#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmp n ASN 2 N 0.00 0.82 0.03 6.43 3.02 -1.26 -4.73 115.26 119.57 1pmp n ASN 2 Ca 0.00 0.18 0.02 0.00 -0.03 0.00 0.00 54.58 54.75 1pmp n ASN 2 Cb 0.00 -0.20 0.03 0.00 -0.61 0.00 0.00 39.78 39.00 1pmp n ASN 2 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1pmp n LYS 3 N -3.44 0.01 0.10 3.52 4.76 -1.26 0.47 118.16 122.32 1pmp n LYS 3 Ca 0.00 0.21 -0.15 0.00 -2.87 0.00 0.00 58.31 55.49 1pmp n LYS 3 Cb 0.04 -0.54 -0.12 0.00 -1.84 0.00 0.00 35.03 32.58 1pmp n LYS 3 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1pmp h PHE 4 N 0.00 0.51 -2.61 2.13 0.04 -1.98 -3.46 116.94 111.57 1pmp h PHE 4 Ca 0.03 -0.35 -0.53 0.00 2.80 0.00 0.00 57.97 59.93 1pmp h PHE 4 Cb 0.49 -0.03 0.06 0.00 2.20 0.00 0.00 35.95 38.67 1pmp h PHE 4 CO 0.00 1.24 1.00 1.28 -0.60 0.00 0.00 178.31 181.23 1pmp n LEU 5 N -3.58 3.92 0.00 1.54 4.77 1.70 -4.60 117.00 120.75 1pmp n LEU 5 Ca -0.08 1.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 1pmp n LEU 5 Cb 0.98 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1pmp n LEU 5 CO 0.53 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1pmp n GLY 6 N 3.93 0.84 3.35 -0.72 0.00 -0.14 -4.96 105.19 107.49 1pmp n GLY 6 Ca 0.16 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1pmp n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pmp s THR 7 N -2.52 3.22 0.09 2.61 2.01 -1.26 0.17 115.64 119.97 1pmp s THR 7 Ca 0.00 -0.57 0.10 0.00 0.31 0.00 0.00 61.69 61.53 1pmp s THR 7 Cb 0.00 -2.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 1pmp s THR 7 CO 0.00 0.48 -0.26 0.26 -0.69 0.00 0.00 174.62 174.41 1pmp s TRP 8 N 0.87 2.25 -0.06 4.92 0.52 0.41 0.48 118.94 128.33 1pmp s TRP 8 Ca -0.02 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.76 1pmp s TRP 8 Cb -0.15 -1.27 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1pmp s TRP 8 CO 0.01 0.24 -0.25 -1.59 0.02 0.00 0.00 176.95 175.38 1pmp s LYS 9 N -1.71 2.60 0.32 4.98 -2.85 0.29 -0.32 119.74 123.06 1pmp s LYS 9 Ca 0.12 -0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 53.91 1pmp s LYS 9 Cb -0.10 -2.16 -0.11 0.00 -2.06 0.00 0.00 37.83 33.39 1pmp s LYS 9 CO 0.04 0.35 1.58 -1.17 0.10 0.00 0.00 175.35 176.25 1pmp s LEU 10 N -0.08 4.33 0.00 2.77 2.96 -1.09 -0.82 118.68 126.75 1pmp s LEU 10 Ca -0.06 3.00 0.00 0.00 -0.22 0.00 0.00 54.13 56.85 1pmp s LEU 10 Cb -0.14 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1pmp s LEU 10 CO 0.04 -0.92 0.00 0.52 -1.32 0.00 0.00 176.35 174.67 1pmp n VAL 11 N 1.73 0.00 -3.84 1.68 0.31 0.65 -4.87 118.33 113.99 1pmp n VAL 11 Ca 0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1pmp n VAL 11 Cb 0.38 -0.80 -0.14 0.00 -0.91 0.00 0.00 33.84 32.37 1pmp n VAL 11 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1pmp s SER 12 N -4.31 -0.05 0.04 4.52 0.15 -0.84 -4.98 113.70 108.22 1pmp s SER 12 Ca 0.00 0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.82 1pmp s SER 12 Cb 0.00 0.11 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 1pmp s SER 12 CO 0.00 -0.04 -0.14 -0.55 1.20 0.00 0.00 173.24 173.72 1pmp s SER 13 N 0.17 1.60 -0.05 5.45 0.15 -1.26 0.88 113.70 120.65 1pmp s SER 13 Ca -0.01 -0.46 -0.02 0.00 0.70 0.00 0.00 55.95 56.16 1pmp s SER 13 Cb -0.02 -0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.22 1pmp s SER 13 CO -0.00 0.02 0.11 -0.70 1.20 0.00 0.00 173.24 173.87 1pmp s GLU 14 N -1.15 0.07 -1.14 5.44 2.12 0.41 -4.88 118.70 119.58 1pmp s GLU 14 Ca 0.01 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.61 1pmp s GLU 14 Cb -0.08 -0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.18 1pmp s GLU 14 CO 0.01 -0.13 0.07 0.09 -0.54 0.00 0.00 175.26 174.76 1pmp n ASN 15 N 3.94 -4.08 0.08 -1.70 4.13 -1.26 -1.67 115.26 114.70 1pmp n ASN 15 Ca -0.24 0.11 -0.10 0.00 1.68 0.00 0.00 54.58 56.03 1pmp n ASN 15 Cb 0.53 -3.44 -0.02 0.00 -1.54 0.00 0.00 39.78 35.31 1pmp n ASN 15 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1pmp h PHE 16 N -0.15 0.39 -0.66 3.10 3.57 -1.89 -2.21 116.94 119.08 1pmp h PHE 16 Ca -0.33 -0.21 0.09 0.00 3.53 0.00 0.00 57.97 61.05 1pmp h PHE 16 Cb 1.24 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 1pmp h PHE 16 CO 0.68 1.02 0.31 0.22 -2.23 0.00 0.00 178.31 178.32 1pmp h ASP 17 N 0.15 0.39 0.97 0.41 3.58 -1.97 -1.64 116.42 118.32 1pmp h ASP 17 Ca -0.05 0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 1pmp h ASP 17 Cb 1.51 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.54 1pmp h ASP 