#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkp s ASN 5 N 0.00 6.27 0.35 4.38 2.47 -1.26 -4.93 114.94 122.21 1pkp s ASN 5 Ca 0.00 -0.50 0.09 0.00 0.42 0.00 0.00 52.86 52.87 1pkp s ASN 5 Cb 0.00 -2.28 0.81 0.00 -1.45 0.00 0.00 41.25 38.33 1pkp s ASN 5 CO 0.00 -0.70 1.84 -0.65 -3.72 0.00 0.00 177.10 173.88 1pkp h PRO 6 N 8.82 0.68 0.00 0.43 0.11 -1.94 -1.86 132.00 138.24 1pkp h PRO 6 Ca -0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1pkp h PRO 6 Cb 1.10 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1pkp h PRO 6 CO 0.85 0.45 0.00 0.09 -0.21 0.00 0.00 178.00 179.19 1pkp n ASN 7 N -4.60 0.10 -0.29 -2.05 4.13 -1.26 -0.93 115.26 110.36 1pkp n ASN 7 Ca 0.19 0.53 0.12 0.00 1.68 0.00 0.00 54.58 57.10 1pkp n ASN 7 Cb 0.51 -0.55 0.21 0.00 -1.54 0.00 0.00 39.78 38.41 1pkp n ASN 7 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pkp n LYS 8 N -1.61 0.83 -4.37 3.52 5.02 -0.70 -4.94 118.16 115.92 1pkp n LYS 8 Ca 0.03 -0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 55.43 1pkp n LYS 8 Cb 0.14 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 1pkp n LYS 8 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pkp s LEU 9 N -2.57 2.88 -0.38 -0.35 1.43 -0.11 -5.08 118.68 114.49 1pkp s LEU 9 Ca 0.20 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1pkp s LEU 9 Cb 0.18 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1pkp s LEU 9 CO 0.58 0.21 0.36 -0.70 0.23 0.00 0.00 176.35 177.02 1pkp s GLU 10 N -1.94 3.26 -0.14 1.70 2.56 -1.26 -4.98 118.70 117.90 1pkp s GLU 10 Ca 0.19 -0.70 -0.03 0.00 0.00 0.00 0.00 54.97 54.42 1pkp s GLU 10 Cb -0.11 -3.90 -0.03 0.00 2.00 0.00 0.00 34.13 32.09 1pkp s GLU 10 CO 0.10 -0.68 -0.03 -0.51 -0.56 0.00 0.00 175.26 173.58 1pkp s LEU 11 N 1.95 3.32 0.18 2.70 1.43 -1.26 -4.39 118.68 122.61 1pkp s LEU 11 Ca 0.10 -0.07 -0.25 0.00 -1.03 0.00 0.00 54.13 52.87 1pkp s LEU 11 Cb -0.17 -1.79 -0.08 0.00 0.03 0.00 0.00 46.19 44.18 1pkp s LEU 11 CO 0.12 0.22 0.79 -0.70 0.23 0.00 0.00 176.35 177.01 1pkp s GLU 12 N 0.08 4.57 -0.16 1.70 2.12 0.24 -4.85 118.70 122.39 1pkp s GLU 12 Ca 0.00 1.17 0.02 0.00 0.36 0.00 0.00 54.97 56.52 1pkp s GLU 12 Cb -0.13 -3.22 0.02 0.00 0.26 0.00 0.00 34.13 31.05 1pkp s GLU 12 CO 0.03 0.55 -0.20 -1.21 -0.54 0.00 0.00 175.26 173.88 1pkp s GLU 13 N -1.24 2.96 0.04 4.30 2.02 -1.26 -1.96 118.70 123.56 1pkp s GLU 13 Ca 0.37 -0.82 0.06 0.00 0.02 0.00 0.00 54.97 54.60 1pkp s GLU 13 Cb -0.23 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1pkp s GLU 13 CO 0.26 -0.14 -0.15 1.03 0.02 0.00 0.00 175.26 176.28 1pkp s ARG 14 N 1.12 2.15 -0.31 1.61 0.52 -0.57 -5.01 118.95 118.47 1pkp s ARG 14 Ca 0.01 -0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 54.16 1pkp s ARG 14 Cb -0.14 -2.26 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 1pkp s ARG 14 CO -0.09 0.54 0.18 0.08 0.02 0.00 0.00 175.30 176.04 1pkp s VAL 15 N -0.98 4.90 -0.15 3.52 1.01 -1.26 -1.36 120.40 126.07 1pkp s VAL 15 Ca 0.16 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1pkp s VAL 15 Cb -0.11 -3.46 -0.23 0.00 0.00 0.00 0.00 36.38 32.58 1pkp s VAL 15 CO 0.07 0.09 0.24 0.52 0.00 0.00 0.00 175.10 176.02 1pkp n VAL 16 N 5.03 1.58 -3.75 2.92 0.31 -0.43 -5.00 118.33 119.00 1pkp n VAL 16 Ca -0.14 -0.72 -0.13 0.00 -0.01 0.00 0.00 64.34 63.34 1pkp n VAL 16 Cb 0.50 -1.20 -0.09 0.00 -0.91 0.00 0.00 33.84 32.14 1pkp n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkp s ALA 17 N -2.54 -0.84 -0.04 3.52 0.00 -1.19 -4.97 121.76 115.68 1pkp s ALA 17 Ca -0.18 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1pkp s ALA 17 Cb 0.07 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.21 1pkp s ALA 17 CO 0.76 -0.25 0.02 0.08 0.00 0.00 0.00 175.76 176.36 1pkp s VAL 18 N -1.13 0.14 -0.06 0.00 1.01 -1.26 -0.93 120.40 118.17 1pkp s VAL 18 Ca -0.12 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1pkp s VAL 18 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.02 1pkp s VAL 18 CO 0.04 0.18 -0.17 0.20 0.00 0.00 0.00 175.10 175.36 1pkp s ASN 19 N 1.58 3.81 0.00 3.32 0.01 0.39 -0.51 114.94 123.54 1pkp s ASN 19 Ca -0.02 -0.28 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 1pkp s ASN 19 Cb -0.13 -0.93 0.00 0.00 0.41 0.00 0.00 41.25 40.60 1pkp s ASN 19 CO -0.03 0.30 0.00 -1.14 -1.51 0.00 0.00 177.10 174.72 1pkp n ARG 20 N 2.61 0.00 0.00 -0.60 0.63 0.35 -0.81 116.66 118.84 1pkp n ARG 20 Ca -0.17 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1pkp n ARG 20 Cb 0.52 -0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1pkp n ARG 20 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1pkp n VAL 21 N 2.85 0.00 -1.71 5.15 0.31 -1.26 -4.52 118.33 119.15 1pkp n VAL 21 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1pkp n VAL 21 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1pkp n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkp n ALA 22 N 0.00 4.06 0.00 3.52 0.00 -1.26 -4.84 120.51 121.98 1pkp n ALA 22 Ca 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.85 1pkp n ALA 22 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 15.87 1pkp n ALA 22 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pkp n LYS 23 N 7.02 0.00 -3.32 0.00 4.76 -1.26 -4.38 118.16 120.97 1pkp n LYS 23 Ca 0.50 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 55.48 1pkp n LYS 23 Cb 0.41 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.56 1pkp n LYS 23 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pkp s VAL 24 N 0.00 5.20 -0.14 -0.18 0.11 -1.26 0.13 120.40 124.25 1pkp s VAL 24 Ca 0.00 -1.58 0.05 0.00 -2.93 0.00 0.00 61.98 57.52 1pkp s VAL 24 Cb 0.00 -4.32 -0.23 0.00 -1.53 0.00 0.00 36.38 30.29 1pkp s VAL 24 CO 0.00 -0.88 0.27 1.33 -3.33 0.00 0.00 175.10 172.49 1pkp n VAL 25 N 5.15 1.60 -0.38 2.04 0.24 0.28 -4.92 118.33 122.34 1pkp n VAL 25 Ca -0.12 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.47 1pkp n VAL 25 Cb 0.40 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 1pkp n VAL 25 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1pkp n LYS 26 N -3.18 0.00 0.00 7.34 5.02 0.33 -4.80 118.16 122.87 1pkp n LYS 26 Ca -0.31 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1pkp n LYS 26 Cb 1.06 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 1pkp n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pkp n GLY 27 N -2.00 2.41 0.00 0.72 0.00 -1.26 -4.24 105.19 100.82 1pkp n GLY 27 