#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 -0.08 6.43 3.02 -1.26 -4.73 115.26 119.46 1pmp n ASN 2 Ca 0.00 0.20 0.11 0.00 -0.03 0.00 0.00 54.58 54.86 1pmp n ASN 2 Cb 0.00 -0.18 0.17 0.00 -0.61 0.00 0.00 39.78 39.15 1pmp n ASN 2 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1pmp n LYS 3 N -3.46 0.01 0.13 3.52 0.00 -1.26 0.50 118.16 117.59 1pmp n LYS 3 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 58.31 58.72 1pmp n LYS 3 Cb 0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 35.03 34.05 1pmp n LYS 3 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1pmp h PHE 4 N 0.00 0.00 -2.75 5.64 0.04 -1.98 -3.46 116.94 114.43 1pmp h PHE 4 Ca 0.19 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 60.44 1pmp h PHE 4 Cb 1.16 0.00 0.05 0.00 2.20 0.00 0.00 35.95 39.36 1pmp h PHE 4 CO 0.00 0.59 0.94 -0.51 -0.60 0.00 0.00 178.31 178.74 1pmp s LEU 5 N -6.51 4.37 0.00 1.54 1.43 1.90 -4.53 118.68 116.88 1pmp s LEU 5 Ca 0.03 2.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 1pmp s LEU 5 Cb 0.08 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1pmp s LEU 5 CO 0.76 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1pmp n GLY 6 N 3.86 0.96 3.28 -3.19 0.00 0.26 -4.94 105.19 105.42 1pmp n GLY 6 Ca 0.15 -1.91 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.51 3.09 0.09 2.61 2.01 -1.26 0.77 115.64 120.44 1pmp s THR 7 Ca 0.00 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.50 1pmp s THR 7 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1pmp s THR 7 CO 0.00 0.46 -0.24 0.26 -0.69 0.00 0.00 174.62 174.40 1pmp s TRP 8 N 1.31 2.38 -0.01 4.92 0.52 0.14 0.47 118.94 128.67 1pmp s TRP 8 Ca 0.04 -0.35 0.08 0.00 0.02 0.00 0.00 56.10 55.88 1pmp s TRP 8 Cb -0.14 -1.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 1pmp s TRP 8 CO -0.04 0.27 -0.25 -1.59 0.02 0.00 0.00 176.95 175.36 1pmp s LYS 9 N -1.76 2.01 0.24 4.98 -2.85 0.25 -0.88 119.74 121.74 1pmp s LYS 9 Ca 0.14 -0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 53.87 1pmp s LYS 9 Cb -0.10 -1.98 -0.10 0.00 -2.06 0.00 0.00 37.83 33.59 1pmp s LYS 9 CO 0.05 0.54 1.44 -1.17 0.10 0.00 0.00 175.35 176.31 1pmp s LEU 10 N -0.70 4.39 0.00 2.77 2.96 -0.95 -0.91 118.68 126.24 1pmp s LEU 10 Ca 0.10 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.66 1pmp s LEU 10 Cb -0.10 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1pmp s LEU 10 CO -0.00 -0.70 0.00 0.52 -1.32 0.00 0.00 176.35 174.84 1pmp n VAL 11 N 2.44 0.00 -4.12 1.68 0.31 -0.06 -4.90 118.33 113.68 1pmp n VAL 11 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.23 1pmp n VAL 11 Cb 0.40 -1.05 -0.15 0.00 -0.91 0.00 0.00 33.84 32.13 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 -4.63 0.65 0.04 4.52 0.15 -1.04 -4.98 113.70 108.41 1pmp s SER 12 Ca 0.00 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.60 1pmp s SER 12 Cb 0.00 -0.20 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1pmp s SER 12 CO 0.00 0.00 -0.12 -0.55 1.20 0.00 0.00 173.24 173.77 1pmp s SER 13 N 0.36 1.45 -0.19 5.45 0.15 -1.26 0.12 113.70 119.78 1pmp s SER 13 Ca -0.04 -0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.04 1pmp s SER 13 Cb -0.08 -0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.21 1pmp s SER 13 CO -0.00 0.00 0.48 -0.70 1.20 0.00 0.00 173.24 174.22 1pmp s GLU 14 N -1.10 0.52 -1.74 5.44 2.12 -0.37 -4.91 118.70 118.65 1pmp s GLU 14 Ca -0.00 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1pmp s GLU 14 Cb -0.08 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.46 1pmp s GLU 14 CO 0.01 -0.11 0.00 0.09 -0.54 0.00 0.00 175.26 174.71 1pmp n ASN 15 N 3.53 -5.18 -0.20 -1.70 4.13 -1.26 -1.15 115.26 113.42 1pmp n ASN 15 Ca -0.18 0.21 -0.09 0.00 1.68 0.00 0.00 54.58 56.20 1pmp n ASN 15 Cb 0.56 -4.44 0.02 0.00 -1.54 0.00 0.00 39.78 34.38 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 0.00 1.10 -0.69 3.10 3.57 -1.91 -2.49 116.94 119.63 1pmp h PHE 16 Ca -0.42 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 60.93 1pmp h PHE 16 Cb 1.28 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1pmp h PHE 16 CO 0.57 0.98 0.45 0.22 -2.23 0.00 0.00 178.31 178.30 1pmp h ASP 17 N 0.91 0.73 1.68 0.41 3.58 -1.97 -1.39 116.42 120.37 1pmp h ASP 17 Ca 0.17 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 1pmp h ASP 17 Cb 0.52 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 1pmp h ASP 17 CO 0.03 0.51 