17 CO 0.14 0.23 -0.61 -0.33 -2.88 0.00 0.00 179.24 175.79 1pmp h GLU 18 N 0.54 0.00 0.37 0.28 3.07 -1.94 -1.92 114.58 114.98 1pmp h GLU 18 Ca 0.33 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.17 1pmp h GLU 18 Cb 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1pmp h GLU 18 CO -0.27 0.61 -0.18 -0.92 -1.40 0.00 0.00 179.01 176.85 1pmp h TYR 19 N 0.00 -0.46 -0.11 4.33 3.20 -0.68 0.89 116.97 124.14 1pmp h TYR 19 Ca -0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 1pmp h TYR 19 Cb 1.26 0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.62 1pmp h TYR 19 CO 0.00 -0.19 -0.27 0.52 -1.64 0.00 0.00 178.16 176.57 1pmp h MET 20 N -0.67 -0.34 -0.46 1.82 2.86 -1.38 -1.09 114.93 115.68 1pmp h MET 20 Ca -0.05 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 1pmp h MET 20 Cb 0.48 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.12 1pmp h MET 20 CO 0.08 -0.23 -0.22 -0.22 1.06 0.00 0.00 176.91 177.38 1pmp h LYS 21 N -0.36 -0.12 0.00 1.72 3.64 -1.23 0.52 116.57 120.74 1pmp h LYS 21 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1pmp h LYS 21 Cb 0.50 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1pmp h LYS 21 CO -0.31 -0.08 0.04 0.00 -2.27 0.00 0.00 179.45 176.83 1pmp h ALA 22 N 1.16 1.03 0.00 5.00 0.00 0.24 0.15 119.26 126.85 1pmp h ALA 22 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pmp h ALA 22 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pmp h ALA 22 CO -0.53 -0.03 -0.90 1.28 0.00 0.00 0.00 179.25 179.06 1pmp n LEU 23 N -2.86 0.74 0.00 0.00 4.77 0.17 -4.95 117.00 114.86 1pmp n LEU 23 Ca -0.03 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1pmp n LEU 23 Cb 0.10 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1pmp n LEU 23 CO 0.17 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1pmp n GLY 24 N 1.27 0.91 3.77 -0.72 0.00 0.51 -5.07 105.19 105.86 1pmp n GLY 24 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1pmp n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pmp s VAL 25 N -2.02 2.59 0.20 1.61 1.01 -0.96 -5.00 120.40 117.84 1pmp s VAL 25 Ca 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 61.98 62.45 1pmp s VAL 25 Cb 0.00 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1pmp s VAL 25 CO 0.00 0.09 0.49 -0.83 0.00 0.00 0.00 175.10 174.85 1pmp s GLY 26 N -0.66 2.24 0.00 4.51 0.00 -1.26 -4.54 107.32 107.61 1pmp s GLY 26 Ca 0.55 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1pmp s GLY 26 CO 0.50 -0.27 0.00 1.04 0.00 0.00 0.00 173.10 174.37 1pmp n LEU 27 N -0.10 0.00 0.00 0.66 4.77 -1.26 -1.10 117.00 119.96 1pmp n LEU 27 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1pmp n LEU 27 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1pmp n LEU 27 CO 0.46 0.00 0.47 0.00 -1.33 0.00 0.00 177.39 176.99 1pmp n ALA 28 N -3.88 -0.10 -0.10 -1.18 0.00 -1.26 0.27 120.51 114.26 1pmp n ALA 28 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1pmp n ALA 28 Cb 0.00 0.36 0.59 0.00 0.00 0.00 0.00 19.45 20.40 1pmp n ALA 28 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pmp h THR 29 N 0.00 0.76 -0.26 0.00 2.02 -1.51 -1.20 112.91 112.73 1pmp h THR 29 Ca 0.00 -0.08 -0.17 0.00 0.77 0.00 0.00 66.41 66.93 1pmp h THR 29 Cb 0.00 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1pmp h THR 29 CO 0.00 0.04 -0.49 0.03 0.37 0.00 0.00 175.52 175.47 1pmp h ARG 30 N 0.24 0.79 -0.84 6.66 3.08 -0.90 0.51 114.38 123.91 1pmp h ARG 30 Ca 0.33 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.89 1pmp h ARG 30 Cb 0.95 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 1pmp h ARG 30 CO -0.07 1.13 0.55 1.57 -1.07 0.00 0.00 179.97 182.08 1pmp h LYS 31 N 0.53 1.08 -0.16 0.04 2.10 0.11 0.57 116.57 120.84 1pmp h LYS 31 Ca 0.01 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.48 1pmp h LYS 31 Cb 1.10 -0.24 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1pmp h LYS 31 CO 0.11 0.71 -0.37 -0.07 -2.00 0.00 0.00 179.45 177.84 1pmp h LEU 32 N 1.11 0.60 -0.63 7.07 3.38 -1.39 -2.93 115.31 122.53 1pmp h LEU 32 Ca 0.32 -0.57 0.13 0.00 0.09 0.00 0.00 57.88 57.85 1pmp h LEU 32 Cb -0.09 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 40.37 1pmp h LEU 32 CO -0.08 1.06 -0.09 1.23 0.09 0.00 0.00 178.44 180.65 1pmp h GLY 33 N 0.17 0.55 1.83 0.83 0.00 0.70 -1.89 103.07 105.26 1pmp h GLY 33 Ca -0.00 0.16 -0.19 0.00 0.00 0.00 0.00 47.33 47.29 1pmp h GLY 33 CO 0.08 -0.23 -0.86 3.43 0.00 0.00 0.00 176.54 178.95 1pmp h ASN 34 N 0.05 0.20 -0.02 0.19 2.35 -0.97 -3.28 115.58 114.10 1pmp h ASN 34 Ca 0.32 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1pmp h ASN 34 Cb 0.51 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1pmp h ASN 34 CO -0.61 0.97 0.00 0.18 -1.65 0.00 0.00 177.43 176.32 1pmp n LEU 35 N -3.64 0.81 -4.32 1.61 4.77 -0.72 -4.86 117.00 110.65 1pmp n LEU 35 Ca -0.03 -0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 55.27 1pmp n LEU 35 Cb 0.80 -0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1pmp n LEU 35 CO 0.47 0.18 -0.55 0.00 -1.33 0.00 0.00 177.39 176.17 1pmp s ALA 36 N -1.36 2.08 -0.66 -1.18 0.00 -1.16 -5.04 121.76 114.44 1pmp s ALA 36 Ca 0.02 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1pmp s ALA 36 Cb 0.01 -0.38 0.18 0.00 0.00 0.00 0.00 23.12 22.93 1pmp s ALA 36 CO 0.01 0.47 0.51 1.63 0.00 0.00 0.00 175.76 178.38 1pmp n LYS 37 N 1.50 1.73 -1.14 0.00 5.02 -1.26 -5.07 118.16 118.94 1pmp n LYS 37 Ca -0.18 -4.35 -0.31 0.00 -2.02 0.00 0.00 58.31 51.45 1pmp n LYS 37 Cb 0.53 -2.20 0.11 0.00 -0.02 0.00 0.00 35.03 33.45 1pmp n LYS 37 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1pmp s PRO 38 N -1.43 1.98 -0.10 1.97 0.04 -1.26 -4.75 135.00 131.45 1pmp s PRO 38 Ca 0.28 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.57 1pmp s PRO 38 Cb -0.01 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 1pmp s PRO 38 CO -0.15 -1.86 -0.15 1.03 0.04 0.00 0.00 177.00 175.90 1pmp s ARG 39 N -4.85 3.07 -0.07 4.56 0.52 0.99 -2.68 118.95 120.48 1pmp s ARG 39 Ca 0.62 -0.73 0.04 0.00 -0.52 0.00 0.00 55.73 55.15 1pmp s ARG 39 Cb -0.18 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 1pmp s ARG 39 CO 0.56 0.33 -0.19 0.08 0.02 0.00 0.00 175.30 176.10 1pmp s VAL 40 N 0.04 2.56 -0.32 3.52 1.01 0.57 -0.75 120.40 127.02 1pmp s VAL 40 Ca -0.06 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1pmp s VAL 40 Cb -0.15 -1.99 0.10 0.00 0.00 0.00 0.00 36.38 34.35 1pmp s VAL 40 CO 0.05 0.57 0.09 -0.63 0.00 0.00 0.00 175.10 175.17 1pmp s ILE 41 N -0.19 1.16 -0.09 2.22 1.01 -0.05 0.16 121.20 125.41 1pmp s ILE 41 Ca -0.01 -1.62 -0.21 0.00 0.00 0.00 0.00 60.65 58.81 1pmp s ILE 41 Cb -0.13 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1pmp s ILE 41 CO 0.03 -0.67 0.58 -0.63 0.00 0.00 0.00 174.94 174.25 1pmp s ILE 42 N 1.44 5.12 -0.01 2.92 1.01 0.13 -2.15 121.20 129.65 1pmp s ILE 42 Ca 0.10 1.18 -0.12 0.00 0.00 0.00 0.00 60.65 61.81 1pmp s ILE 42 Cb -0.18 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.39 1pmp s ILE 42 CO -0.21 0.30 0.24 -0.94 0.00 0.00 0.00 174.94 174.33 1pmp s SER 43 N 0.67 -0.10 -0.10 3.58 1.04 -0.47 -0.96 113.70 117.35 1pmp s SER 43 Ca 0.31 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.73 1pmp s SER 43 Cb -0.16 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1pmp s SER 43 CO 0.14 -0.42 -0.18 -0.75 0.98 0.00 0.00 173.24 173.01 1pmp s LYS 44 N -1.38 2.41 -0.27 4.02 2.20 -1.26 -0.65 119.74 124.81 1pmp s LYS 44 Ca -0.14 -0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 54.83 1pmp s LYS 44 Cb -0.06 -1.95 0.08 0.00 -1.51 0.00 0.00 37.83 34.39 1pmp s LYS 44 CO 0.03 0.02 0.03 0.21 -0.36 0.00 0.00 175.35 175.29 1pmp s LYS 45 N 0.74 1.10 6.78 4.03 2.20 -0.42 -4.99 119.74 129.16 1pmp s LYS 45 Ca -0.11 -1.04 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1pmp s LYS 45 Cb -0.16 -2.37 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 1pmp s LYS 45 CO 0.02 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 1pmp n GLY 46 N 4.75 2.07 0.15 5.54 0.00 -1.26 -2.41 105.19 114.02 1pmp n GLY 46 Ca -0.06 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.81 1pmp n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pmp n ASP 47 N 9.96 1.76 -4.63 1.61 5.68 -1.26 -4.98 116.55 124.68 1pmp n ASP 47 Ca 0.00 -1.56 -0.35 0.00 -0.50 0.00 0.00 54.79 52.38 1pmp n ASP 47 Cb 0.00 -0.03 -0.10 0.00 -1.14 0.00 0.00 41.12 39.85 1pmp n ASP 47 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1pmp s ILE 48 N -0.63 4.89 0.01 2.12 1.01 -1.01 -4.21 121.20 123.39 1pmp s ILE 48 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1pmp s ILE 48 Cb 0.03 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1pmp s ILE 48 CO 0.04 0.43 0.05 -0.63 0.00 0.00 0.00 174.94 174.84 1pmp s ILE 49 N 0.58 4.51 -0.06 2.92 1.01 0.76 -1.30 121.20 129.61 1pmp s ILE 49 Ca 0.04 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1pmp s ILE 49 Cb -0.13 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.28 1pmp s ILE 49 CO 0.01 0.32 -0.20 -0.89 