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1pkp n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pkp n GLY 28 N 0.00 2.76 3.19 -0.02 0.00 -1.26 -5.14 105.19 104.72 1pkp n GLY 28 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1pkp n GLY 28 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pkp s ARG 29 N 4.97 0.49 0.00 1.61 3.03 -1.26 -4.75 118.95 123.04 1pkp s ARG 29 Ca 0.00 0.06 0.00 0.00 2.03 0.00 0.00 55.73 57.82 1pkp s ARG 29 Cb 0.00 0.22 0.00 0.00 -1.03 0.00 0.00 34.95 34.14 1pkp s ARG 29 CO 0.00 -0.11 0.00 0.54 -1.13 0.00 0.00 175.30 174.60 1pkp n ARG 30 N 2.08 0.00 0.00 3.89 1.74 -1.26 -4.88 116.66 118.24 1pkp n ARG 30 Ca -0.18 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1pkp n ARG 30 Cb 0.57 -0.16 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 1pkp n ARG 30 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1pkp n LEU 31 N -0.03 0.00 -3.74 0.55 -0.00 -1.26 -4.68 117.00 107.84 1pkp n LEU 31 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 1pkp n LEU 31 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 1pkp n LEU 31 CO 0.00 0.00 0.01 -0.60 -0.00 0.00 0.00 177.39 176.80 1pkp s ARG 32 N 0.00 0.39 0.07 1.96 6.06 -1.26 -4.62 118.95 121.55 1pkp s ARG 32 Ca 0.00 0.54 0.03 0.00 -2.50 0.00 0.00 55.73 53.80 1pkp s ARG 32 Cb 0.00 0.14 -0.03 0.00 0.06 0.00 0.00 34.95 35.12 1pkp s ARG 32 CO 0.00 -0.07 -0.10 -0.06 -2.50 0.00 0.00 175.30 172.56 1pkp s PHE 33 N 0.45 0.95 -0.03 5.12 0.40 0.12 -4.52 117.98 120.49 1pkp s PHE 33 Ca -0.02 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 55.80 1pkp s PHE 33 Cb -0.04 -0.54 -0.01 0.00 0.51 0.00 0.00 43.02 42.94 1pkp s PHE 33 CO -0.02 -0.02 -0.17 -1.54 0.70 0.00 0.00 175.22 174.17 1pkp s SER 34 N -1.97 2.03 0.15 1.36 1.04 0.01 -1.64 113.70 114.69 1pkp s SER 34 Ca -0.02 -0.32 0.09 0.00 0.48 0.00 0.00 55.95 56.18 1pkp s SER 34 Cb -0.07 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.63 1pkp s SER 34 CO 0.01 0.18 -0.14 0.00 0.98 0.00 0.00 173.24 174.26 1pkp s ALA 35 N -0.20 2.80 -0.10 5.32 0.00 -0.45 -0.46 121.76 128.68 1pkp s ALA 35 Ca 0.02 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 50.59 1pkp s ALA 35 Cb -0.09 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.36 1pkp s ALA 35 CO 0.01 0.53 -0.23 -1.17 0.00 0.00 0.00 175.76 174.89 1pkp s LEU 36 N -2.49 2.15 -0.00 0.00 2.96 -0.10 -1.75 118.68 119.45 1pkp s LEU 36 Ca 0.21 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1pkp s LEU 36 Cb -0.10 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.16 1pkp s LEU 36 CO 0.12 0.18 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.54 1pkp s VAL 37 N 0.25 0.80 -0.05 1.68 1.01 -0.36 -1.31 120.40 122.41 1pkp s VAL 37 Ca -0.16 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1pkp s VAL 37 Cb -0.17 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1pkp s VAL 37 CO 0.08 0.20 -0.24 -0.69 0.00 0.00 0.00 175.10 174.45 1pkp s VAL 38 N -0.29 1.95 0.15 2.92 1.01 -0.47 -1.25 120.40 124.43 1pkp s VAL 38 Ca 0.04 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.09 1pkp s VAL 38 Cb -0.04 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1pkp s VAL 38 CO -0.00 0.55 -0.19 0.68 0.00 0.00 0.00 175.10 