66 4.16 0.00 4.37 1.02 -1.26 -2.84 118.68 117.46 1hwp s LEU 103 Ca 0.08 1.95 0.00 0.00 0.02 0.00 0.00 54.13 56.18 1hwp s LEU 103 Cb -0.02 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.65 1hwp s LEU 103 CO 0.83 -1.01 0.00 0.61 0.02 0.00 0.00 176.35 176.80 1hwp n GLY 104 N 4.22 1.37 1.24 -3.19 0.00 -1.26 -5.12 105.19 102.45 1hwp n GLY 104 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1hwp n GLY 104 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1hwp n THR 105 N 0.00 0.00 -3.04 2.61 -2.24 -1.13 -5.00 114.28 105.48 1hwp n THR 105 Ca 0.00 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 60.91 1hwp n THR 105 Cb 0.00 -1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 66.78 1hwp n THR 105 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hwp s THR 106 N -1.12 4.89 -1.32 4.28 -4.23 -0.94 -4.86 115.64 112.33 1hwp s THR 106 Ca 0.22 1.05 -0.11 0.00 -1.18 0.00 0.00 61.69 61.67 1hwp s THR 106 Cb -0.01 -4.05 0.13 0.00 1.34 0.00 0.00 72.50 69.91 1hwp s THR 106 CO 0.15 -0.15 1.93 1.67 -0.54 0.00 0.00 174.62 177.68 1hwp n GLN 107 N 5.98 3.39 -3.58 3.99 -0.06 -1.26 -1.64 117.38 124.19 1hwp n GLN 107 Ca 0.01 -3.30 -0.40 0.00 -2.00 0.00 0.00 57.00 51.31 1hwp n GLN 107 Cb 0.48 -3.05 -0.11 0.00 -4.06 0.00 0.00 30.24 23.50 1hwp n GLN 107 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 1hwp s HIS 108 N 1.36 3.21 0.17 3.69 -3.43 -1.12 -5.01 115.29 114.16 1hwp s HIS 108 Ca 0.42 -0.42 -0.30 0.00 -0.80 0.00 0.00 55.06 53.96 1hwp s HIS 108 Cb 0.10 -2.43 -0.07 0.00 -1.43 0.00 0.00 32.58 28.74 1hwp s HIS 108 CO -0.02 -0.43 1.00 0.95 -2.00 0.00 0.00 174.74 174.25 1hwp s THR 109 N 1.67 4.14 0.00 -5.38 -4.23 -1.26 -3.77 115.64 106.80 1hwp s THR 109 Ca 0.05 1.91 0.00 0.00 -1.18 0.00 0.00 61.69 62.47 1hwp s THR 109 Cb -0.17 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.45 1hwp s THR 109 CO 0.09 0.36 0.00 0.18 -0.54 0.00 0.00 174.62 174.70 1hwp n LEU 110 N 2.23 0.00 -1.63 4.79 4.77 0.25 -4.85 117.00 122.56 1hwp n LEU 110 Ca 0.01 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.02 1hwp n LEU 110 Cb 0.47 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1hwp n LEU 110 CO 0.52 -0.31 0.09 -1.54 -1.33 0.00 0.00 177.39 174.82 1hwp n SER 111 N 0.00 1.30 -3.63 -1.43 3.41 -1.26 -4.32 113.62 107.68 1hwp n SER 111 Ca 0.00 -2.29 -0.04 0.00 -0.26 0.00 0.00 58.87 56.28 1hwp n SER 111 Cb 0.00 -0.36 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 1hwp n SER 111 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1hwp s PHE 112 N -1.13 -0.83 1.09 7.33 -0.12 -1.26 -4.82 117.98 118.24 1hwp s PHE 112 Ca 0.34 1.63 -0.13 0.00 -0.05 0.00 0.00 56.93 58.72 1hwp s PHE 112 Cb 0.38 0.50 0.22 0.00 -0.63 0.00 0.00 43.02 43.48 1hwp s PHE 112 CO -0.13 -0.41 0.90 0.25 -0.05 0.00 0.00 175.22 175.78 1hwp n THR 113 N 4.10 0.00 0.62 -4.49 -2.24 -1.26 -3.51 114.28 107.50 1hwp n THR 113 Ca -0.19 -0.29 0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1hwp n THR 113 Cb 0.58 -0.93 0.42 0.00 -2.10 0.00 0.00 70.33 68.30 1hwp n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwp n GLY 114 N 0.95 -1.21 3.59 3.38 0.00 -1.26 -4.27 105.19 106.37 1hwp n GLY 114 Ca 0.05 -0.04 -0.52 0.00 0.00 0.00 0.00 46.02 45.51 1hwp n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hwp n ASN 115 N -1.65 1.68 -0.30 1.61 5.03 -1.26 -4.71 115.26 115.66 1hwp n ASN 115 Ca 0.04 1.12 -0.11 0.00 0.87 0.00 0.00 54.58 56.50 1hwp n ASN 115 Cb 0.24 -1.20 -0.09 0.00 -1.02 0.00 0.00 39.78 37.72 1hwp n ASN 115 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1hwp h TYR 116 N 4.60 -1.73 -0.82 3.10 0.99 -2.00 0.32 116.97 121.43 1hwp h TYR 116 Ca -0.48 0.11 0.17 0.00 2.00 0.00 0.00 58.73 60.53 1hwp h TYR 116 Cb 1.33 0.86 -0.11 0.00 1.00 0.00 0.00 36.73 39.81 1hwp h TYR 116 CO 0.60 -0.42 0.34 -0.44 -0.00 0.00 0.00 178.16 178.24 1hwp h ASP 117 N -0.17 0.31 -0.81 3.88 3.32 -1.96 0.77 116.42 121.77 1hwp h ASP 117 Ca 0.14 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.37 1hwp h ASP 117 Cb 0.50 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1hwp h ASP 117 CO -0.80 0.08 0.50 0.78 -1.72 0.00 0.00 179.24 178.08 1hwp h ASN 118 N 0.45 0.78 0.21 6.45 2.35 -0.72 0.02 115.58 125.12 1hwp h ASN 118 Ca 0.47 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.22 1hwp h ASN 118 Cb 0.77 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1hwp h ASN 118 CO -0.45 0.51 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.67 1hwp h LEU 119 N 0.92 -0.24 -0.99 1.61 3.38 0.42 -2.34 115.31 118.07 1hwp h LEU 119 Ca 0.35 -0.29 0.18 0.00 0.09 0.00 0.00 57.88 58.22 1hwp h LEU 119 Cb 0.15 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.86 1hwp h LEU 119 CO -0.17 0.23 0.60 -0.33 0.09 0.00 0.00 178.44 178.87 1hwp h GLU 120 N -0.79 0.75 0.00 1.13 5.08 -0.90 0.56 114.58 120.41 1hwp h GLU 120 Ca -0.03 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1hwp h GLU 120 Cb 0.51 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1hwp h GLU 120 CO 0.05 0.49 -0.42 0.00 -1.00 0.00 0.00 179.01 178.13 1hwp h THR 121 N 0.77 1.16 0.00 1.13 1.03 -0.99 -1.87 112.91 114.14 1hwp h THR 121 Ca 0.57 -1.51 -0.12 0.00 -0.01 0.00 0.00 66.41 65.34 1hwp h THR 121 Cb 0.86 1.85 -0.02 0.00 -1.07 0.00 0.00 68.15 69.77 1hwp h THR 121 CO -0.38 0.41 -1.16 