0.00 0.00 0.00 174.94 174.18 1pmp s THR 50 N -1.19 1.68 -0.17 2.92 2.01 0.18 0.72 115.64 121.79 1pmp s THR 50 Ca 0.23 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1pmp s THR 50 Cb -0.12 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 70.97 1pmp s THR 50 CO 0.14 0.47 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.71 1pmp s ILE 51 N 0.06 2.04 -0.20 1.82 1.01 0.75 -1.36 121.20 125.32 1pmp s ILE 51 Ca -0.07 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1pmp s ILE 51 Cb -0.13 -1.83 0.05 0.00 0.01 0.00 0.00 42.46 40.55 1pmp s ILE 51 CO 0.04 0.54 -0.09 -0.60 0.00 0.00 0.00 174.94 174.83 1pmp s ARG 52 N 1.19 1.88 -0.32 2.79 3.52 -0.91 -1.65 118.95 125.45 1pmp s ARG 52 Ca 0.02 -0.84 -0.10 0.00 -0.13 0.00 0.00 55.73 54.68 1pmp s ARG 52 Cb -0.14 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 1pmp s ARG 52 CO -0.11 -0.46 0.17 0.99 -0.81 0.00 0.00 175.30 175.08 1pmp s THR 53 N 1.42 4.76 -0.05 4.11 2.01 -0.20 -0.87 115.64 126.82 1pmp s THR 53 Ca -0.02 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1pmp s THR 53 Cb -0.17 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 1pmp s THR 53 CO -0.08 0.06 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.15 1pmp s GLU 54 N 1.64 2.52 -0.11 4.92 2.02 0.07 -0.19 118.70 129.57 1pmp s GLU 54 Ca 0.05 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 54.03 1pmp s GLU 54 Cb -0.17 -2.37 0.10 0.00 0.10 0.00 0.00 34.13 31.79 1pmp s GLU 54 CO 0.07 0.60 0.87 -1.54 0.02 0.00 0.00 175.26 175.28 1pmp s SER 55 N -0.68 -0.48 0.27 -0.19 1.04 -0.80 -0.01 113.70 112.86 1pmp s SER 55 Ca 0.10 0.52 0.01 0.00 0.48 0.00 0.00 55.95 57.06 1pmp s SER 55 Cb -0.11 0.40 0.61 0.00 0.10 0.00 0.00 66.02 67.02 1pmp s SER 55 CO 0.01 -0.45 1.74 -0.65 0.98 0.00 0.00 173.24 174.86 1pmp h PRO 56 N 2.72 0.53 -0.19 4.02 0.11 -1.99 -2.00 132.00 135.21 1pmp h PRO 56 Ca -0.22 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.70 1pmp h PRO 56 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1pmp h PRO 56 CO 0.34 0.35 -0.53 0.74 -0.21 0.00 0.00 178.00 178.69 1pmp h PHE 57 N 0.55 0.67 -1.89 0.65 0.04 -1.98 -3.47 116.94 111.51 1pmp h PHE 57 Ca 0.50 -0.23 0.10 0.00 2.80 0.00 0.00 57.97 61.13 1pmp h PHE 57 Cb 0.81 -0.13 -0.19 0.00 2.20 0.00 0.00 35.95 38.63 1pmp h PHE 57 CO -0.11 0.95 0.52 0.21 -0.60 0.00 0.00 178.31 179.29 1pmp s LYS 58 N -4.02 0.70 0.18 1.51 2.20 -0.75 -5.17 119.74 114.39 1pmp s LYS 58 Ca -0.07 -0.06 0.11 0.00 -0.36 0.00 0.00 55.97 55.59 1pmp s LYS 58 Cb 0.11 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 1pmp s LYS 58 CO 0.84 -0.26 -0.23 -0.80 -0.36 0.00 0.00 175.35 174.53 1pmp s ASN 59 N -1.77 3.30 -0.19 1.43 0.01 -1.25 -1.90 114.94 114.57 1pmp s ASN 59 Ca 0.01 -0.85 -0.12 0.00 -0.71 0.00 0.00 52.86 51.19 1pmp s ASN 59 Cb -0.01 -0.24 0.06 0.00 0.41 0.00 0.00 41.25 41.48 1pmp s ASN 59 CO -0.03 0.10 0.48 -0.89 -1.51 0.00 0.00 177.10 175.25 1pmp s THR 60 N -1.66 -0.01 0.04 1.60 2.01 0.73 -4.98 115.64 113.37 1pmp s THR 60 Ca 0.19 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.29 1pmp s THR 60 Cb -0.08 -0.70 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 1pmp s THR 60 CO 0.09 0.02 -0.14 -0.70 -0.69 0.00 0.00 174.62 173.20 1pmp s GLU 61 N 1.19 0.95 -0.11 4.92 2.12 -1.26 -1.03 118.70 125.48 1pmp s GLU 61 Ca -0.08 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.43 1pmp s GLU 61 Cb -0.07 -0.96 0.04 0.00 0.26 0.00 0.00 34.13 33.40 1pmp s GLU 61 CO -0.11 0.24 0.28 0.96 -0.54 0.00 0.00 175.26 176.09 1pmp s ILE 62 N -0.83 -0.02 -0.16 -3.70 -4.36 -0.66 -4.96 121.20 106.51 1pmp s ILE 62 Ca 0.02 0.09 -0.00 0.00 -0.26 0.00 0.00 60.65 60.49 1pmp s ILE 62 Cb -0.08 -0.42 0.03 0.00 1.25 0.00 0.00 42.46 43.25 1pmp s ILE 62 CO 0.01 0.04 -0.09 -0.44 0.24 0.00 0.00 174.94 174.70 1pmp s SER 63 N 0.87 2.80 0.22 4.36 0.01 -1.20 -0.18 113.70 120.58 1pmp s SER 63 Ca -0.06 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1pmp s SER 63 Cb -0.07 -1.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.10 1pmp s SER 63 CO -0.06 -0.14 0.15 0.72 0.41 0.00 0.00 173.24 174.32 1pmp s PHE 64 N 1.57 1.27 -0.12 2.43 -0.71 0.22 -4.86 117.98 117.79 1pmp s PHE 64 Ca 0.02 -1.41 0.02 0.00 -1.04 0.00 0.00 56.93 54.51 1pmp s PHE 64 Cb -0.14 -0.61 0.02 0.00 -1.21 0.00 0.00 43.02 41.07 1pmp s PHE 64 CO -0.09 -0.66 -0.16 0.15 -1.34 0.00 0.00 175.22 173.13 1pmp s LYS 65 N -4.04 2.35 0.35 1.99 1.02 -1.26 0.27 119.74 120.41 1pmp s LYS 65 Ca 0.39 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 1pmp s LYS 65 Cb 0.06 -2.00 -0.12 0.00 -0.52 0.00 0.00 37.83 35.24 1pmp s LYS 65 CO 0.14 -0.08 1.04 1.28 -0.92 0.00 0.00 175.35 176.81 1pmp n LEU 66 N 4.28 2.32 0.00 3.17 4.77 -1.26 -2.77 117.00 127.51 1pmp n LEU 66 Ca -0.19 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 1pmp n LEU 66 Cb 0.51 -1.