176.13 1pkp s VAL 39 N -0.16 1.82 -0.01 2.92 -7.23 -0.50 -1.52 120.40 115.72 1pkp s VAL 39 Ca -0.03 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 1pkp s VAL 39 Cb -0.13 -1.80 0.12 0.00 0.56 0.00 0.00 36.38 35.13 1pkp s VAL 39 CO 0.03 -0.25 1.28 -0.83 -0.31 0.00 0.00 175.10 175.02 1pkp s GLY 40 N -2.51 -0.41 -0.10 2.32 0.00 -0.83 -1.30 107.32 104.49 1pkp s GLY 40 Ca 0.14 0.69 0.13 0.00 0.00 0.00 0.00 44.72 45.68 1pkp s GLY 40 CO 0.06 0.12 1.24 2.09 0.00 0.00 0.00 173.10 176.61 1pkp n ASP 41 N -0.49 2.94 -1.01 1.64 5.75 -0.66 -0.60 116.55 124.12 1pkp n ASP 41 Ca -0.09 -2.67 -0.11 0.00 -0.01 0.00 0.00 54.79 51.92 1pkp n ASP 41 Cb 0.63 -0.36 -0.05 0.00 -1.03 0.00 0.00 41.12 40.31 1pkp n ASP 41 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1pkp n LYS 42 N -0.58 -1.55 -2.65 0.11 5.02 -0.29 -4.76 118.16 113.47 1pkp n LYS 42 Ca 0.14 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1pkp n LYS 42 Cb 0.62 -4.97 0.05 0.00 -0.02 0.00 0.00 35.03 30.71 1pkp n LYS 42 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pkp n ASN 43 N -0.55 1.51 0.00 4.39 4.05 -1.17 -4.19 115.26 119.29 1pkp n ASN 43 Ca -0.11 -2.03 0.00 0.00 0.45 0.00 0.00 54.58 52.89 1pkp n ASN 43 Cb 0.47 -0.45 0.00 0.00 1.23 0.00 0.00 39.78 41.03 1pkp n ASN 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1pkp n GLY 44 N -0.45 0.73 2.75 8.20 0.00 0.11 -4.93 105.19 111.60 1pkp n GLY 44 Ca 0.07 -0.56 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1pkp n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pkp s HIS 45 N -2.00 0.67 0.08 1.61 3.76 -1.26 -0.93 115.29 117.23 1pkp s HIS 45 Ca 0.00 -0.29 0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1pkp s HIS 45 Cb 0.00 -0.82 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 1pkp s HIS 45 CO 0.00 -0.39 -0.11 0.14 -0.85 0.00 0.00 174.74 173.54 1pkp s VAL 46 N 1.97 0.90 0.06 -0.90 -7.23 -1.13 -1.65 120.40 112.43 1pkp s VAL 46 Ca 0.04 -1.47 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1pkp s VAL 46 Cb -0.13 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.66 1pkp s VAL 46 CO -0.06 -0.46 0.33 -0.83 -0.31 0.00 0.00 175.10 173.77 1pkp s GLY 47 N -2.15 -0.15 0.22 2.32 0.00 -0.42 -0.56 107.32 106.58 1pkp s GLY 47 Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 44.72 44.78 1pkp s GLY 47 CO 0.01 -0.26 -0.12 -0.11 0.00 0.00 0.00 173.10 172.62 1pkp s PHE 48 N -2.92 1.76 0.19 1.90 -0.71 -1.26 -1.41 117.98 115.52 1pkp s PHE 48 Ca -0.02 -0.62 -0.17 0.00 -1.04 0.00 0.00 56.93 55.08 1pkp s PHE 48 Cb 0.00 -0.88 0.03 0.00 -1.21 0.00 0.00 43.02 40.96 1pkp s PHE 48 CO -0.06 0.32 0.49 0.20 -1.34 0.00 0.00 175.22 174.84 1pkp s GLY 49 N -3.35 -0.06 0.07 1.99 0.00 -0.38 -3.69 107.32 101.90 1pkp s GLY 49 Ca 0.24 -0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.77 1pkp s GLY 49 CO 0.08 -0.31 -0.17 -1.59 0.00 0.00 0.00 173.10 171.10 1pkp s THR 50 N -3.87 1.39 0.02 0.90 2.01 -1.26 -1.23 115.64 113.60 1pkp s THR 50 Ca 0.09 -1.28 -0.07 0.00 0.31 0.00 0.00 61.69 60.75 1pkp s THR 50 Cb -0.00 -1.27 -0.00 0.00 0.01 0.00 0.00 72.50 71.23 1pkp s THR 50 CO -0.04 -0.04 0.13 -0.83 -0.69 0.00 0.00 174.62 173.15 1pkp s GLY 51 N -1.53 0.10 -0.01 4.40 0.00 -0.71 -3.80 