0.00 -0.01 0.00 0.00 175.52 174.39 1hwp h ALA 122 N 1.58 0.63 0.00 0.00 0.00 0.02 -3.31 119.26 118.18 1hwp h ALA 122 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1hwp h ALA 122 Cb 0.81 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1hwp h ALA 122 CO 0.05 0.65 -0.41 0.00 0.00 0.00 0.00 179.25 179.54 1hwp n ALA 123 N -2.32 3.21 -0.99 0.00 0.00 0.16 -4.81 120.51 115.77 1hwp n ALA 123 Ca -0.06 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1hwp n ALA 123 Cb 0.75 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1hwp n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hwp n GLY 124 N 1.48 0.41 3.21 0.00 0.00 -0.75 -4.84 105.19 104.69 1hwp n GLY 124 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1hwp n GLY 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hwp s THR 125 N -1.87 0.14 0.11 2.61 -4.23 -0.94 -5.04 115.64 106.41 1hwp s THR 125 Ca 0.00 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.39 1hwp s THR 125 Cb 0.00 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 1hwp s THR 125 CO 0.00 -0.63 0.19 -0.13 -0.54 0.00 0.00 174.62 173.51 1hwp s ARG 126 N -3.77 3.22 0.41 3.99 0.52 -1.26 -4.30 118.95 117.76 1hwp s ARG 126 Ca 0.04 -0.61 0.25 0.00 -0.52 0.00 0.00 55.73 54.88 1hwp s ARG 126 Cb 0.04 -2.88 1.31 0.00 0.52 0.00 0.00 34.95 33.94 1hwp s ARG 126 CO -0.11 0.55 1.65 0.00 0.02 0.00 0.00 175.30 177.42 1hwp h ARG 127 N 2.76 0.16 0.00 3.54 3.08 -1.96 0.14 114.38 122.10 1hwp h ARG 127 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1hwp h ARG 127 Cb 1.18 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1hwp h ARG 127 CO 0.69 0.11 0.13 -0.85 -1.07 0.00 0.00 179.97 178.98 1hwp n GLU 128 N -4.81 0.00 -2.82 0.04 0.00 -1.26 -2.54 120.64 109.25 1hwp n GLU 128 Ca 0.35 0.37 -0.11 0.00 0.00 0.00 0.00 57.16 57.77 1hwp n GLU 128 Cb 1.25 -1.63 0.04 0.00 0.00 0.00 0.00 31.44 31.10 1hwp n GLU 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1hwp n SER 129 N -1.38 0.20 -2.37 -1.84 3.41 0.49 -4.64 113.62 107.49 1hwp n SER 129 Ca -0.00 -2.86 -0.04 0.00 -0.26 0.00 0.00 58.87 55.71 1hwp n SER 129 Cb 0.13 0.03 0.05 0.00 -0.26 0.00 0.00 64.21 64.15 1hwp n SER 129 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1hwp n ILE 130 N -0.02 1.38 0.00 -1.33 5.41 -1.05 -4.81 119.36 118.94 1hwp n ILE 130 Ca 0.11 -2.92 0.00 0.00 1.00 0.00 0.00 62.75 60.94 1hwp n ILE 130 Cb 0.77 0.69 0.00 0.00 -0.71 0.00 0.00 39.64 40.39 1hwp n ILE 130 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1hwp n GLU 131 N -0.49 0.00 -4.12 0.38 -0.00 -1.26 -4.84 120.64 110.31 1hwp n GLU 131 Ca 0.15 0.00 -0.22 0.00 -0.00 0.00 0.00 57.16 57.09 1hwp n GLU 131 Cb 0.88 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 32.28 1hwp n GLU 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1hwp s LEU 132 N 0.00 3.78 0.00 -1.84 1.43 0.24 -4.78 118.68 117.52 1hwp s LEU 132 Ca 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1hwp s LEU 132 Cb 0.00 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1hwp s LEU 132 CO 0.00 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.16 1hwp n GLY 133 N -1.14 -1.17 0.22 -3.19 0.00 -1.26 -1.31 105.19 97.34 1hwp n GLY 133 Ca -0.08 -1.29 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 1hwp n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hwp h PRO 134 N 0.70 -0.48 -0.02 1.61 0.13 -1.82 -1.22 132.00 130.90 1hwp h PRO 134 Ca 0.00 0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1hwp h PRO 134 Cb 0.00 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.24 1hwp h PRO 134 CO 0.00 -0.27 -0.00 -0.91 -0.23 0.00 0.00 178.00 176.59 1hwp h ASN 135 N -0.57 0.04 -0.57 1.44 -0.26 -1.94 -2.64 115.58 111.08 1hwp h ASN 135 Ca -0.05 -0.37 0.16 0.00 -0.56 0.00 0.00 56.30 55.49 1hwp h ASN 135 Cb 0.43 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1hwp h ASN 135 CO 0.08 0.40 0.45 -0.65 -1.06 0.00 0.00 177.43 176.65 1hwp h PRO 136 N -0.31 0.00 -0.21 0.81 0.11 -1.86 0.18 132.00 130.72 1hwp h PRO 136 Ca 0.01 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.97 1hwp h PRO 136 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1hwp h PRO 136 CO 0.00 0.00 -0.45 1.25 -0.21 0.00 0.00 178.00 178.59 1hwp h LEU 137 N 0.00 0.76 0.10 2.35 6.46 -1.01 -1.77 115.31 122.20 1hwp h LEU 137 Ca 0.27 -0.55 -0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1hwp h LEU 137 Cb 1.16 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1hwp h LEU 137 CO -0.00 1.17 -0.05 -0.78 -0.62 0.00 0.00 178.44 178.16 1hwp h ASP 138 N 0.38 -0.12 -0.41 1.25 3.58 -0.33 -1.06 116.42 119.71 1hwp h ASP 138 Ca 0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1hwp h ASP 138 Cb 1.06 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 1hwp h ASP 138 CO 0.10 -0.08 0.27 1.23 -2.88 0.00 0.00 179.24 177.88 1hwp h GLY 139 N -0.13 0.58 0.21 -0.78 0.00 -1.27 -0.13 103.07 101.55 1hwp h GLY 139 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1hwp h GLY 139 CO 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 176.54 176.67 1hwp h ALA 140 N 1.74 -0.98 -0.75 3.60 0.00 -0.68 0.11 119.26 122.31 1hwp h ALA 140 Ca 0.15 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.17 1hwp h ALA 140 Cb -0.06 0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.71 1hwp h ALA 140 CO -0.03 -0.96 0.00 0.82 0.00 0.00 0.00 179.25 179.08 1hwp h ILE 141 N -0.30 0.35 -0.12 0.00 2.04 -1.10 0.01 117.51 118.38 1hwp h ILE 141 Ca -0.03 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1hwp h ILE 141 Cb 0.21 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1hwp h ILE 141 CO 0.05 0.02 -0.17 0.74 0.00 0.00 0.00 178.15 178.78 1hwp h THR 142 N 0.10 0.55 -0.77 -0.27 2.02 -0.95 0.43 112.91 114.03 1hwp h THR 142 Ca 0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.57 1hwp h THR 142 Cb 0.71 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1hwp h THR 142 CO -0.66 0.00 0.41 0.28 0.37 0.00 0.00 175.52 175.92 1hwp h SER 143 N -0.22 0.97 0.02 4.18 0.02 0.91 0.11 113.55 119.54 1hwp h SER 143 Ca 0.09 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 1hwp h SER 143 Cb 0.36 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1hwp h SER 143 CO -0.25 0.79 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.65 1hwp h LEU 144 N 1.08 0.59 0.67 5.07 3.38 -0.52 -1.70 115.31 123.88 1hwp h LEU 144 Ca 0.27 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1hwp h LEU 144 Cb 0.05 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1hwp h LEU 144 CO -0.04 0.99 -0.32 -0.25 0.09 0.00 0.00 178.44 178.91 1hwp h TRP 145 N 0.42 -0.83 0.00 1.13 2.91 0.58 -3.02 115.95 117.15 1hwp h TRP 145 Ca 0.02 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1hwp h TRP 145 Cb 1.03 0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 1hwp h TRP 145 CO 0.04 -0.52 0.00 0.66 -1.03 0.00 0.00 178.44 177.59 1hwp n TYR 146 N -5.32 0.00 0.00 2.65 4.01 0.32 -4.27 117.16 114.55 1hwp n TYR 146 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1hwp n TYR 146 Cb 0.35 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 1hwp n TYR 146 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1hwp n ASP 147 N -1.93 0.00 0.00 7.72 8.00 -0.67 -4.71 116.55 124.96 1hwp n ASP 147 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1hwp n ASP 147 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1hwp n ASP 147 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hwp n GLY 148 N -0.84 3.32 0.00 0.44 0.00 -1.13 -4.67 105.19 102.31 1hwp n GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1hwp n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hwp n GLY 149 N -1.65 0.60 3.96 -0.02 0.00 -1.03 -4.87 105.19 102.19 1hwp n GLY 149 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1hwp n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hwp s VAL 150 N 0.00 2.01 0.02 1.61 0.11 -1.26 -4.96 120.40 117.93 1hwp s VAL 150 Ca 0.00 -0.23 -0.25 0.00 -2.93 0.00 0.00 61.98 58.57 1hwp s VAL 150 Cb 0.00 -2.78 -0.14 0.00 -1.53 0.00 0.00 36.38 31.92 1hwp s VAL 150 CO 0.00 0.00 1.17 0.00 -3.33 0.00 0.00 175.10 172.94 1hwp h ALA 151 N -1.32 -1.04 -0.93 1.54 0.00 -1.91 -3.07 119.26 112.54 1hwp h ALA 151 Ca -0.41 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.47 1hwp h ALA 151 Cb 1.23 0.36 -0.17 0.00 0.00 0.00 0.00 17.79 19.21 1hwp h ALA 151 CO 0.35 -0.97 -0.28 -2.13 0.00 0.00 0.00 179.25 176.21 1hwp n ARG 152 N -4.96 -0.14 -0.27 0.00 0.63 -1.26 0.62 116.66 111.28 1hwp n ARG 152 Ca -0.11 1.44 -0.04 0.00 -0.92 0.00 0.00 57.85 58.22 1hwp n ARG 152 Cb 0.36 -2.15 0.08 0.00 0.45 0.00 0.00 32.46 31.20 1hwp n ARG 152 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1hwp h SER 153 N 0.00 0.81 -0.65 6.15 0.02 -1.91 -1.64 113.55 116.33 1hwp h SER 153 Ca 0.40 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1hwp h SER 153 Cb 0.63 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1hwp h SER 153 CO -0.94 0.57 0.27 0.25 -1.14 0.00 0.00 176.83 175.84 1hwp h LEU 154 N 0.95 0.88 -1.67 5.07 5.85 0.28 -2.06 115.31 124.61 1hwp h LEU 154 Ca 0.29 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1hwp h LEU 154 Cb -0.04 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1hwp h LEU 154 CO -0.09 0.80 0.17 -0.07 -0.34 0.00 0.00 178.44 178.90 1hwp h LEU 155 N 0.90 0.34 -0.74 2.25 3.38 -0.22 0.36 115.31 121.57 1hwp h LEU 155 Ca 0.22 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 1hwp h LEU 155 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1hwp h LEU 155 CO -0.02 0.27 -0.49 0.58 0.09 0.00 0.00 178.44 178.87 1hwp h VAL 156 N 0.39 1.33 0.05 1.22 2.07 -0.64 -3.25 116.25 117.42 1hwp h VAL 156 Ca 0.10 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 1hwp h VAL 156 Cb -0.00 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1hwp h VAL 156 CO -0.02 0.52 -0.02 -0.07 0.02 0.00 0.00 177.57 177.99 1hwp h LEU 157 N 0.28 -0.06 -0.98 2.57 4.07 -0.72 -3.13 115.31 117.35 1hwp h LEU 157 Ca 0.01 -0.57 0.24 0.00 0.08 0.00 0.00 57.88 57.64 1hwp h LEU 157 Cb 0.96 0.02 -0.18 0.00 1.08 0.00 0.00 40.66 42.53 1hwp h LEU 157 CO 0.08 0.66 -0.07 0.40 -1.08 0.00 0.00 178.44 178.44 1hwp h ILE 158 N -0.91 0.03 -0.01 1.22 2.04 -1.06 -0.13 117.51 118.69 1hwp h ILE 158 Ca -0.01 -0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.65 1hwp h ILE 158 Cb 0.63 0.02 0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1hwp h ILE 158 CO 0.01 0.00 -0.79 1.56 0.00 0.00 0.00 178.15 178.94 1hwp h GLN 159 N 0.01 0.56 0.00 2.37 4.20 -1.70 -2.27 115.11 118.27 1hwp h GLN 159 Ca 0.55 -0.58 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1hwp h GLN 159 Cb 1.03 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 1hwp h GLN 159 CO -0.94 1.20 -0.00 0.52 -0.67 0.00 0.00 178.83 178.94 1hwp h MET 160 N 0.15 0.00 0.00 1.46 2.86 -1.01 -2.47 114.93 115.91 1hwp h MET 160 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1hwp h MET 160 Cb 1.