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.25 1pmp h GLU 18 N 0.86 0.00 0.22 0.28 3.07 -1.95 -0.64 114.58 116.42 1pmp h GLU 18 Ca 0.27 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1pmp h GLU 18 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1pmp h GLU 18 CO -0.07 0.32 -0.11 -0.92 -1.40 0.00 0.00 179.01 176.83 1pmp h TYR 19 N 0.00 -0.28 0.28 4.33 3.20 -0.82 -0.72 116.97 122.97 1pmp h TYR 19 Ca -0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1pmp h TYR 19 Cb 1.24 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 39.57 1pmp h TYR 19 CO 0.00 0.10 -0.35 0.52 -1.64 0.00 0.00 178.16 176.79 1pmp h MET 20 N -0.74 -0.66 -0.79 1.82 2.86 -1.39 -1.69 114.93 114.34 1pmp h MET 20 Ca -0.03 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 1pmp h MET 20 Cb 0.50 0.15 -0.14 0.00 0.06 0.00 0.00 31.60 32.16 1pmp h MET 20 CO 0.05 -0.44 -0.28 -0.22 1.06 0.00 0.00 176.91 177.08 1pmp h LYS 21 N -0.69 -0.05 0.00 1.72 3.64 -1.12 0.38 116.57 120.46 1pmp h LYS 21 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pmp h LYS 21 Cb 0.64 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1pmp h LYS 21 CO -0.11 -0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.04 1pmp h ALA 22 N 1.48 1.00 0.00 5.00 0.00 -0.48 -2.06 119.26 124.20 1pmp h ALA 22 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1pmp h ALA 22 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1pmp h ALA 22 CO -0.83 0.00 -0.86 1.28 0.00 0.00 0.00 179.25 178.85 1pmp n LEU 23 N -2.81 0.68 0.00 0.00 4.77 0.13 -4.95 117.00 114.82 1pmp n LEU 23 Ca -0.01 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1pmp n LEU 23 Cb 0.16 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1pmp n LEU 23 CO 0.20 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1pmp n GLY 24 N 1.32 0.90 3.76 -0.72 0.00 -0.78 -5.08 105.19 104.59 1pmp n GLY 24 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 2.42 0.26 1.61 1.01 -0.99 -4.99 120.40 117.72 1pmp s VAL 25 Ca 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1pmp s VAL 25 Cb 0.00 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.08 1pmp s VAL 25 CO 0.00 0.07 0.53 -0.83 0.00 0.00 0.00 175.10 174.87 1pmp s GLY 26 N 0.19 2.01 0.14 4.51 0.00 -1.26 -4.43 107.32 108.47 1pmp s GLY 26 Ca 0.58 -0.48 -0.01 0.00 0.00 0.00 0.00 44.72 44.80 1pmp s GLY 26 CO 0.49 -0.37 0.72 1.04 0.00 0.00 0.00 173.10 174.98 1pmp n LEU 27 N -0.62 -0.11 0.06 0.66 4.77 -1.26 -1.53 117.00 118.97 1pmp n LEU 27 Ca -0.01 0.79 -0.07 0.00 -0.03 0.00 0.00 56.01 56.69 1pmp n LEU 27 Cb 0.53 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1pmp n LEU 27 CO 0.47 -0.78 0.51 0.00 -1.33 0.00 0.00 177.39 176.26 1pmp h ALA 28 N 0.92 -0.76 -0.10 -1.18 0.00 -2.01 -0.17 119.26 115.96 1pmp h ALA 28 Ca 0.25 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1pmp h ALA 28 Cb 0.47 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pmp h ALA 28 CO -0.45 -0.81 0.09 1.15 0.00 0.00 0.00 179.25 179.23 1pmp h THR 29 N -0.32 0.71 -0.13 0.00 2.02 -1.68 -2.34 112.91 111.18 1pmp h THR 29 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 1pmp h THR 29 Cb 0.31 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1pmp h THR 29 CO -0.10 0.00 -0.30 0.03 0.37 0.00 0.00 175.52 175.51 1pmp h ARG 30 N 0.00 0.44 -0.61 6.66 3.08 -1.06 0.43 114.38 123.33 1pmp h ARG 30 Ca 0.05 -0.30 0.08 0.00 0.07 0.00 0.00 59.98 59.88 1pmp h ARG 30 Cb 0.23 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1pmp h ARG 30 CO -0.00 0.91 0.27 1.57 -1.07 0.00 0.00 179.97 181.65 1pmp h LYS 31 N 0.04 0.48 -0.26 0.04 2.10 -0.47 0.23 116.57 118.73 1pmp h LYS 31 Ca 0.00 -0.03 -0.19 0.00 -2.00 0.00 0.00 60.65 58.43 1pmp h LYS 31 Cb 0.91 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1pmp h LYS 31 CO 0.07 0.32 -0.57 -0.07 -2.00 0.00 0.00 179.45 177.19 1pmp h LEU 32 N 0.50 0.95 -0.69 7.07 3.38 -1.52 -2.95 115.31 122.05 1pmp h LEU 32 Ca 0.29 -0.55 0.14 0.00 0.09 0.00 0.00 57.88 57.85 1pmp h LEU 32 Cb 0.30 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 40.67 1pmp h LEU 32 CO -0.25 1.33 0.17 1.23 0.09 0.00 0.00 178.44 181.01 1pmp h GLY 33 N 0.62 0.94 1.52 0.83 0.00 0.12 -2.41 103.07 104.68 1pmp h GLY 33 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 47.33 47.12 1pmp h GLY 33 CO 0.13 -0.16 -0.67 3.43 0.00 0.00 0.00 176.54 179.27 1pmp h ASN 34 N 0.28 0.56 -0.11 0.19 2.35 -0.57 -3.30 115.58 114.98 