107.32 105.76 1pkp s GLY 51 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1pkp s GLY 51 CO 0.02 -0.49 0.00 0.54 0.00 0.00 0.00 173.10 173.18 1pkp s LYS 52 N -2.11 0.10 0.11 2.90 1.02 -1.26 -1.34 119.74 119.16 1pkp s LYS 52 Ca -0.09 0.04 -0.26 0.00 0.02 0.00 0.00 55.97 55.68 1pkp s LYS 52 Cb -0.04 -0.20 0.08 0.00 -0.52 0.00 0.00 37.83 37.15 1pkp s LYS 52 CO -0.02 -0.05 1.08 0.00 -0.92 0.00 0.00 175.35 175.43 1pkp s ALA 53 N 0.44 -1.82 -0.80 5.17 0.00 -0.65 -4.70 121.76 119.39 1pkp s ALA 53 Ca -0.04 0.15 0.26 0.00 0.00 0.00 0.00 51.96 52.34 1pkp s ALA 53 Cb -0.06 0.61 0.83 0.00 0.00 0.00 0.00 23.12 24.50 1pkp s ALA 53 CO -0.01 -1.06 1.72 0.94 0.00 0.00 0.00 175.76 177.36 1pkp n GLN 54 N -0.55 0.19 -4.87 0.00 -0.06 -1.26 0.12 117.38 110.94 1pkp n GLN 54 Ca -0.05 0.13 -0.33 0.00 -2.00 0.00 0.00 57.00 54.75 1pkp n GLN 54 Cb 0.61 -1.69 -0.14 0.00 -4.06 0.00 0.00 30.24 24.96 1pkp n GLN 54 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1pkp s GLU 55 N -3.08 2.88 0.22 3.69 2.02 -1.26 -4.49 118.70 118.68 1pkp s GLU 55 Ca 0.11 -0.71 -0.09 0.00 0.02 0.00 0.00 54.97 54.30 1pkp s GLU 55 Cb 0.14 -2.47 0.32 0.00 0.10 0.00 0.00 34.13 32.22 1pkp s GLU 55 CO 0.61 0.43 1.71 0.28 0.02 0.00 0.00 175.26 178.31 1pkp h VAL 56 N 4.85 0.65 -0.64 2.63 2.07 -1.87 -2.93 116.25 121.00 1pkp h VAL 56 Ca -0.36 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1pkp h VAL 56 Cb 1.18 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1pkp h VAL 56 CO 0.52 0.05 0.37 -0.65 0.02 0.00 0.00 177.57 177.88 1pkp h PRO 57 N 0.29 0.89 -0.53 1.57 0.11 -1.97 -1.54 132.00 130.82 1pkp h PRO 57 Ca 0.33 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1pkp h PRO 57 Cb 0.49 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1pkp h PRO 57 CO -0.40 0.66 0.24 0.93 -0.21 0.00 0.00 178.00 179.22 1pkp h GLU 58 N 0.88 0.77 -0.67 1.05 4.39 -1.97 -0.14 114.58 118.89 1pkp h GLU 58 Ca 0.23 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1pkp h GLU 58 Cb 0.02 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.50 1pkp h GLU 58 CO -0.04 0.65 0.32 0.00 -1.16 0.00 0.00 179.01 178.78 1pkp h ALA 59 N 1.08 1.30 -0.34 3.43 0.00 -1.32 -0.96 119.26 122.45 1pkp h ALA 59 Ca 0.18 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1pkp h ALA 59 Cb 0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pkp h ALA 59 CO -0.02 0.54 -0.39 0.82 0.00 0.00 0.00 179.25 180.20 1pkp h ILE 60 N 0.95 1.28 -0.89 0.00 2.04 -0.64 -1.50 117.51 118.74 1pkp h ILE 60 Ca 0.23 -1.57 0.02 0.00 1.00 0.00 0.00 64.86 64.55 1pkp h ILE 60 Cb 0.10 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 1pkp h ILE 60 CO -0.03 0.52 0.59 -0.09 0.00 0.00 0.00 178.15 179.13 1pkp h ARG 61 N 0.67 1.13 -0.11 2.37 2.43 -0.49 -1.25 114.38 119.13 1pkp h ARG 61 Ca 0.05 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.94 1pkp h ARG 61 Cb 0.98 -0.26 0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1pkp h ARG 61 CO 0.09 0.75 -0.79 0.87 -1.51 0.00 0.00 179.97 179.38 1pkp h LYS 62 N 1.17 0.65 -0.41 0.20 1.57 -1.18 -2.08 116.57 116.49 1pkp h LYS 62 Ca 0.33 -0.55 -0.07 0.00 -1.87 0.00 0.00 60.65 58.50 1pkp h LYS 62 Cb -0.08 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1pkp h LYS 62 CO -0.08 1.17 -0.04 0.00 -0.57 0.00 0.00 179.45 179.93 1pkp h ALA 63 N 0.67 1.17 -0.28 3.86 0.00 -0.94 -2.05 119.26 121.69 1pkp h ALA 63 Ca -0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1pkp h ALA 63 Cb 1.