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.13 1hwp h MET 160 CO 0.16 0.00 0.00 0.28 1.06 0.00 0.00 176.91 178.41 1hwp n VAL 161 N -3.88 0.00 -0.08 -2.22 0.31 -0.49 -4.51 118.33 107.46 1hwp n VAL 161 Ca -0.03 0.02 -0.07 0.00 -0.01 0.00 0.00 64.34 64.25 1hwp n VAL 161 Cb 0.08 -0.79 -0.01 0.00 -0.91 0.00 0.00 33.84 32.22 1hwp n VAL 161 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1hwp h PRO 162 N 0.00 -0.22 -0.26 5.55 0.11 -1.67 0.53 132.00 136.04 1hwp h PRO 162 Ca 0.00 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.18 1hwp h PRO 162 Cb 0.00 0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.10 1hwp h PRO 162 CO 0.00 -0.15 -0.13 0.93 -0.21 0.00 0.00 178.00 178.44 1hwp h GLU 163 N -0.23 -0.10 0.00 1.05 3.07 -1.44 0.72 114.58 117.64 1hwp h GLU 163 Ca 0.16 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1hwp h GLU 163 Cb 0.48 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1hwp h GLU 163 CO -0.46 -0.07 -0.01 0.00 -1.40 0.00 0.00 179.01 177.08 1hwp h ALA 164 N 1.10 1.02 -0.08 3.43 0.00 -0.90 0.34 119.26 124.15 1hwp h ALA 164 Ca 0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1hwp h ALA 164 Cb 0.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1hwp h ALA 164 CO -0.32 0.02 -0.65 0.00 0.00 0.00 0.00 179.25 178.29 1hwp h ALA 165 N 1.99 0.73 0.00 0.00 0.00 0.24 -3.29 119.26 118.93 1hwp h ALA 165 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1hwp h ALA 165 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hwp h ALA 165 CO 0.00 0.74 -1.72 2.89 0.00 0.00 0.00 179.25 181.16 1hwp n ARG 166 N -3.86 0.62 -3.98 0.00 1.85 -0.80 -4.53 116.66 105.97 1hwp n ARG 166 Ca -0.03 -0.15 -0.31 0.00 -1.00 0.00 0.00 57.85 56.36 1hwp n ARG 166 Cb 0.65 -1.44 -0.15 0.00 -1.05 0.00 0.00 32.46 30.47 1hwp n ARG 166 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1hwp s PHE 167 N -3.24 2.78 0.01 2.89 0.40 0.11 -0.36 117.98 120.57 1hwp s PHE 167 Ca -0.05 -2.07 0.32 0.00 -0.60 0.00 0.00 56.93 54.53 1hwp s PHE 167 Cb 0.12 -1.84 1.39 0.00 0.51 0.00 0.00 43.02 43.21 1hwp s PHE 167 CO 0.79 -0.83 1.95 0.00 0.70 0.00 0.00 175.22 177.83 1hwp h ARG 168 N 7.87 0.00 -0.14 0.44 3.08 -1.14 -1.94 114.38 122.55 1hwp h ARG 168 Ca -0.17 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1hwp h ARG 168 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1hwp h ARG 168 CO 0.44 0.00 0.01 -0.92 -1.07 0.00 0.00 179.97 178.43 1hwp h TYR 169 N 0.00 0.25 -0.10 3.04 3.20 -1.75 -0.54 116.97 121.07 1hwp h TYR 169 Ca 0.00 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 1hwp h TYR 169 Cb 0.39 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1hwp h TYR 169 CO 0.00 0.45 -0.28 0.82 -1.64 0.00 0.00 178.16 177.50 1hwp h ILE 170 N -0.01 1.24 0.79 1.81 2.04 -1.72 -1.07 117.51 120.58 1hwp h ILE 170 Ca 0.04 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 1hwp h ILE 170 Cb 0.34 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1hwp h ILE 170 CO 0.01 0.34 -0.47 -0.08 0.00 0.00 0.00 178.15 177.95 1hwp h GLU 171 N 0.16 -1.13 -0.21 2.37 4.81 -0.82 -1.23 114.58 118.54 1hwp h GLU 171 Ca 0.02 0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1hwp h GLU 171 Cb 0.59 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1hwp h GLU 171 CO 0.04 -0.75 0.04 0.37 -0.73 0.00 0.00 179.01 177.98 1hwp h GLN 172 N -1.17 0.29 -0.36 1.92 5.75 -0.97 0.31 115.11 120.87 1hwp h GLN 172 Ca -0.10 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1hwp h GLN 172 Cb 0.94 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 1hwp h GLN 172 CO 0.12 0.28 0.10 0.93 -2.65 0.00 0.00 178.83 177.60 1hwp h GLU 173 N 0.29 0.53 0.19 1.69 4.39 -0.78 0.57 114.58 121.46 1hwp h GLU 173 Ca 0.07 -0.08 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 1hwp h GLU 173 Cb 0.13 -0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1hwp h GLU 173 CO -0.00 0.48 -1.57 0.28 -1.16 0.00 0.00 179.01 177.04 1hwp h VAL 174 N 0.52 1.07 -0.88 3.13 2.07 -0.12 -2.97 116.25 119.07 1hwp h VAL 174 Ca 0.12 -2.54 0.10 0.00 0.82 0.00 0.00 66.70 65.21 1hwp h VAL 174 Cb 0.19 2.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.75 1hwp h VAL 174 CO -0.01 0.81 0.57 0.03 0.02 0.00 0.00 177.57 179.00 1hwp h ARG 175 N 0.01 0.82 0.00 1.57 3.08 0.02 0.23 114.38 120.12 1hwp h ARG 175 Ca -0.31 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.52 1hwp h ARG 175 Cb 2.