1pmp h ASN 34 Ca 0.38 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1pmp h ASN 34 Cb 0.62 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1pmp h ASN 34 CO -0.47 1.07 0.00 0.18 -1.65 0.00 0.00 177.43 176.56 1pmp n LEU 35 N -3.89 1.47 -4.55 1.61 4.77 -0.91 -4.91 117.00 110.59 1pmp n LEU 35 Ca -0.04 -0.74 -0.31 0.00 -0.03 0.00 0.00 56.01 54.89 1pmp n LEU 35 Cb 0.67 -0.39 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1pmp n LEU 35 CO 0.48 0.27 -0.43 0.00 -1.33 0.00 0.00 177.39 176.38 1pmp s ALA 36 N -1.47 2.87 -0.66 -1.18 0.00 -1.22 -5.04 121.76 115.06 1pmp s ALA 36 Ca 0.09 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.97 1pmp s ALA 36 Cb 0.06 -0.94 0.19 0.00 0.00 0.00 0.00 23.12 22.43 1pmp s ALA 36 CO 0.04 0.61 0.55 1.63 0.00 0.00 0.00 175.76 178.59 1pmp n LYS 37 N 1.30 1.87 -1.15 0.00 5.02 -1.26 -5.06 118.16 118.87 1pmp n LYS 37 Ca -0.15 -4.41 -0.32 0.00 -2.02 0.00 0.00 58.31 51.41 1pmp n LYS 37 Cb 0.52 -2.21 0.11 0.00 -0.02 0.00 0.00 35.03 33.43 1pmp n LYS 37 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1pmp s PRO 38 N -1.61 1.90 -0.06 1.97 0.02 -1.26 -4.75 135.00 131.20 1pmp s PRO 38 Ca 0.29 1.40 0.05 0.00 0.02 0.00 0.00 61.00 62.76 1pmp s PRO 38 Cb 0.02 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.69 1pmp s PRO 38 CO -0.13 -1.95 -0.23 1.03 -0.33 0.00 0.00 177.00 175.39 1pmp s ARG 39 N -4.60 2.63 -0.07 5.54 0.52 -0.07 -2.23 118.95 120.67 1pmp s ARG 39 Ca 0.65 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 55.04 1pmp s ARG 39 Cb -0.21 -2.22 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 1pmp s ARG 39 CO 0.54 0.38 -0.23 0.08 0.02 0.00 0.00 175.30 176.08 1pmp s VAL 40 N -0.15 2.19 -0.31 3.52 1.01 -0.06 0.06 120.40 126.66 1pmp s VAL 40 Ca -0.04 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1pmp s VAL 40 Cb -0.14 -1.82 0.09 0.00 0.00 0.00 0.00 36.38 34.52 1pmp s VAL 40 CO 0.04 0.57 0.05 -0.63 0.00 0.00 0.00 175.10 175.13 1pmp s ILE 41 N -0.04 1.65 -0.15 2.22 1.01 -0.53 0.25 121.20 125.61 1pmp s ILE 41 Ca -0.07 -1.83 -0.17 0.00 0.00 0.00 0.00 60.65 58.58 1pmp s ILE 41 Cb -0.15 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1pmp s ILE 41 CO 0.05 -0.55 0.46 -0.63 0.00 0.00 0.00 174.94 174.26 1pmp s ILE 42 N 1.24 5.18 0.02 2.92 1.01 0.23 -2.58 121.20 129.23 1pmp s ILE 42 Ca 0.08 0.87 -0.08 0.00 0.00 0.00 0.00 60.65 61.52 1pmp s ILE 42 Cb -0.18 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1pmp s ILE 42 CO -0.14 0.29 0.17 -0.94 0.00 0.00 0.00 174.94 174.31 1pmp s SER 43 N 0.79 0.04 -0.04 3.58 1.04 -0.46 0.92 113.70 119.57 1pmp s SER 43 Ca 0.23 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.39 1pmp s SER 43 Cb -0.15 0.25 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1pmp s SER 43 CO 0.09 -0.47 -0.12 -0.75 0.98 0.00 0.00 173.24 172.97 1pmp s LYS 44 N -2.06 1.41 -0.21 4.02 2.20 -1.26 -0.92 119.74 122.92 1pmp s LYS 44 Ca -0.09 -0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1pmp s LYS 44 Cb -0.04 -1.23 0.06 0.00 -1.51 0.00 0.00 37.83 35.12 1pmp s LYS 44 CO -0.01 0.11 0.03 0.21 -0.36 0.00 0.00 175.35 175.33 1pmp s LYS 45 N 0.33 0.77 7.92 4.03 2.20 -0.70 -5.02 119.74 129.27 1pmp s LYS 45 Ca -0.07 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 54.99 1pmp s LYS 45 Cb -0.12 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 1pmp s LYS 45 CO 0.02 -0.67 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1pmp n GLY 46 N 4.99 2.94 0.24 5.54 0.00 -1.26 -2.13 105.19 115.51 1pmp n GLY 46 Ca -0.09 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.71 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 9.06 2.01 -4.68 1.61 5.68 -1.26 -4.97 116.55 124.00 1pmp n ASP 47 Ca 0.00 -1.69 -0.36 0.00 -0.50 0.00 0.00 54.79 52.25 1pmp n ASP 47 Cb 0.00 -0.06 -0.09 0.00 -1.14 0.00 0.00 41.12 39.83 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 -0.77 5.31 0.03 2.12 1.01 -0.90 -4.32 121.20 123.67 1pmp s ILE 48 Ca 0.08 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.90 1pmp s ILE 48 Cb 0.05 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1pmp s ILE 48 CO 0.06 0.40 0.07 -0.63 0.00 0.00 0.00 174.94 174.85 1pmp s ILE 49 N 0.69 4.60 -0.05 2.92 1.01 0.36 -1.72 121.20 129.01 1pmp s ILE 49 Ca 0.07 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.19 1pmp s ILE 49 Cb -0.12 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1pmp s ILE 49 CO 0.01 0.27 -0.11 -0.89 0.00 0.00 0.00 174.94 174.23 1pmp s THR 50 N -1.25 0.99 -0.17 2.92 2.01 -0.10 -1.47 115.64 118.58 1pmp s THR 50 Ca 0.25 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1pmp s THR 50 Cb -0.12 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.52 1pmp s THR 50 CO 0.16 0.31 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.65 1pmp s ILE 51 N 0.45 1.60 -0.21 1.82 1.01 -0.91 -1.35 121.20 123.62 1pmp s ILE 51 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1pmp s ILE 51 Cb -0.13 -1.58 0.05 0.00 0.01 0.00 0.00 42.46 40.81 1pmp s ILE 51 CO 0.02 0.34 -0.05 -0.60 0.00 0.00 0.00 174.94 174.64 1pmp s ARG 52 N 1.45 1.56 -0.26 2.79 3.52 -1.06 -2.05 118.95 124.89 1pmp s ARG 52 Ca 0.02 -0.79 -0.17 0.00 -0.13 0.00 0.00 55.73 54.67 1pmp s ARG 52 Cb -0.14 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.86 1pmp s ARG 52 CO -0.10 -0.53 0.47 0.99 -0.81 0.00 0.00 175.30 175.32 1pmp s THR 53 N 1.50 5.11 -0.05 4.11 2.01 0.95 -1.45 115.64 127.82 1pmp s THR 53 Ca -0.03 0.79 0.04 0.00 0.31 0.00 0.00 61.69 62.80 1pmp s THR 53 Cb -0.17 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 1pmp s THR 53 CO -0.07 0.12 -0.16 -1.61 -0.69 0.00 0.00 174.62 172.21 1pmp s GLU 54 N 2.15 2.55 -0.10 4.92 2.02 0.11 -0.88 118.70 129.46 1pmp s GLU 54 Ca 0.19 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 54.15 1pmp s GLU 54 Cb -0.16 -2.35 0.10 0.00 0.10 0.00 0.00 34.13 31.82 1pmp s GLU 54 CO 0.09 0.56 0.85 -1.54 0.02 0.00 0.00 175.26 175.25 1pmp s SER 55 N -0.58 -0.50 0.51 -0.19 1.04 -1.06 -0.90 113.70 112.04 1pmp s SER 55 Ca 0.08 0.51 0.17 0.00 0.48 0.00 0.00 55.95 57.19 1pmp s SER 55 Cb -0.11 0.41 1.27 0.00 0.10 0.00 0.00 66.02 67.69 1pmp s SER 55 CO 0.01 -0.48 2.13 -0.65 0.98 0.00 0.00 173.24 175.23 1pmp h PRO 56 N 2.70 0.00 0.07 4.02 0.11 -1.99 -2.71 132.00 134.20 1pmp h PRO 56 Ca -0.22 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.64 1pmp h PRO 56 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1pmp h PRO 56 CO 0.35 0.03 -1.10 0.35 -0.21 0.00 0.00 178.00 177.41 1pmp h PHE 57 N 0.00 0.32 -1.60 0.65 3.57 -1.98 -3.48 116.94 114.42 1pmp h PHE 57 Ca -0.00 -0.22 0.07 0.00 3.53 0.00 0.00 57.97 61.35 1pmp h PHE 57 Cb 0.05 -0.02 -0.23 0.00 2.79 0.00 0.00 35.95 38.55 1pmp h PHE 57 CO 0.00 1.15 0.52 0.21 -2.23 0.00 0.00 178.31 177.95 1pmp s LYS 58 N -2.77 0.63 0.30 1.11 2.20 -1.02 -5.18 119.74 115.01 1pmp s LYS 58 Ca -0.02 0.15 0.11 0.00 -0.36 0.00 0.00 55.97 55.85 1pmp s LYS 58 Cb 0.08 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 1pmp s LYS 58 CO 0.86 -0.20 -0.13 -0.80 -0.36 0.00 0.00 175.35 174.72 1pmp s ASN 59 N -1.12 3.80 -0.28 1.43 0.01 -1.26 -2.55 114.94 114.97 1pmp s ASN 59 Ca -0.03 -1.02 -0.16 0.00 -0.71 0.00 0.00 52.86 50.94 1pmp s ASN 59 Cb -0.00 -0.40 0.08 0.00 0.41 0.00 0.00 41.25 41.33 1pmp s ASN 59 CO 0.02 -0.05 0.69 -0.89 -1.51 0.00 0.00 177.10 175.36 1pmp s THR 60 N -2.51 -0.00 0.03 1.60 2.01 -0.06 -4.97 115.64 111.73 1pmp s THR 60 Ca 0.31 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.35 1pmp s THR 60 Cb -0.03 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 1pmp s THR 60 CO 0.16 0.00 -0.11 -1.61 -0.69 0.00 0.00 174.62 172.38 1pmp s GLU 61 N 1.60 0.76 -0.11 4.92 2.02 -1.26 -0.03 118.70 126.60 1pmp s GLU 61 Ca -0.10 -0.61 -0.08 0.00 0.02 0.00 0.00 54.97 54.20 1pmp s GLU 61 Cb -0.05 -0.71 0.04 0.00 0.10 0.00 0.00 34.13 33.50 1pmp s GLU 61 CO -0.19 0.18 0.28 0.96 0.02 0.00 0.00 175.26 176.51 1pmp s ILE 62 N -0.75 -0.02 -0.14 -1.63 -4.36 -0.87 -4.96 121.20 108.48 1pmp s ILE 62 Ca -0.00 0.06 -0.01 0.00 -0.26 0.00 0.00 60.65 60.44 1pmp s ILE 62 Cb -0.07 -0.41 0.04 0.00 1.25 0.00 0.00 42.46 43.26 1pmp s ILE 62 CO 0.01 0.02 -0.05 -0.44 0.24 0.00 0.00 174.94 174.72 1pmp s SER 63 N 0.63 2.53 0.24 4.36 0.01 -1.25 -2.14 113.70 118.07 1pmp s SER 63 Ca -0.04 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1pmp s SER 63 Cb -0.05 -0.84 -0.05 0.00 0.21 0.00 0.00 66.02 65.29 1pmp s SER 63 CO -0.04 -0.17 0.11 0.72 0.41 0.00 0.00 173.24 174.28 1pmp s PHE 64 N 1.69 1.42 -0.10 2.43 -0.71 -0.54 -4.91 117.98 117.27 1pmp s PHE 64 Ca 0.02 -1.26 0.03 0.00 -1.04 0.00 0.00 56.93 54.68 1pmp s PHE 64 Cb -0.14 -0.79 0.01 0.00 -1.21 0.00 0.00 43.02 40.89 1pmp s PHE 64 CO -0.08 -0.45 -0.18 0.15 -1.34 0.00 0.00 175.22 173.32 1pmp s LYS 65 N -4.05 2.43 0.34 1.99 1.02 -1.26 0.14 119.74 120.35 1pmp s LYS 65 Ca 0.38 