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1pmp n LEU 66 CO 0.24 -1.33 0.00 0.61 -1.33 0.00 0.00 177.39 175.58 1pmp n GLY 67 N 1.15 2.30 3.74 -0.72 0.00 0.74 -5.01 105.19 107.39 1pmp n GLY 67 Ca 0.09 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 1pmp n GLY 67 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pmp s GLN 68 N 0.00 2.33 0.16 1.61 -0.21 -1.11 -4.79 119.66 117.65 1pmp s GLN 68 Ca 0.00 1.64 -0.06 0.00 0.02 0.00 0.00 55.36 56.96 1pmp s GLN 68 Cb 0.00 -1.87 -0.06 0.00 1.00 0.00 0.00 33.01 32.08 1pmp s GLN 68 CO 0.00 -1.66 0.42 -2.00 -2.12 0.00 0.00 175.29 169.93 1pmp s GLU 69 N -3.97 3.68 0.11 2.91 2.12 -1.26 -4.34 118.70 117.94 1pmp s GLU 69 Ca 0.72 0.03 -0.07 0.00 0.36 0.00 0.00 54.97 56.00 1pmp s GLU 69 Cb -0.26 -2.80 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 1pmp s GLU 69 CO 0.44 0.43 0.18 -0.59 -0.54 0.00 0.00 175.26 175.18 1pmp s PHE 70 N -1.69 0.34 -0.27 5.30 -0.71 0.16 -5.00 117.98 116.10 1pmp s PHE 70 Ca 0.42 -0.76 -0.08 0.00 -1.04 0.00 0.00 56.93 55.48 1pmp s PHE 70 Cb -0.12 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.53 1pmp s PHE 70 CO 0.23 -0.57 0.10 -1.21 -1.34 0.00 0.00 175.22 172.43 1pmp s GLU 71 N -3.92 3.50 -0.05 1.99 2.02 -1.26 0.47 118.70 121.46 1pmp s GLU 71 Ca 0.11 -0.59 0.06 0.00 0.02 0.00 0.00 54.97 54.56 1pmp s GLU 71 Cb 0.05 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.86 1pmp s GLU 71 CO -0.06 -0.28 -0.21 -2.00 0.02 0.00 0.00 175.26 172.72 1pmp s GLU 72 N 1.60 2.46 -0.26 1.61 2.12 0.70 -4.97 118.70 121.96 1pmp s GLU 72 Ca 0.05 -0.84 -0.10 0.00 0.36 0.00 0.00 54.97 54.45 1pmp s GLU 72 Cb -0.16 -2.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.97 1pmp s GLU 72 CO 0.04 0.49 0.15 0.99 -0.54 0.00 0.00 175.26 176.39 1pmp s THR 73 N -0.42 5.00 1.13 -1.70 2.01 -1.26 -1.27 115.64 119.13 1pmp s THR 73 Ca 0.04 0.06 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 1pmp s THR 73 Cb -0.12 -3.36 0.26 0.00 0.01 0.00 0.00 72.50 69.29 1pmp s THR 73 CO 0.01 0.30 1.18 0.42 -0.69 0.00 0.00 174.62 175.84 1pmp s THR 74 N 1.58 1.72 -0.67 -0.82 -4.23 0.47 -4.92 115.64 108.77 1pmp s THR 74 Ca 0.07 0.00 0.25 0.00 -1.18 0.00 0.00 61.69 60.82 1pmp s THR 74 Cb -0.15 -2.66 0.26 0.00 1.34 0.00 0.00 72.50 71.28 1pmp s THR 74 CO 0.08 0.00 1.74 0.00 -0.54 0.00 0.00 174.62 175.90 1pmp n ALA 75 N -4.45 1.99 -1.15 3.99 0.00 -1.26 -2.85 120.51 116.79 1pmp n ALA 75 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 1pmp n ALA 75 Cb 0.59 -1.42 0.26 0.00 0.00 0.00 0.00 19.45 18.88 1pmp n ALA 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pmp n ASP 76 N -2.14 3.81 -0.30 0.00 5.75 -1.26 -4.94 116.55 117.46 1pmp n ASP 76 Ca 0.04 -3.32 -0.04 0.00 -0.01 0.00 0.00 54.79 51.46 1pmp n ASP 76 Cb 0.32 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1pmp n ASP 76 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1pmp n ASN 77 N -0.59 -4.85 -4.80 -1.12 5.15 -1.13 -5.00 115.26 102.92 1pmp n ASN 77 Ca 0.33 0.10 -0.35 0.00 -0.60 0.00 0.00 54.58 54.05 1pmp n ASN 77 Cb 1.13 -2.69 -0.06 0.00 -0.53 0.00 0.00 39.78 37.63 1pmp n ASN 77 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1pmp s ARG 78 N -1.83 4.35 -0.41 1.20 0.52 -1.26 -4.80 118.95 116.72 1pmp s ARG 78 Ca 0.00 1.29 -0.01 0.00 -0.52 0.00 0.00 55.73 56.48 1pmp s ARG 78 Cb 0.00 -2.50 0.11 0.00 0.52 0.00 0.00 34.95 33.08 1pmp s ARG 78 CO 0.00 0.07 0.19 0.15 0.02 0.00 0.00 175.30 175.72 1pmp s LYS 79 N -2.59 1.92 0.14 3.54 1.02 -1.26 -0.40 119.74 122.12 1pmp s LYS 79 Ca 0.56 -1.89 0.05 0.00 0.02 0.00 0.00 55.97 54.72 1pmp s LYS 79 Cb -0.16 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 1pmp s LYS 79 CO 0.20 -1.05 0.06 0.99 -0.92 0.00 0.00 175.35 174.63 1pmp s THR 80 N 0.99 4.15 -0.66 2.17 2.01 -0.39 -4.82 115.64 119.08 1pmp s THR 80 Ca 0.10 -1.13 -0.04 0.00 0.31 0.00 0.00 61.69 60.92 1pmp s THR 80 Cb -0.22 -3.06 0.17 0.00 0.01 0.00 0.00 72.50 69.40 1pmp s THR 80 CO -0.05 -0.03 0.49 -0.54 -0.69 0.00 0.00 174.62 173.80 1pmp s LYS 81 N -2.79 2.72 0.17 4.92 1.02 -0.86 -0.21 119.74 124.70 1pmp s LYS 81 Ca 0.28 -2.55 0.03 0.00 0.02 0.00 0.00 55.97 53.75 1pmp s LYS 81 Cb -0.10 -3.83 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 1pmp s LYS 81 CO 0.21 -1.19 0.30 -1.12 -0.92 0.00 0.00 175.35 172.63 1pmp s SER 82 N 0.83 6.34 -0.00 2.83 0.01 0.18 -3.03 113.70 120.85 1pmp s SER 82 Ca 0.17 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.61 1pmp s SER 82 Cb -0.19 -1.91 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 1pmp s SER 82 CO -0.04 0.02 -0.02 -0.89 0.41 0.00 0.00 173.24 172.72 1pmp s THR 83 N -1.79 0.20 -0.09 1.44 2.01 -1.02 0.35 115.64 116.74 1pmp s THR 83 Ca 0.35 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1pmp s THR 83 Cb -0.11 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.24 1pmp s THR 83 CO 0.29 0.06 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.47 1pmp s VAL 84 N -0.00 1.22 0.16 3.82 1.01 -1.26 -1.87 120.40 123.47 1pmp s VAL 84 Ca 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1pmp s VAL 84 Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1pmp s VAL 84 CO -0.00 0.38 -0.20 -0.89 0.00 0.00 0.00 175.10 174.39 1pmp s THR 85 N 1.04 1.94 -0.28 3.92 2.01 -0.52 -0.19 115.64 123.56 1pmp s THR 85 Ca -0.07 -1.88 0.01 0.00 0.31 0.00 0.00 61.69 60.06 1pmp s THR 85 Cb -0.15 -1.86 0.06 0.00 0.01 0.00 0.00 72.50 70.55 1pmp s THR 85 CO -0.01 -0.22 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.42 1pmp s LEU 86 N -2.53 3.65 -0.21 4.42 2.96 -1.26 -0.42 118.68 125.30 1pmp s LEU 86 Ca 0.15 -1.34 -0.01 0.00 -0.22 0.00 0.00 54.13 52.71 1pmp s LEU 86 Cb -0.07 -1.62 0.06 0.00 0.50 0.00 0.00 46.19 45.05 1pmp s LEU 86 CO 0.07 -0.22 -0.00 0.00 -1.32 0.00 0.00 176.35 174.87 1pmp s ALA 87 N 1.17 1.42 -0.86 5.97 0.00 -0.33 -4.91 121.76 124.22 1pmp s ALA 87 Ca -0.07 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1pmp s ALA 87 Cb -0.20 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1pmp s ALA 87 CO -0.03 -1.18 0.63 0.54 0.00 0.00 0.00 175.76 175.72 1pmp n ARG 88 N 4.88 -1.39 -0.02 0.00 1.74 -1.26 -2.28 116.66 118.33 1pmp n ARG 88 Ca -0.10 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.77 1pmp n ARG 88 Cb 0.46 -2.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 1pmp n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pmp n GLY 89 N -1.71 1.80 3.52 -0.13 0.00 -1.26 -5.00 105.19 102.41 1pmp n GLY 89 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1pmp n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pmp s SER 90 N -3.20 4.14 -0.89 1.61 1.04 -0.97 -4.45 113.70 110.97 1pmp s SER 90 Ca 0.00 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.89 1pmp s SER 90 Cb 0.00 -0.77 0.15 0.00 0.10 0.00 0.00 66.02 65.50 1pmp s SER 90 CO 0.00 0.24 1.03 -0.76 0.98 0.00 0.00 173.24 174.73 1pmp s LEU 91 N -1.68 5.44 0.08 2.42 1.43 0.46 -1.19 118.68 125.64 1pmp s LEU 91 Ca 0.17 -2.16 -0.24 0.00 -1.03 0.00 0.00 54.13 50.87 1pmp s LEU 91 Cb -0.11 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 1pmp s LEU 91 CO 0.08 -0.96 0.73 0.20 0.23 0.00 0.00 176.35 176.63 1pmp s ASN 92 N 3.30 7.23 -0.02 2.29 -0.87 0.44 -2.02 114.94 125.28 1pmp s ASN 92 Ca 0.29 1.46 0.07 0.00 -1.57 0.00 0.00 52.86 53.10 1pmp s ASN 92 Cb -0.07 -2.46 -0.02 0.00 -0.02 0.00 0.00 41.25 38.69 1pmp s ASN 92 CO -0.09 0.11 -0.22 -1.58 -2.57 0.00 0.00 177.10 172.76 1pmp s GLN 93 N -0.52 1.80 -0.11 -0.60 0.74 0.25 -1.43 119.66 119.78 1pmp s GLN 93 Ca 0.36 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 55.02 1pmp s GLN 93 Cb -0.21 -1.72 0.01 0.00 1.10 0.00 0.00 33.01 32.20 1pmp s GLN 93 CO 0.23 0.45 -0.17 0.08 -0.55 0.00 0.00 175.29 175.33 1pmp s VAL 94 N -0.47 1.62 -0.18 1.34 1.01 -0.78 -0.69 120.40 122.24 1pmp s VAL 94 Ca 0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1pmp s VAL 94 Cb -0.09 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1pmp s VAL 94 CO -0.00 0.46 -0.15 -1.10 0.00 0.00 0.00 175.10 174.31 1pmp s GLN 95 N 0.80 3.15 -0.06 2.72 -0.21 -0.42 -2.42 119.66 123.23 1pmp s GLN 95 Ca -0.10 -0.76 0.06 0.00 0.02 0.00 0.00 55.36 54.59 1pmp s GLN 95 Cb -0.16 -2.70 -0.01 0.00 1.00 0.00 0.00 33.01 31.14 1pmp s GLN 95 CO 0.01 -0.15 -0.25 0.15 -2.12 0.00 0.00 175.29 172.93 1pmp s LYS 96 N 1.23 2.55 -0.20 2.91 1.02 -1.17 -0.95 119.74 125.14 1pmp s LYS 96 Ca 0.03 -0.91 -0.17 0.00 0.02 0.00 0.00 55.97 54.94 1pmp s LYS 96 Cb -0.14 -2.16 0.05 0.00 -0.52 0.00 0.00 37.83 35.06 1pmp s LYS 96 CO -0.07 0.38 0.52 1.67 -0.92 0.00 0.00 175.35 176.93 1pmp s TRP 97 N -0.16 -0.61 0.00 3.18 -2.14 -0.24 -2.03 118.94 116.93 1pmp s TRP 97 Ca -0.04 1.44 0.00 0.00 2.66 0.00 