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 31.87 1hwp h ARG 175 CO 0.18 0.54 -0.83 -0.09 -1.07 0.00 0.00 179.97 178.70 1hwp h ARG 176 N 0.84 0.00 -0.21 0.04 2.43 -1.00 -1.77 114.38 114.71 1hwp h ARG 176 Ca 0.41 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 1hwp h ARG 176 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1hwp h ARG 176 CO -0.18 0.83 0.10 1.03 -1.51 0.00 0.00 179.97 180.25 1hwp h SER 177 N 0.00 0.28 0.59 -3.80 0.87 -0.46 0.17 113.55 111.21 1hwp h SER 177 Ca -0.01 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.25 1hwp h SER 177 Cb 1.51 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 1hwp h SER 177 CO 0.11 0.33 -0.78 -0.07 -0.53 0.00 0.00 176.83 175.89 1hwp h LEU 178 N 0.21 0.18 -0.62 2.23 3.38 -1.04 0.23 115.31 119.88 1hwp h LEU 178 Ca 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1hwp h LEU 178 Cb 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1hwp h LEU 178 CO -0.01 0.89 0.32 -0.61 0.09 0.00 0.00 178.44 179.12 1hwp h GLN 179 N 0.09 0.88 -0.23 1.13 4.15 -1.05 -2.45 115.11 117.63 1hwp h GLN 179 Ca -0.03 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1hwp h GLN 179 Cb 1.37 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1hwp h GLN 179 CO 0.11 0.69 0.00 1.04 -1.93 0.00 0.00 178.83 178.74 1hwp n GLN 180 N -4.53 2.36 -4.05 1.69 1.13 0.03 -4.96 117.38 109.04 1hwp n GLN 180 Ca 0.04 -2.02 -0.32 0.00 -1.94 0.00 0.00 57.00 52.77 1hwp n GLN 180 Cb 0.11 -1.49 -0.00 0.00 0.11 0.00 0.00 30.24 28.97 1hwp n GLN 180 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1hwp n LEU 181 N 1.30 -2.15 -4.12 1.08 -0.00 0.55 -4.96 117.00 108.71 1hwp n LEU 181 Ca 0.17 -0.92 -0.19 0.00 -0.00 0.00 0.00 56.01 55.07 1hwp n LEU 181 Cb 0.57 -2.30 -0.13 0.00 -0.00 0.00 0.00 43.42 41.56 1hwp n LEU 181 CO 0.15 0.38 -0.45 0.28 -0.00 0.00 0.00 177.39 177.75 1hwp s THR 182 N -3.42 0.98 0.36 1.96 -1.32 0.32 -4.96 115.64 109.56 1hwp s THR 182 Ca 0.56 -0.93 -0.06 0.00 -1.21 0.00 0.00 61.69 60.05 1hwp s THR 182 Cb -0.29 -0.90 0.09 0.00 -1.51 0.00 0.00 72.50 69.88 1hwp s THR 182 CO 0.88 -0.02 0.45 -1.20 -2.21 0.00 0.00 174.62 172.52 1hwp n SER 183 N 1.96 -0.30 -3.63 8.08 7.64 -1.26 -4.50 113.62 121.62 1hwp n SER 183 Ca -0.18 -1.07 -0.03 0.00 1.01 0.00 0.00 58.87 58.60 1hwp n SER 183 Cb 0.55 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 1hwp n SER 183 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1hwp s PHE 184 N -1.94 -0.06 0.04 1.43 -0.12 -0.43 -4.97 117.98 111.93 1hwp s PHE 184 Ca 0.26 0.04 0.08 0.00 -0.05 0.00 0.00 56.93 57.26 1hwp s PHE 184 Cb -0.01 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.85 1hwp s PHE 184 CO 0.19 -0.09 -0.21 0.95 -0.05 0.00 0.00 175.22 176.01 1hwp s THR 185 N -2.06 2.54 0.28 -4.49 -4.23 -1.26 0.83 115.64 107.25 1hwp s THR 185 Ca 0.11 -1.25 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 1hwp s THR 185 Cb -0.01 -2.04 -0.13 0.00 1.34 0.00 0.00 72.50 71.67 1hwp s THR 185 CO -0.04 0.36 1.41 -2.65 -0.54 0.00 0.00 174.62 173.17 1hwp n PRO 186 N 1.67 2.22 -2.70 3.99 -0.02 -1.26 -5.00 135.00 133.90 1hwp n PRO 186 Ca -0.16 0.79 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 1hwp n PRO 186 Cb 0.52 -2.45 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1hwp n PRO 186 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1hwp s ASN 187 N 0.15 4.79 0.24 2.55 2.20 -1.26 -4.71 114.94 118.89 1hwp s ASN 187 Ca 0.63 -0.37 -0.05 0.00 -0.94 0.00 0.00 52.86 52.13 1hwp s ASN 187 Cb -0.59 -0.21 0.41 0.00 -2.00 0.00 0.00 41.25 38.86 1hwp s ASN 187 CO 0.53 -1.53 1.75 0.00 -2.94 0.00 0.00 177.10 174.92 1hwp h ALA 188 N -0.18 1.03 0.22 3.54 0.00 -1.83 -1.23 119.26 120.81 1hwp h ALA 188 Ca -0.37 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1hwp h ALA 188 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1hwp h ALA 188 CO 0.44 -0.14 -0.10 1.25 0.00 0.00 0.00 179.25 180.69 1hwp h LEU 189 N 0.51 -0.25 -0.91 0.00 5.85 -1.74 0.65 115.31 119.42 1hwp h LEU 189 Ca 0.39 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.37 1hwp h LEU 189 Cb 0.52 0.06 -0.15 0.00 0.37 0.00 0.00 40.66 41.46 1hwp h LEU 189 CO -0.34 -0.17 0.20 -0.03 -0.34 0.00 0.00 178.44 177.76 1hwp h MET 190 N -0.30 0.14 -0.29 1.25 4.05 -1.85 0.65 114.93 118.59 1hwp h MET 190 Ca -0.03 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.27 1hwp h MET 190 Cb 0.22 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.98 1hwp h MET 190 CO 0.05 0.09 -0.29 -0.07 0.23 0.00 0.00 176.91 176.92 1hwp h LEU 191 N 0.15 0.61 0.55 3.39 3.38 -1.19 -1.86 115.31 120.33 1hwp h LEU 191 Ca 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 1hwp h LEU 191 Cb 1.21 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1hwp h LEU 191 CO -0.72 0.87 -0.26 0.77 0.09 0.00 0.00 178.44 179.19 1hwp h SER 192 N 0.51 -0.62 0.14 -0.43 4.64 0.27 -2.18 113.55 115.87 1hwp h SER 192 Ca 0.07 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1hwp h SER 192 Cb 0.76 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1hwp h SER 192 CO 0.06 -0.28 -0.01 0.00 -0.87 0.00 0.00 176.83 175.74 1hwp h MET 193 N -1.00 0.00 -0.19 4.77 -0.00 -1.14 0.16 114.93 117.53 1hwp h MET 193 Ca -0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.49 1hwp h MET 193 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.23 1hwp h MET 193 CO 0.12 0.01 -0.45 0.93 -0.00 0.00 0.00 176.91 177.51 1hwp h GLU 194 N 0.00 0.48 0.00 -0.10 5.08 -0.97 -3.04 114.58 116.02 1hwp h GLU 194 Ca -0.00 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1hwp h GLU 194 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1hwp h GLU 194 CO 0.00 0.84 -0.80 0.09 -1.00 0.00 0.00 179.01 178.14 1hwp n ASN 195 N -4.00 0.69 -1.95 1.42 3.02 0.41 -4.22 115.26 110.64 1hwp n ASN 195 Ca -0.02 0.06 -0.19 0.00 -0.03 0.00 0.00 54.58 54.40 1hwp n ASN 195 Cb 0.54 0.39 0.18 0.00 -0.61 0.00 0.00 39.78 40.28 