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.45 1pmp s LYS 65 Cb 0.07 -1.94 -0.12 0.00 -0.52 0.00 0.00 37.83 35.32 1pmp s LYS 65 CO 0.14 0.05 1.11 1.28 -0.92 0.00 0.00 175.35 177.01 1pmp n LEU 66 N 3.84 2.67 0.00 3.17 4.77 -1.26 -2.63 117.00 127.56 1pmp n LEU 66 Ca -0.20 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1pmp n LEU 66 Cb 0.52 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.23 1pmp n LEU 66 CO 0.26 -1.08 0.00 0.61 -1.33 0.00 0.00 177.39 175.85 1pmp n GLY 67 N 1.04 2.04 3.75 -0.72 0.00 0.72 -5.00 105.19 107.02 1pmp n GLY 67 Ca 0.08 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 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 2.73 0.29 1.61 -0.21 -1.08 -4.77 119.66 118.23 1pmp s GLN 68 Ca 0.00 1.74 -0.04 0.00 0.02 0.00 0.00 55.36 57.08 1pmp s GLN 68 Cb 0.00 -1.91 -0.05 0.00 1.00 0.00 0.00 33.01 32.05 1pmp s GLN 68 CO 0.00 -1.37 0.53 -2.00 -2.12 0.00 0.00 175.29 170.33 1pmp s GLU 69 N -3.60 3.59 0.20 2.91 2.12 -1.26 -4.27 118.70 118.40 1pmp s GLU 69 Ca 0.75 -0.09 -0.10 0.00 0.36 0.00 0.00 54.97 55.89 1pmp s GLU 69 Cb -0.28 -2.67 -0.01 0.00 0.26 0.00 0.00 34.13 31.43 1pmp s GLU 69 CO 0.37 0.23 0.36 -0.59 -0.54 0.00 0.00 175.26 175.09 1pmp s PHE 70 N -2.09 0.43 -0.28 5.30 -0.71 0.11 -5.00 117.98 115.73 1pmp s PHE 70 Ca 0.43 -0.77 -0.08 0.00 -1.04 0.00 0.00 56.93 55.46 1pmp s PHE 70 Cb -0.11 0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.71 1pmp s PHE 70 CO 0.31 -0.83 0.10 -1.21 -1.34 0.00 0.00 175.22 172.25 1pmp s GLU 71 N -4.00 3.43 -0.13 1.99 2.02 -1.26 -0.28 118.70 120.48 1pmp s GLU 71 Ca 0.21 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 1pmp s GLU 71 Cb 0.02 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 1pmp s GLU 71 CO 0.04 -0.32 -0.08 -2.00 0.02 0.00 0.00 175.26 172.92 1pmp s GLU 72 N 1.59 3.35 -0.36 1.61 2.12 0.22 -4.95 118.70 122.28 1pmp s GLU 72 Ca 0.05 -0.60 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 1pmp s GLU 72 Cb -0.16 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.51 1pmp s GLU 72 CO 0.04 0.32 0.21 0.99 -0.54 0.00 0.00 175.26 176.29 1pmp s THR 73 N 0.10 4.81 1.13 -1.70 2.01 -1.26 0.43 115.64 121.16 1pmp s THR 73 Ca -0.03 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.19 1pmp s THR 73 Cb -0.14 -3.59 0.25 0.00 0.01 0.00 0.00 72.50 69.03 1pmp s THR 73 CO 0.04 -0.14 1.09 0.42 -0.69 0.00 0.00 174.62 175.34 1pmp s THR 74 N 1.62 1.78 -0.51 -0.82 -4.23 0.13 -4.94 115.64 108.67 1pmp s THR 74 Ca 0.04 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.80 1pmp s THR 74 Cb -0.18 -2.46 0.28 0.00 1.34 0.00 0.00 72.50 71.48 1pmp s THR 74 CO 0.08 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 175.91 1pmp h ALA 75 N -2.33 1.00 -0.50 3.99 0.00 -1.93 -3.00 119.26 116.48 1pmp h ALA 75 Ca -0.50 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1pmp h ALA 75 Cb 1.31 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 1pmp h ALA 75 CO 0.45 0.00 0.12 -0.40 0.00 0.00 0.00 179.25 179.42 1pmp n ASP 76 N -2.39 3.51 -0.48 0.00 5.75 -1.26 -4.94 116.55 116.73 1pmp n ASP 76 Ca 0.03 -3.45 -0.06 0.00 -0.01 0.00 0.00 54.79 51.30 1pmp n ASP 76 Cb 0.33 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.72 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 -0.77 -4.95 -4.81 -1.12 5.15 -1.13 -4.99 115.26 102.63 1pmp n ASN 77 Ca 0.36 0.16 -0.34 0.00 -0.60 0.00 0.00 54.58 54.16 1pmp n ASN 77 Cb 1.17 -3.01 -0.06 0.00 -0.53 0.00 0.00 39.78 37.35 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 -2.19 4.11 -0.38 1.20 0.52 -1.26 -4.83 118.95 116.12 1pmp s ARG 78 Ca 0.00 1.22 -0.00 0.00 -0.52 0.00 0.00 55.73 56.43 1pmp s ARG 78 Cb 0.00 -2.20 0.11 0.00 0.52 0.00 0.00 34.95 33.38 1pmp s ARG 78 CO 0.00 -0.14 0.14 0.15 0.02 0.00 0.00 175.30 175.47 1pmp s LYS 79 N -3.12 1.80 0.13 3.54 1.02 -1.26 -0.69 119.74 121.17 1pmp s LYS 79 Ca 0.63 -1.84 0.04 0.00 0.02 0.00 0.00 55.97 54.82 1pmp s LYS 79 Cb -0.12 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1pmp s LYS 79 CO 0.16 -1.02 0.14 0.99 -0.92 0.00 0.00 175.35 174.70 1pmp s THR 80 N 1.05 4.62 -0.85 2.17 2.01 0.17 -4.83 115.64 119.98 1pmp s THR 80 Ca 0.09 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 1pmp s THR 80 Cb -0.21 -3.32 0.22 0.00 0.01 0.00 0.00 72.50 69.20 1pmp s THR 80 CO -0.06 -0.02 0.75 -0.54 -0.69 0.00 0.00 174.62 174.06 1pmp s LYS 81 N -2.87 3.36 0.20 4.92 -0.14 -0.64 0.70 119.74 125.27 1pmp s LYS 81 Ca 0.31 -2.85 0.04 0.00 -1.36 0.00 0.00 55.97 52.10 1pmp s LYS 81 Cb -0.11 -4.14 -0.03 0.00 -1.68 0.00 0.00 37.83 31.86 1pmp s LYS 81 CO 0.24 -1.24 0.31 -1.12 -0.76 0.00 0.00 175.35 172.77 1pmp s SER 82 N 0.98 6.25 -0.00 2.83 0.01 0.61 -2.88 113.70 121.51 1pmp s SER 82 Ca 0.23 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.59 1pmp s SER 82 Cb -0.12 -1.84 -0.00 0.00 0.21 0.00 0.00 66.02 64.27 1pmp s SER 82 CO -0.08 -0.01 -0.04 -0.89 0.41 0.00 0.00 173.24 172.63 1pmp s THR 83 N -1.87 0.29 -0.12 1.44 2.01 -0.93 0.04 115.64 116.50 1pmp s THR 83 Ca 0.34 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1pmp s THR 83 Cb -0.10 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.17 1pmp s THR 83 CO 0.28 0.08 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.41 1pmp s VAL 84 N -0.06 1.84 0.14 3.82 1.01 -1.26 -1.72 120.40 124.17 1pmp s VAL 84 Ca 0.01 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.24 1pmp s VAL 84 Cb -0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1pmp s VAL 84 CO -0.00 0.51 -0.26 -0.89 0.00 0.00 0.00 175.10 174.46 1pmp s THR 85 N 0.75 2.34 -0.25 3.92 2.01 0.31 -0.20 115.64 124.52 1pmp s THR 85 Ca -0.10 -1.78 0.02 0.00 0.31 0.00 0.00 61.69 60.15 1pmp s THR 85 Cb -0.16 -2.05 0.06 0.00 0.01 0.00 0.00 72.50 70.36 1pmp s THR 85 CO 0.01 0.06 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.68 1pmp s LEU 86 N -2.17 3.15 -0.23 4.42 2.96 -1.26 -1.07 118.68 124.49 1pmp s LEU 86 Ca 0.15 -1.30 -0.04 0.00 -0.22 0.00 0.00 54.13 52.73 1pmp s LEU 86 Cb -0.10 -1.45 0.10 0.00 0.50 0.00 0.00 46.19 45.23 1pmp s LEU 86 CO 0.07 -0.19 0.19 0.00 -1.32 0.00 0.00 176.35 175.10 1pmp s ALA 87 N 1.18 -0.03 -0.90 5.97 0.00 -0.98 -4.97 121.76 122.04 1pmp s ALA 87 Ca -0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 1pmp s ALA 87 Cb -0.19 -1.36 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1pmp s ALA 87 CO -0.06 -1.36 0.73 0.54 0.00 0.00 0.00 175.76 175.62 1pmp n ARG 88 N 5.30 -1.45 0.00 0.00 1.74 -1.26 -3.31 116.66 117.68 1pmp n ARG 88 Ca -0.05 1.00 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 1pmp n ARG 88 Cb 0.48 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 27.31 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 -1.66 1.96 3.56 -0.13 0.00 -1.26 -4.98 105.19 102.68 1pmp n GLY 89 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.35 4.44 -0.88 1.61 1.04 -1.21 -4.44 113.70 111.91 1pmp s SER 90 Ca 0.00 -0.17 -0.18 0.00 0.48 0.00 0.00 55.95 56.08 1pmp s SER 90 Cb 0.00 -1.00 0.15 0.00 0.10 0.00 0.00 66.02 65.27 1pmp s SER 90 CO 0.00 0.30 1.02 -0.76 0.98 0.00 0.00 173.24 174.78 1pmp s LEU 91 N -1.23 5.47 0.18 2.42 1.43 -0.31 -2.33 118.68 124.32 1pmp s LEU 91 Ca 0.15 -2.15 -0.23 0.00 -1.03 0.00 0.00 54.13 50.87 1pmp s LEU 91 Cb -0.11 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.68 1pmp s LEU 91 CO 0.05 -0.95 0.75 0.20 0.23 0.00 0.00 176.35 176.63 1pmp s ASN 92 N 3.27 7.26 -0.02 2.29 -0.87 -0.24 -1.83 114.94 124.80 1pmp s ASN 92 Ca 0.28 1.55 0.04 0.00 -1.57 0.00 0.00 52.86 53.16 1pmp s ASN 92 Cb -0.07 -2.47 -0.01 0.00 -0.02 0.00 0.00 41.25 38.68 1pmp s ASN 92 CO -0.08 0.15 -0.13 -1.58 -2.57 0.00 0.00 177.10 172.88 1pmp s GLN 93 N -1.45 1.14 -0.06 -0.60 0.74 0.30 -0.53 119.66 119.20 1pmp s GLN 93 Ca 0.38 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.37 1pmp s GLN 93 Cb -0.21 -1.07 0.00 0.00 1.10 0.00 0.00 33.01 32.84 1pmp s GLN 93 CO 0.24 0.25 -0.16 0.08 -0.55 0.00 0.00 175.29 175.15 1pmp s VAL 94 N -0.17 1.38 -0.14 1.34 1.01 -0.70 -0.83 120.40 122.30 1pmp s VAL 94 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1pmp s VAL 94 Cb -0.07 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1pmp s VAL 94 CO -0.00 0.41 -0.17 -1.10 0.00 0.00 0.00 175.10 174.24 1pmp s GLN 95 N 0.33 3.21 -0.04 2.72 -0.21 -0.55 -2.18 119.66 122.94 1pmp s GLN 95 Ca -0.10 -0.76 0.07 0.00 0.02 0.00 0.00 55.36 54.58 1pmp s GLN 95 Cb -0.14 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 1pmp s GLN 95 CO 0.04 0.09 -0.25 0.15 -2.12 0.00 0.00 175.29 173.19 1pmp s LYS 96 N 0.63 2.33 -0.28 2.91 1.02 -1.14 -2.32 119.74 122.89 1pmp s LYS 96 Ca -0.09 -0.90 -0.21 0.00 0.02 0.00 0.00 55.97 54.78 1pmp s LYS 96 Cb -0.16 -2.08 0.11 0.00 -0.52 0.00 0.00 37.83 35.18 1pmp s LYS 96 CO 0.03 0.45 0.90 1.67 -0.92 0.00 0.00 175.35 177.48 1pmp s TRP 97 N -0.35 -0.66 0.00 3.18 -2.14 -0.90 -1.62 118.94 116.45 1pmp s TRP 97 Ca 0.02 1.46 