0.00 56.10 60.17 1pmp s TRP 97 Cb -0.14 0.24 0.00 0.00 -3.10 0.00 0.00 33.47 30.47 1pmp s TRP 97 CO 0.04 -0.30 0.00 0.09 -2.66 0.00 0.00 176.95 174.11 1pmp n ASN 98 N 3.09 0.00 -0.04 -2.66 3.02 -1.26 0.13 115.26 117.53 1pmp n ASN 98 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1pmp n ASN 98 Cb 0.56 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.74 1pmp n ASN 98 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pmp n GLY 99 N 0.00 2.15 3.91 7.41 0.00 -1.26 -5.03 105.19 112.38 1pmp n GLY 99 Ca 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 1pmp n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pmp s ASN 100 N -0.82 6.27 -0.28 1.61 0.02 0.35 -5.11 114.94 116.98 1pmp s ASN 100 Ca 0.01 0.81 -0.20 0.00 -1.02 0.00 0.00 52.86 52.47 1pmp s ASN 100 Cb 0.01 -2.20 0.11 0.00 0.02 0.00 0.00 41.25 39.19 1pmp s ASN 100 CO 0.01 -0.51 0.88 -1.83 0.02 0.00 0.00 177.10 175.67 1pmp s GLU 101 N -4.63 0.57 0.23 -0.60 -1.05 -1.26 -1.08 118.70 110.87 1pmp s GLU 101 Ca 0.46 0.84 0.10 0.00 -0.15 0.00 0.00 54.97 56.21 1pmp s GLU 101 Cb -0.10 0.19 -0.05 0.00 -0.44 0.00 0.00 34.13 33.73 1pmp s GLU 101 CO 0.43 -0.10 -0.18 -0.08 0.95 0.00 0.00 175.26 176.28 1pmp s THR 102 N 0.97 2.10 -0.01 1.83 -1.32 -0.12 -4.63 115.64 114.46 1pmp s THR 102 Ca -0.05 -2.22 0.03 0.00 -1.21 0.00 0.00 61.69 58.24 1pmp s THR 102 Cb -0.05 -2.12 -0.01 0.00 -1.51 0.00 0.00 72.50 68.82 1pmp s THR 102 CO -0.11 -0.43 -0.10 -0.89 -2.21 0.00 0.00 174.62 170.88 1pmp s THR 103 N -2.51 0.75 -0.17 5.08 2.01 -0.30 -1.30 115.64 119.21 1pmp s THR 103 Ca 0.24 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1pmp s THR 103 Cb -0.04 -0.63 0.03 0.00 0.01 0.00 0.00 72.50 71.87 1pmp s THR 103 CO 0.10 0.20 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.48 1pmp s ILE 104 N -0.26 1.57 -0.10 1.82 1.01 0.13 -1.75 121.20 123.63 1pmp s ILE 104 Ca 0.03 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1pmp s ILE 104 Cb -0.04 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1pmp s ILE 104 CO -0.00 0.33 -0.15 -0.54 0.00 0.00 0.00 174.94 174.58 1pmp s LYS 105 N 1.46 3.04 -0.26 2.79 1.02 -0.58 0.84 119.74 128.04 1pmp s LYS 105 Ca 0.02 -0.71 0.02 0.00 0.02 0.00 0.00 55.97 55.32 1pmp s LYS 105 Cb -0.14 -2.50 0.07 0.00 -0.52 0.00 0.00 37.83 34.73 1pmp s LYS 105 CO -0.10 0.35 -0.06 1.03 -0.92 0.00 0.00 175.35 175.66 1pmp s ARG 106 N -0.02 1.84 0.23 1.68 0.52 -0.86 -1.05 118.95 121.30 1pmp s ARG 106 Ca -0.04 -1.29 0.10 0.00 -0.52 0.00 0.00 55.73 53.98 1pmp s ARG 106 Cb -0.14 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.49 1pmp s ARG 106 CO 0.04 -0.65 -0.10 -1.59 0.02 0.00 0.00 175.30 173.02 1pmp s LYS 107 N 1.20 2.00 -0.15 3.54 -2.85 -0.83 -0.40 119.74 122.25 1pmp s LYS 107 Ca -0.04 -1.46 -0.06 0.00 -1.00 0.00 0.00 55.97 53.41 1pmp s LYS 107 Cb -0.19 -2.04 -0.04 0.00 -2.06 0.00 0.00 37.83 33.50 1pmp s LYS 107 CO -0.07 0.38 0.07 -0.51 0.10 0.00 0.00 175.35 175.32 1pmp s LEU 108 N -3.25 3.89 -0.12 2.77 1.43 -1.26 -1.29 118.68 120.84 1pmp s LEU 108 Ca 0.28 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1pmp s LEU 108 Cb -0.07 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.25 1pmp s LEU 108 CO 0.16 0.26 0.17 -0.69 0.23 0.00 0.00 176.35 176.48 1pmp s VAL 109 N -0.15 -0.26 -1.41 -1.59 1.01 0.14 -4.91 120.40 113.23 1pmp s VAL 109 Ca 0.07 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1pmp s VAL 109 Cb -0.12 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1pmp s VAL 109 CO 0.01 0.02 0.51 0.47 0.00 0.00 0.00 175.10 176.11 1pmp n ASP 110 N 5.32 -0.78 -1.75 3.32 8.00 -1.26 -0.28 116.55 129.12 1pmp n ASP 110 Ca -0.05 -0.97 -0.17 0.00 0.71 0.00 0.00 54.79 54.31 1pmp n ASP 110 Cb 0.50 -3.24 -0.03 0.00 -0.02 0.00 0.00 41.12 38.33 1pmp n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pmp n GLY 111 N -1.87 0.24 3.23 0.44 0.00 -1.26 -4.99 105.19 100.99 1pmp n GLY 111 Ca -0.27 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 1pmp n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pmp s LYS 112 N -4.44 0.98 -0.23 1.61 1.02 0.61 -4.45 119.74 114.84 1pmp s LYS 112 Ca 0.00 -1.08 -0.08 0.00 0.02 0.00 0.00 55.97 54.83 1pmp s LYS 112 Cb 0.00 -1.