1hwp n ASN 195 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hwp n ASN 196 N -2.16 3.45 -0.08 6.41 5.03 -0.33 -4.60 115.26 122.99 1hwp n ASN 196 Ca 0.02 -3.66 -0.13 0.00 0.87 0.00 0.00 54.58 51.68 1hwp n ASN 196 Cb 0.46 -0.79 -0.05 0.00 -1.02 0.00 0.00 39.78 38.38 1hwp n ASN 196 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.26 175.18 1hwp h TRP 197 N 1.02 0.66 0.17 3.10 7.01 -1.73 -2.30 115.95 123.88 1hwp h TRP 197 Ca 0.53 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 61.33 1hwp h TRP 197 Cb 2.52 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 29.44 1hwp h TRP 197 CO 1.45 0.87 -0.08 1.03 -2.79 0.00 0.00 178.44 178.92 1hwp h SER 198 N 0.25 -0.19 0.00 2.65 0.87 -1.93 -1.29 113.55 113.92 1hwp h SER 198 Ca 0.04 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1hwp h SER 198 Cb 0.74 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1hwp h SER 198 CO 0.05 0.08 0.00 -1.20 -0.53 0.00 0.00 176.83 175.23 1hwp n SER 199 N -5.08 0.00 0.12 6.23 7.64 -1.24 -1.48 113.62 119.82 1hwp n SER 199 Ca -0.09 0.98 0.19 0.00 1.01 0.00 0.00 58.87 60.96 1hwp n SER 199 Cb 0.20 -0.48 0.67 0.00 -1.01 0.00 0.00 64.21 63.59 1hwp n SER 199 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hwp h MET 200 N 0.00 0.00 0.66 1.43 -0.00 -1.52 -1.07 114.93 114.43 1hwp h MET 200 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 1hwp h MET 200 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 1hwp h MET 200 CO 0.00 0.00 -0.32 1.03 -0.00 0.00 0.00 176.91 177.62 1hwp h SER 201 N 0.00 -0.75 0.46 -0.10 0.87 -0.09 -2.63 113.55 111.30 1hwp h SER 201 Ca 0.18 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1hwp h SER 201 Cb 1.30 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 1hwp h SER 201 CO -0.00 -0.46 -0.29 0.17 -0.53 0.00 0.00 176.83 175.72 1hwp h LEU 202 N -1.04 0.00 -1.44 2.23 8.10 -0.58 -2.31 115.31 120.27 1hwp h LEU 202 Ca -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.89 1hwp h LEU 202 Cb 0.68 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.87 1hwp h LEU 202 CO 0.15 0.29 0.24 -0.33 -4.11 0.00 0.00 178.44 174.68 1hwp h GLU 203 N 0.00 0.62 0.05 0.17 4.39 -1.22 0.45 114.58 119.05 1hwp h GLU 203 Ca -0.00 -0.06 -0.25 0.00 0.34 0.00 0.00 59.36 59.39 1hwp h GLU 203 Cb 0.59 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1hwp h GLU 203 CO 0.04 0.46 -1.19 -0.24 -1.16 0.00 0.00 179.01 176.92 1hwp h VAL 204 N 0.63 1.52 0.00 3.13 3.04 -1.06 -3.10 116.25 120.41 1hwp h VAL 204 Ca 0.16 -3.19 -0.11 0.00 -1.01 0.00 0.00 66.70 62.56 1hwp h VAL 204 Cb 0.03 2.84 -0.02 0.00 -2.01 0.00 0.00 31.29 32.13 1hwp h VAL 204 CO -0.03 0.90 -0.51 1.56 -1.01 0.00 0.00 177.57 178.49 1hwp h GLN 205 N 0.03 0.00 0.66 4.17 4.20 -0.78 -2.16 115.11 121.23 1hwp h GLN 205 Ca -0.10 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1hwp h GLN 205 Cb 1.88 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.67 1hwp h GLN 205 CO 0.15 0.51 -0.32 -0.07 -0.67 0.00 0.00 178.83 178.43 1hwp h LEU 206 N 0.00 -0.75 -0.73 1.46 -0.00 -0.15 -3.18 115.31 111.96 1hwp h LEU 206 Ca -0.01 0.03 0.11 0.00 -0.00 0.00 0.00 57.88 58.02 1hwp h LEU 206 Cb 1.00 0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 41.78 1hwp h LEU 206 CO 0.07 -0.38 0.33 0.28 -0.00 0.00 0.00 178.44 178.74 1hwp h SER 207 N -1.20 0.38 -4.83 -0.43 0.02 -1.57 -3.48 113.55 102.43 1hwp h SER 207 Ca -0.09 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1hwp h SER 207 Cb 0.68 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1hwp h SER 207 CO 0.15 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.64 1hwp n GLY 208 N -1.31 -3.91 3.76 -3.77 0.00 -0.81 -4.69 105.19 94.46 1hwp n GLY 208 Ca 0.12 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1hwp n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hwp s ASP 209 N -0.57 6.73 -1.85 1.61 2.15 -1.26 -2.79 116.67 120.68 1hwp s ASP 209 Ca 0.00 2.66 0.00 0.00 0.43 0.00 0.00 52.55 55.64 1hwp s ASP 209 Cb 0.00 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1hwp s ASP 209 CO 0.00 -0.61 0.00 0.59 -0.17 0.00 0.00 175.17 174.98 1hwp n ASN 210 N 1.61 -5.28 -4.41 -0.34 3.02 -1.26 -4.93 115.26 103.66 1hwp n ASN 210 Ca 0.03 0.43 -0.34 0.00 -0.03 0.00 0.00 54.58 54.67 1hwp n ASN 210 Cb 0.41 -4.32 -0.13 0.00 -0.61 0.00 0.00 39.78 35.13 1hwp n ASN 210 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1hwp s VAL 211 N -2.59 3.69 -0.10 2.41 1.01 -1.12 -5.04 120.40 118.66 1hwp s VAL 211 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.56 1hwp s VAL 211 Cb 0.00 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.73 1hwp s VAL 211 CO 0.00 0.45 -0.02 -1.28 0.00 0.00 0.00 175.10 174.25 1hwp h SER 212 N 7.39 0.00 -4.20 3.32 0.87 -1.93 -3.44 113.55 115.56 1hwp h SER 212 Ca -0.35 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 59.68 1hwp h SER 212 Cb 1.18 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 63.30 1hwp h SER 212 CO 0.60 0.50 0.36 -2.16 -0.53 0.00 0.00 176.83 175.61 1hwp s PRO 213 N -1.61 1.97 -0.02 2.24 0.04 -1.26 -0.61 135.00 135.75 1hwp s PRO 213 Ca -0.02 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 1hwp s PRO 213 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1hwp s PRO 213 CO 0.03 -1.95 0.06 -0.06 0.04 0.00 0.00 177.00 175.12 1hwp s