0.00 0.00 2.66 0.00 0.00 56.10 60.25 1pmp s TRP 97 Cb -0.12 0.39 0.00 0.00 -3.10 0.00 0.00 33.47 30.64 1pmp s TRP 97 CO 0.02 -0.32 0.00 0.09 -2.66 0.00 0.00 176.95 174.08 1pmp n ASN 98 N 3.00 0.00 -0.16 -2.66 3.02 -1.26 0.86 115.26 118.06 1pmp n ASN 98 Ca -0.15 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.41 1pmp n ASN 98 Cb 0.57 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.77 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 2.94 3.90 7.41 0.00 -1.26 -5.03 105.19 113.15 1pmp n GLY 99 Ca 0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.00 6.31 -0.29 1.61 0.02 0.25 -5.10 114.94 116.74 1pmp s ASN 100 Ca 0.06 1.03 -0.15 0.00 -1.02 0.00 0.00 52.86 52.77 1pmp s ASN 100 Cb 0.03 -2.29 0.11 0.00 0.02 0.00 0.00 41.25 39.12 1pmp s ASN 100 CO 0.04 -0.58 0.79 -0.70 0.02 0.00 0.00 177.10 176.66 1pmp s GLU 101 N -4.63 0.58 0.11 -0.60 2.12 -1.26 -2.12 118.70 112.90 1pmp s GLU 101 Ca 0.49 1.06 0.08 0.00 0.36 0.00 0.00 54.97 56.95 1pmp s GLU 101 Cb -0.10 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 1pmp s GLU 101 CO 0.44 -0.13 -0.19 -0.08 -0.54 0.00 0.00 175.26 174.75 1pmp s THR 102 N 1.70 1.64 -0.09 -1.70 -1.32 -0.98 -4.51 115.64 110.39 1pmp s THR 102 Ca -0.09 -1.60 0.04 0.00 -1.21 0.00 0.00 61.69 58.83 1pmp s THR 102 Cb -0.05 -1.56 -0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1pmp s THR 102 CO -0.18 -0.15 -0.24 -0.89 -2.21 0.00 0.00 174.62 170.95 1pmp s THR 103 N -1.42 2.00 -0.21 5.08 2.01 -0.39 -1.48 115.64 121.24 1pmp s THR 103 Ca 0.08 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1pmp s THR 103 Cb -0.09 -1.72 0.04 0.00 0.01 0.00 0.00 72.50 70.75 1pmp s THR 103 CO 0.04 0.55 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.78 1pmp s ILE 104 N 0.21 1.76 -0.15 1.82 1.01 -0.01 -1.16 121.20 124.68 1pmp s ILE 104 Ca -0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 60.65 59.39 1pmp s ILE 104 Cb -0.17 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 1pmp s ILE 104 CO 0.07 0.17 -0.10 -0.54 0.00 0.00 0.00 174.94 174.54 1pmp s LYS 105 N 1.34 3.42 -0.27 2.79 1.02 -0.71 0.11 119.74 127.44 1pmp s LYS 105 Ca -0.02 -0.65 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1pmp s LYS 105 Cb -0.17 -2.75 0.05 0.00 -0.52 0.00 0.00 37.83 34.44 1pmp s LYS 105 CO -0.08 0.12 -0.07 1.03 -0.92 0.00 0.00 175.35 175.43 1pmp s ARG 106 N 0.60 2.36 0.21 1.68 0.52 -0.76 -1.71 118.95 121.84 1pmp s ARG 106 Ca -0.06 -1.28 0.11 0.00 -0.52 0.00 0.00 55.73 53.97 1pmp s ARG 106 Cb -0.15 -2.99 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1pmp s ARG 106 CO 0.03 -0.57 -0.19 -1.59 0.02 0.00 0.00 175.30 173.00 1pmp s LYS 107 N 1.17 1.71 -0.23 3.54 -2.85 -0.57 -1.16 119.74 121.36 1pmp s LYS 107 Ca -0.07 -1.49 -0.08 0.00 -1.00 0.00 0.00 55.97 53.33 1pmp s LYS 107 Cb -0.20 -1.93 -0.04 0.00 -2.06 0.00 0.00 37.83 33.61 1pmp s LYS 107 CO -0.04 0.40 0.08 -0.51 0.10 0.00 0.00 175.35 175.38 1pmp s LEU 108 N -2.87 3.66 -0.18 2.77 1.43 -1.26 -0.33 118.68 121.88 1pmp s LEU 108 Ca 0.24 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1pmp s LEU 108 Cb -0.08 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.23 1pmp s LEU 108 CO 0.12 0.04 0.02 -0.69 0.23 0.00 0.00 176.35 176.07 1pmp s VAL 109 N 1.18 0.60 -1.36 -1.59 1.01 0.10 -4.90 120.40 115.44 1pmp s VAL 109 Ca 0.05 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 1pmp s VAL 109 Cb -0.14 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1pmp s VAL 109 CO 0.04 -0.14 0.49 0.47 0.00 0.00 0.00 175.10 175.95 1pmp n ASP 110 N 5.03 -0.98 -1.57 3.32 8.00 -1.26 -0.66 116.55 128.44 1pmp n ASP 110 Ca -0.09 -1.00 -0.17 0.00 0.71 0.00 0.00 54.79 54.25 1pmp n ASP 110 Cb 0.47 -3.16 -0.04 0.00 -0.02 0.00 0.00 41.12 38.37 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 -1.92 0.70 3.20 0.44 0.00 -1.26 -4.98 105.19 101.37 1pmp n GLY 111 Ca -0.28 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.09 0.96 -0.22 1.61 1.02 0.17 -4.44 119.74 114.75 1pmp s LYS 112 Ca 0.00 -0.96 -0.08 0.00 0.02 0.00 0.00 55.97 54.96 1pmp s LYS 112 Cb 0.00 -1.04 -0.04 0.00 -0.52 0.00 0.00 37.83 36.24 1pmp s LYS 112 CO 0.00 0.24 0.07 1.41 -0.92 0.00 0.00 175.35 176.16 1pmp s MET 113 N -1.60 3.84 -0.29 1.68 -2.45 -0.81 -0.72 119.30 118.95 1pmp s MET 113 Ca 0.01 -0.40 -0.04 0.00 -1.25 0.00 0.00 55.69 54.01 1pmp s MET 113 Cb -0.09 -3.29 0.03 0.00 1.25 0.00 0.00 34.83 32.72 1pmp s MET 113 CO 0.02 0.05 