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 1pmp s LYS 112 CO 0.00 0.25 0.09 1.41 -0.92 0.00 0.00 175.35 176.18 1pmp s MET 113 N -1.91 3.83 -0.38 1.68 -2.45 -0.17 0.28 119.30 120.17 1pmp s MET 113 Ca 0.03 -0.40 -0.08 0.00 -1.25 0.00 0.00 55.69 53.99 1pmp s MET 113 Cb -0.09 -3.36 0.06 0.00 1.25 0.00 0.00 34.83 32.69 1pmp s MET 113 CO 0.03 -0.03 0.19 0.08 1.05 0.00 0.00 175.02 176.35 1pmp s VAL 114 N 1.23 4.06 -0.30 10.11 1.01 -0.42 -0.34 120.40 135.75 1pmp s VAL 114 Ca 0.05 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.65 1pmp s VAL 114 Cb -0.14 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1pmp s VAL 114 CO 0.04 -0.37 0.18 -0.69 0.00 0.00 0.00 175.10 174.27 1pmp s VAL 115 N 1.42 5.04 -0.21 2.92 1.01 -0.43 -1.96 120.40 128.18 1pmp s VAL 115 Ca 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1pmp s VAL 115 Cb -0.21 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1pmp s VAL 115 CO 0.03 0.14 -0.04 -0.70 0.00 0.00 0.00 175.10 174.52 1pmp s GLU 116 N 1.70 3.42 -0.26 2.72 2.12 -0.21 -1.17 118.70 127.02 1pmp s GLU 116 Ca 0.06 -0.61 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 1pmp s GLU 116 Cb -0.17 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.25 1pmp s GLU 116 CO 0.09 -0.13 -0.02 0.00 -0.54 0.00 0.00 175.26 174.66 1pmp s LYS 118 N 1.37 2.93 -0.39 0.00 2.20 -0.72 0.72 119.74 125.84 1pmp s LYS 118 Ca 0.00 -0.86 0.04 0.00 -0.36 0.00 0.00 55.97 54.79 1pmp s LYS 118 Cb -0.17 -2.30 0.16 0.00 -1.51 0.00 0.00 37.83 34.02 1pmp s LYS 118 CO -0.02 0.25 0.40 1.41 -0.36 0.00 0.00 175.35 177.03 1pmp s MET 119 N 0.17 0.74 0.00 4.03 -2.45 -0.42 -1.15 119.30 120.23 1pmp s MET 119 Ca -0.13 -1.14 0.00 0.00 -1.25 0.00 0.00 55.69 53.16 1pmp s MET 119 Cb -0.16 -0.80 0.00 0.00 1.25 0.00 0.00 34.83 35.11 1pmp s MET 119 CO 0.07 -1.25 0.00 1.17 1.05 0.00 0.00 175.02 176.06 1pmp n LYS 120 N 3.82 -0.28 -0.81 4.11 4.81 -1.26 -3.36 118.16 125.19 1pmp n LYS 120 Ca 0.16 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1pmp n LYS 120 Cb 0.46 -0.84 0.00 0.00 0.02 0.00 0.00 35.03 34.67 1pmp n LYS 120 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1pmp n ASP 121 N 1.38 -2.28 -3.77 3.14 2.03 -1.26 -5.03 116.55 110.77 1pmp n ASP 121 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 1pmp n ASP 121 Cb 0.41 -0.38 -0.12 0.00 -0.72 0.00 0.00 41.12 40.31 1pmp n ASP 121 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1pmp s VAL 122 N -2.10 -0.01 -0.04 5.18 1.01 -1.21 -5.14 120.40 118.09 1pmp s VAL 122 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1pmp s VAL 122 Cb 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1pmp s VAL 122 CO 0.00 0.01 -0.18 -0.69 0.00 0.00 0.00 175.10 174.24 1pmp s VAL 123 N 0.34 1.46 -0.04 2.92 1.01 -1.25 -1.30 120.40 123.55 1pmp s VAL 123 Ca -0.02 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1pmp s VAL 123 Cb -0.03 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1pmp s VAL 123 CO -0.01 0.42 -0.17 0.00 0.00 0.00 0.00 175.10 175.33 1pmp s THR 125 N -0.06 1.29 -0.14 0.00 2.01 -0.67 0.67 115.64 118.75 1pmp s THR 125 Ca -0.02 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.05 1pmp s THR 125 Cb -0.11 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.86 1pmp s THR 125 CO 0.02 -0.03 -0.20 -0.13 -0.69 0.00 0.00 174.62 173.59 1pmp s ARG 126 N 1.52 3.10 -0.11 4.92 0.52 -0.31 -0.44 118.95 128.14 1pmp s ARG 126 Ca -0.03 -0.82 -0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1pmp s ARG 126 Cb -0.17 -2.48 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 1pmp s ARG 126 CO -0.07 0.03 0.06 0.42 0.02 0.00 0.00 175.30 175.76 1pmp s ILE 127 N 0.73 4.79 0.16 1.52 1.01 0.25 -1.32 121.20 128.34 1pmp s ILE 127 Ca -0.08 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.58 1pmp s ILE 127 Cb -0.16 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1pmp s ILE 127 CO 0.01 0.59 -0.17 -0.31 0.00 0.00 0.00 174.94 175.05 1pmp s TYR 128 N -0.72 1.72 0.17 3.97 1.51 0.53 -0.25 117.35 124.29 1pmp s TYR 128 Ca 0.12 -0.50 0.09 0.00 -1.01 0.00 0.00 57.07 55.77 1pmp s TYR 128 Cb -0.12 -0.86 -0.04 0.00 -0.11 0.00 0.00 41.96 40.83 1pmp s TYR 128 CO 0.03 0.29 -0.14 -1.21 -1.11 0.00 0.00 175.55 173.41 1pmp s GLU 129 N -2.88 1.91 0.07 -0.62 2.02 0.00 -1.00 118.70 118.21 1pmp s GLU 129 Ca 0.15 -1.31 -0.26 0.00 0.02 0.00 0.00 54.97 53.57 1pmp s GLU 129 Cb -0.05 -2.09 -0.06 0.00 0.10 0.00 0.00 34.13 32.04 1pmp s GLU 129 CO 0.06 0.43 0.80 0.21 0.02 0.00 0.00 175.26 176.78 1pmp s LYS 130 N -2.71 4.54 0.00 1.61 2.20 -1.26 0.11 119.74 124.22 1pmp s LYS 130 Ca 0.23 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.98 1pmp s LYS 130 Cb -0.09 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1pmp s LYS 130 CO 0.13 0.30 0.00 0.28 -0.36 0.00 0.00 175.35 175.70