PHE 214 N -2.13 3.25 0.44 0.56 2.99 0.27 -4.69 117.98 118.67 1hwp s PHE 214 Ca 0.72 0.20 0.33 0.00 0.00 0.00 0.00 56.93 58.19 1hwp s PHE 214 Cb -0.28 -1.75 1.73 0.00 0.00 0.00 0.00 43.02 42.72 1hwp s PHE 214 CO 0.48 0.54 2.15 0.77 -0.00 0.00 0.00 175.22 179.16 1hwp h SER 215 N 4.36 0.00 0.00 1.36 0.02 -1.86 -3.44 113.55 113.99 1hwp h SER 215 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1hwp h SER 215 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1hwp h SER 215 CO 0.60 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.96 1hwp n GLY 216 N -0.73 5.46 3.19 -3.77 0.00 -1.26 -5.16 105.19 102.92 1hwp n GLY 216 Ca -0.02 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1hwp n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hwp s THR 217 N 2.54 0.04 -0.21 2.61 -4.23 -1.26 -4.71 115.64 110.42 1hwp s THR 217 Ca 0.00 -0.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.99 1hwp s THR 217 Cb 0.00 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1hwp s THR 217 CO 0.00 -0.20 0.37 -0.69 -0.54 0.00 0.00 174.62 173.56 1hwp s VAL 218 N -0.84 5.22 -1.13 2.29 1.01 -0.34 -4.95 120.40 121.65 1hwp s VAL 218 Ca -0.09 0.64 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 1hwp s VAL 218 Cb -0.05 -3.70 0.13 0.00 0.00 0.00 0.00 36.38 32.77 1hwp s VAL 218 CO 0.02 0.26 1.40 -1.58 0.00 0.00 0.00 175.10 175.21 1hwp s GLN 219 N 1.28 3.90 0.39 2.72 0.74 -1.26 -2.27 119.66 125.17 1hwp s GLN 219 Ca 0.18 -2.15 0.01 0.00 0.05 0.00 0.00 55.36 53.44 1hwp s GLN 219 Cb -0.15 -5.12 0.08 0.00 1.10 0.00 0.00 33.01 28.92 1hwp s GLN 219 CO 0.08 -1.88 0.54 1.28 -0.55 0.00 0.00 175.29 174.75 1hwp n LEU 220 N 6.59 0.00 -3.81 3.68 4.32 -0.60 -4.90 117.00 122.28 1hwp n LEU 220 Ca 0.35 -1.25 -0.12 0.00 -0.02 0.00 0.00 56.01 54.97 1hwp n LEU 220 Cb 0.46 -0.34 -0.10 0.00 -1.62 0.00 0.00 43.42 41.82 1hwp n LEU 220 CO 0.62 -0.74 -0.08 -1.10 -1.22 0.00 0.00 177.39 174.86 1hwp s GLN 221 N -3.82 0.50 0.64 3.23 -0.21 -1.26 -0.88 119.66 117.86 1hwp s GLN 221 Ca 0.37 -0.15 -0.02 0.00 0.02 0.00 0.00 55.36 55.58 1hwp s GLN 221 Cb -0.02 0.22 0.06 0.00 1.00 0.00 0.00 33.01 34.27 1hwp s GLN 221 CO 0.24 -0.12 0.91 -0.80 -2.12 0.00 0.00 175.29 173.40 1hwp s ASN 222 N -1.00 4.95 0.22 5.90 0.02 -0.06 -3.01 114.94 121.95 1hwp s ASN 222 Ca -0.11 0.14 -0.08 0.00 -1.02 0.00 0.00 52.86 51.79 1hwp s ASN 222 Cb -0.05 -0.86 0.27 0.00 0.02 0.00 0.00 41.25 40.62 1hwp s ASN 222 CO 0.02 -1.44 1.80 1.88 0.02 0.00 0.00 177.10 179.39 1hwp h TYR 223 N -0.30 0.69 0.00 2.20 0.99 -1.93 0.65 116.97 119.27 1hwp h TYR 223 Ca -0.42 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1hwp h TYR 223 Cb 1.30 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 38.82 1hwp h TYR 223 CO 0.26 0.31 0.00 -0.40 -0.00 0.00 0.00 178.16 178.34 1hwp n ASP 224 N -4.79 0.00 0.00 3.88 5.68 -1.26 -4.67 116.55 115.38 1hwp n ASP 224 Ca 0.09 0.29 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 1hwp n ASP 224 Cb 0.20 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.83 1hwp n ASP 224 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1hwp n HIS 225 N -1.34 0.00 -1.79 2.11 8.25 0.22 -5.05 115.22 117.62 1hwp n HIS 225 Ca 0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.10 1hwp n HIS 225 Cb 0.05 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.21 1hwp n HIS 225 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1hwp s THR 226 N -2.38 2.09 0.15 1.59 -4.23 -1.26 -4.60 115.64 107.02 1hwp s THR 226 Ca 0.00 0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.27 1hwp s THR 226 Cb 0.00 -3.03 -0.08 0.00 1.34 0.00 0.00 72.50 70.72 1hwp s THR 226 CO 0.00 -0.00 1.37 -2.84 -0.54 0.00 0.00 174.62 172.61 1hwp s PRO 227 N -3.04 4.34 -0.53 3.99 0.02 -1.26 -0.88 135.00 137.63 1hwp s PRO 227 Ca 0.75 2.09 0.01 0.00 0.02 0.00 0.00 61.00 63.86 1hwp s PRO 227 Cb -0.39 -3.22 0.14 0.00 0.02 0.00 0.00 34.50 31.05 1hwp s PRO 227 CO 0.45 -0.38 0.30 0.50 -0.33 0.00 0.00 177.00 177.54 1hwp s ARG 228 N 0.60 2.15 -0.38 5.54 6.06 -0.05 -4.82 118.95 128.04 1hwp s ARG 228 Ca 0.62 -2.44 -0.20 0.00 -2.50 0.00 0.00 55.73 51.21 1hwp s ARG 228 Cb -0.37 -3.49 0.01 0.00 0.06 0.00 0.00 34.95 31.16 1hwp s ARG 228 CO 0.34 -1.11 0.60 -0.51 -2.50 0.00 0.00 175.30 172.11 1hwp s LEU 229 N 0.05 4.37 -0.17 -0.88 1.43 -1.26 -1.55 118.68 120.67 1hwp s LEU 229 Ca 0.16 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 1hwp s LEU 229 Cb -0.23 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1hwp s LEU 229 CO -0.03 -0.61 0.33 0.54 0.23 0.00 0.00 176.35 176.81 1hwp s VAL 230 N 2.63 5.28 -1.19 -1.59 0.11 -0.96 -4.88 120.40 119.80 1hwp s VAL 230 Ca 0.22 0.61 0.13 0.00 -2.93 0.00 0.00 61.98 60.01 1hwp s VAL 230 Cb -0.15 -3.66 -0.01 0.00 -1.53 0.00 0.00 36.38 31.03 1hwp s VAL 230 CO 0.16 0.36 0.74 -0.90 -3.33 0.00 0.00 175.10 172.12 1hwp n ASP 231 N 3.77 1.39 -4.32 3.54 3.85 -1.26 -1.20 116.55 122.32 1hwp n ASP 231 Ca -0.11 -1.20 -0.18 0.00 -0.71 0.00 0.00 54.79 52.59 1hwp n ASP 231 Cb 0.52 0.50 -0.10 0.00 -1.35 0.00 0.00 41.12 40.68 1hwp n ASP 231 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1hwp s ASN 232 N -1.69 2.41 0.04 -1.12 2.20 -1.26 0.97 114.94 116.50 1hwp s ASN 232 Ca 0.11 -0.96 -0.21 0.00 -0.94 0.00 0.00 52.86 50.85 1hwp s ASN 232 Cb 0.11 -0.11 -0.14 0.00 -2.00 0.00 0.00 41.25 39.10 1hwp s ASN 232 CO 0.35 -0.16 1.42 0.15 -2.94 0.00 0.00 177.10 175.91 1hwp h PHE 233 N 2.86 0.30 -0.95 1.54 3.57 -1.16 -2.72 116.94 120.38 1hwp h PHE 233 Ca -0.39 -0.07 0.26 0.00 3.53 0.00 0.00 57.97 61.31 1hwp h PHE 233 Cb 1.21 -0.07 -0.14 0.00 2.79 0.00 0.00 35.95 39.74 1hwp h PHE 233 CO 0.69 0.57 0.45 0.93 -2.23 0.00 0.00 178.31 178.72 1hwp h GLU 234 N -0.06 0.35 0.05 1.11 3.07 -1.94 0.11 114.58 117.28 1hwp h GLU 234 Ca 0.03 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1hwp h GLU 234 Cb 0.48 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1hwp h GLU 234 CO 0.02 0.23 -0.03 0.93 -1.40 0.00 0.00 179.01 178.76 1hwp h GLU 235 N 0.36 -0.07 -0.92 2.33 4.39 -1.94 -1.79 114.58 116.95 1hwp h GLU 235 Ca 0.63 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.50 1hwp h GLU 235 Cb 1.31 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.87 1hwp h GLU 235 CO -0.58 0.34 0.52 1.25 -1.16 0.00 0.00 179.01 179.38 1hwp h LEU 236 N -0.49 0.65 0.14 1.33 5.85 -0.59 -2.00 115.31 120.20 1hwp h LEU 236 Ca -0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1hwp h LEU 236 Cb 0.44 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1hwp h LEU 236 CO 0.01 0.26 -0.07 0.22 -0.34 0.00 0.00 178.44 178.52 1hwp h TYR 237 N 0.70 -0.17 0.00 1.25 3.20 -0.87 0.39 116.97 121.47 1hwp h TYR 237 Ca 0.51 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.38 1hwp h TYR 237 Cb 0.75 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1hwp h TYR 237 CO -0.05 0.29 0.03 1.63 -1.64 0.00 0.00 178.16 178.41 1hwp n LYS 238 N -4.91 0.00 -0.00 1.82 5.02 -0.68 -0.04 118.16 119.37 1hwp n LYS 238 Ca -0.08 0.42 -0.04 0.00 -2.02 0.00 0.00 58.31 56.59 1hwp n LYS 238 Cb 0.27 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1hwp n LYS 238 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1hwp n ILE 239 N -1.41 1.02 0.63 -0.18 5.41 -0.78 -4.76 119.36 119.29 1hwp n ILE 239 Ca 0.00 0.21 0.13 0.00 1.00 0.00 0.00 62.75 64.09 1hwp n ILE 239 Cb 0.03 -1.72 0.36 0.00 -0.71 0.00 0.00 39.64 37.60 1hwp n ILE 239 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1hwp n THR 240 N -3.61 0.53 -2.74 1.39 -2.24 0.12 -4.77 114.28 102.97 1hwp n THR 240 Ca -0.07 -0.27 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1hwp n THR 240 Cb 0.27 -0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1hwp n THR 240 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwp n GLY 241 N 1.32 -0.50 3.64 3.38 0.00 0.94 -3.35 105.19 110.63 1hwp n GLY 241 Ca 0.05 0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1hwp n GLY 241 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1hwp n ILE 242 N -3.57 1.91 -0.63 -0.61 3.06 -1.26 -1.06 119.36 117.19 1hwp n ILE 242 Ca -0.10 -0.48 0.00 0.00 -2.50 0.00 0.00 62.75 59.67 1hwp n ILE 242 Cb 0.59 -1.27 0.00 0.00 0.54 0.00 0.00 39.64 39.50 1hwp n ILE 242 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1hwp n ALA 243 N 0.41 0.86 -3.71 1.51 0.00 0.51 -4.85 120.51 115.23 1hwp n ALA 243 Ca 0.08 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1hwp n ALA 243 Cb 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.64 1hwp n ALA 243 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1hwp s ILE 244 N -0.01 -0.16 -0.01 0.00 -1.09 -1.23 -4.45 121.20 114.23 1hwp s ILE 244 Ca 0.00 0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.65 1hwp s ILE 244 Cb 0.00 -0.32 -0.04 0.00 -1.58 0.00 0.00 42.46 40.52 1hwp s ILE 244 CO 0.00 0.10 0.08 -0.76 -1.23 0.00 0.00 174.94 173.13 1hwp s LEU 245 N 1.70 3.89 -0.11 2.97 1.43 -0.38 -4.90 118.68 123.28 1hwp s LEU 245 Ca -0.04 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.14 1hwp s LEU 245 Cb -0.12 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 1hwp s LEU 245 CO -0.07 0.28 0.16 -0.22 0.23 0.00 0.00 176.35 176.74 1hwp s LEU 246 N -1.67 4.40 0.35 1.79 2.96 -1.26 -1.51 118.68 123.73 1hwp s LEU 246 Ca 0.22 0.51 -0.28 0.00 -0.22 0.00 0.00 54.13 54.36 1hwp s LEU 246 Cb -0.12 -2.13 -0.10 0.00 0.50 0.00 0.00 46.19 44.34 1hwp s LEU 246 CO 0.13 0.40 1.25 0.12 -1.32 0.00 0.00 176.35 176.92 1hwp s PHE 247 N -1.04 3.10 0.10 5.38 5.36 -1.26 -4.63 117.98 125.00 1hwp s PHE 247 Ca 0.16 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1hwp s PHE 247 Cb -0.12 -3.56 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 1hwp s PHE 247 CO 0.05 -1.58 0.00 0.54 -1.46 0.00 0.00 175.22 172.78 1hwp n ARG 248 N 0.63 0.00 -4.29 10.12 5.12 -1.26 -5.01 116.66 121.97 1hwp n ARG 248 Ca 0.01 0.00 -0.16 0.00 -1.93 0.00 0.00 57.85 55.78 1hwp n ARG 248 Cb 0.43 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.63 1hwp n ARG 248 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1hwp s VAL 250 N -3.48 4.37 1.07 0.00 -7.23 -1.26 -5.03 120.40 108.85 1hwp s VAL 250 Ca 0.25 -1.12 -0.18 0.00 -1.81 0.00 0.00 61.98 59.13 1hwp s VAL 250 Cb 0.05 -3.22 0.06 0.00 0.56 0.00 0.00 36.38 33.83 1hwp s VAL 250 CO 0.06 -0.10 -0.05 0.00 -0.31 0.00 0.00 175.10 174.71 1hwp n ALA 251 N -0.28 -3.97 -0.45 1.32 0.00 -1.26 -5.06 120.51 110.81 1hwp n ALA 251 Ca -0.08 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.23 1hwp n ALA 251 Cb 0.55 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1hwp n ALA 251 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75