0.02 0.08 1.05 0.00 0.00 175.02 176.24 1pmp s VAL 114 N 1.00 3.36 -0.30 10.11 1.01 0.55 -1.14 120.40 134.98 1pmp s VAL 114 Ca 0.04 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 60.90 1pmp s VAL 114 Cb -0.14 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1pmp s VAL 114 CO 0.03 0.04 0.18 -0.69 0.00 0.00 0.00 175.10 174.66 1pmp s VAL 115 N 1.37 5.02 -0.19 2.92 1.01 -0.34 -1.51 120.40 128.68 1pmp s VAL 115 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1pmp s VAL 115 Cb -0.18 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1pmp s VAL 115 CO -0.01 0.16 -0.11 -0.70 0.00 0.00 0.00 175.10 174.44 1pmp s GLU 116 N 1.70 3.26 -0.20 2.72 2.12 -0.70 -1.18 118.70 126.42 1pmp s GLU 116 Ca 0.06 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.67 1pmp s GLU 116 Cb -0.16 -2.80 -0.00 0.00 0.26 0.00 0.00 34.13 31.42 1pmp s GLU 116 CO 0.09 -0.13 -0.09 0.00 -0.54 0.00 0.00 175.26 174.59 1pmp s LYS 118 N 1.25 1.99 -0.44 0.00 2.20 -0.31 -1.79 119.74 122.64 1pmp s LYS 118 Ca 0.03 -0.98 0.05 0.00 -0.36 0.00 0.00 55.97 54.71 1pmp s LYS 118 Cb -0.14 -2.00 0.17 0.00 -1.51 0.00 0.00 37.83 34.35 1pmp s LYS 118 CO -0.04 0.54 0.50 1.41 -0.36 0.00 0.00 175.35 177.40 1pmp s MET 119 N -0.80 0.90 0.00 4.03 -2.45 -0.68 -1.26 119.30 119.04 1pmp s MET 119 Ca 0.10 -1.37 0.00 0.00 -1.25 0.00 0.00 55.69 53.18 1pmp s MET 119 Cb -0.10 -0.69 0.00 0.00 1.25 0.00 0.00 34.83 35.29 1pmp s MET 119 CO -0.00 -1.32 0.00 0.36 1.05 0.00 0.00 175.02 175.11 1pmp n LYS 120 N 3.26 -0.53 -0.80 4.11 2.85 -1.26 -3.42 118.16 122.38 1pmp n LYS 120 Ca 0.21 0.83 0.00 0.00 -1.05 0.00 0.00 58.31 58.29 1pmp n LYS 120 Cb 0.51 -0.84 0.00 0.00 -0.65 0.00 0.00 35.03 34.05 1pmp n LYS 120 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1pmp n ASP 121 N 1.65 -2.21 -3.75 -5.58 2.03 -1.26 -5.03 116.55 102.40 1pmp n ASP 121 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 1pmp n ASP 121 Cb 0.31 -0.37 -0.15 0.00 -0.72 0.00 0.00 41.12 40.19 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 -2.12 -0.06 -0.05 5.18 1.01 -1.22 -5.13 120.40 118.01 1pmp s VAL 122 Ca 0.00 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1pmp s VAL 122 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 1pmp s VAL 122 CO 0.00 0.08 -0.19 -0.69 0.00 0.00 0.00 175.10 174.30 1pmp s VAL 123 N 1.19 1.61 -0.03 2.92 1.01 -1.26 -1.69 120.40 124.15 1pmp s VAL 123 Ca -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1pmp s VAL 123 Cb -0.12 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1pmp s VAL 123 CO -0.05 0.46 -0.09 0.00 0.00 0.00 0.00 175.10 175.41 1pmp s THR 125 N 0.27 1.86 -0.16 0.00 2.01 -0.30 -1.57 115.64 117.75 1pmp s THR 125 Ca -0.05 -1.23 -0.00 0.00 0.31 0.00 0.00 61.69 60.72 1pmp s THR 125 Cb -0.10 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.48 1pmp s THR 125 CO 0.01 0.12 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.79 1pmp s ARG 126 N 1.28 3.25 -0.02 4.92 0.52 -0.33 -1.24 118.95 127.34 1pmp s ARG 126 Ca -0.03 -0.73 0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1pmp s ARG 126 Cb -0.17 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 1pmp s ARG 126 CO -0.08 0.03 -0.01 0.42 0.02 0.00 0.00 175.30 175.69 1pmp s ILE 127 N 0.79 4.11 0.15 1.52 1.01 0.32 -1.20 121.20 127.90 1pmp s ILE 127 Ca -0.05 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.11 1pmp s ILE 127 Cb -0.15 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1pmp s ILE 127 CO 0.00 0.42 -0.15 -0.31 0.00 0.00 0.00 174.94 174.91 1pmp s TYR 128 N -1.04 1.55 0.11 3.97 1.51 -0.29 -0.89 117.35 122.27 1pmp s TYR 128 Ca 0.18 -0.56 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 1pmp s TYR 128 Cb -0.11 -0.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.92 1pmp s TYR 128 CO 0.08 0.23 -0.17 -1.21 -1.11 0.00 0.00 175.55 173.37 1pmp s GLU 129 N -3.03 1.85 0.14 -0.62 2.02 -0.09 -1.93 118.70 117.04 1pmp s GLU 129 Ca 0.14 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.69 1pmp s GLU 129 Cb -0.03 -2.14 -0.07 0.00 0.10 0.00 0.00 34.13 31.99 1pmp s GLU 129 CO 0.04 0.49 0.95 0.21 0.02 0.00 0.00 175.26 176.97 1pmp s LYS 130 N -2.08 4.72 0.00 1.61 2.20 -1.26 0.87 119.74 125.81 1pmp s LYS 130 Ca 0.18 1.44 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 1pmp s LYS 130 Cb -0.11 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1pmp s LYS 130 CO 0.10 0.29 0.00 0.28 -0.36 0.00 0.00 175.35 175.66