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1pkp h ALA 63 CO 0.15 0.53 -0.12 0.82 0.00 0.00 0.00 179.25 180.64 1pkp h ILE 64 N 0.63 1.29 -0.88 0.00 2.04 -1.17 -1.01 117.51 118.41 1pkp h ILE 64 Ca 0.12 -1.20 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1pkp h ILE 64 Cb 0.45 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 1pkp h ILE 64 CO 0.02 0.38 0.53 -0.33 0.00 0.00 0.00 178.15 178.76 1pkp h GLU 65 N 0.33 1.19 0.04 2.37 5.08 -1.27 -2.17 114.58 120.14 1pkp h GLU 65 Ca 0.07 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pkp h GLU 65 Cb 0.63 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1pkp h GLU 65 CO 0.04 0.83 -0.02 0.22 -1.00 0.00 0.00 179.01 179.08 1pkp h ASP 66 N 1.21 -0.04 -0.87 1.42 3.58 -1.27 -3.10 116.42 117.35 1pkp h ASP 66 Ca 0.32 -0.13 0.13 0.00 0.42 0.00 0.00 57.03 57.77 1pkp h ASP 66 Cb -0.06 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 40.92 1pkp h ASP 66 CO -0.06 0.10 0.49 0.00 -2.88 0.00 0.00 179.24 176.89 1pkp h ALA 67 N 0.78 1.30 0.00 -0.78 0.00 -1.08 -1.05 119.26 118.43 1pkp h ALA 67 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pkp h ALA 67 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pkp h ALA 67 CO 0.01 0.02 0.00 0.87 0.00 0.00 0.00 179.25 180.15 1pkp h LYS 68 N 0.74 0.00 -0.01 0.00 1.57 -1.32 -0.02 116.57 117.53 1pkp h LYS 68 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1pkp h LYS 68 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1pkp h LYS 68 CO -0.31 0.00 -0.21 1.63 -0.57 0.00 0.00 179.45 179.99 1pkp n LYS 69 N -2.68 1.34 -2.05 3.15 5.02 -0.41 -4.32 118.16 118.21 1pkp n LYS 69 Ca -0.01 -0.94 -0.10 0.00 -2.02 0.00 0.00 58.31 55.24 1pkp n LYS 69 Cb 0.15 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 1pkp n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pkp n ASN 70 N -0.01 3.14 -4.72 4.39 3.02 -0.02 -5.05 115.26 116.00 1pkp n ASN 70 Ca 0.13 -3.08 -0.42 0.00 -0.03 0.00 0.00 54.58 51.19 1pkp n ASN 70 Cb 0.42 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 1pkp n ASN 70 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pkp s LEU 71 N -3.32 4.42 0.42 3.41 1.02 -1.22 -4.33 118.68 119.08 1pkp s LEU 71 Ca 0.40 1.99 0.07 0.00 0.02 0.00 0.00 54.13 56.61 1pkp s LEU 71 Cb 0.37 -3.59 -0.07 0.00 0.02 0.00 0.00 46.19 42.93 1pkp s LEU 71 CO -0.02 -0.33 0.07 0.27 0.02 0.00 0.00 176.35 176.36 1pkp s ILE 72 N 0.49 2.03 -0.05 -0.59 -4.36 0.28 -4.66 121.20 114.34 1pkp s ILE 72 Ca 0.54 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 59.08 1pkp s ILE 72 Cb -0.28 -2.93 -0.01 0.00 1.25 0.00 0.00 42.46 40.49 1pkp s ILE 72 CO 0.31 0.00 -0.21 -0.70 0.24 0.00 0.00 174.94 174.58 1pkp s GLU 73 N -3.79 2.19 -0.07 0.37 2.12 -1.26 -2.82 118.70 115.43 1pkp s GLU 73 Ca 0.35 -0.77 0.04 0.00 0.36 0.00 0.00 54.97 54.95 1pkp s GLU 73 Cb 0.07 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.59 1pkp s GLU 73 CO 0.18 0.32 -0.19 0.08 -0.54 0.00 0.00 175.26 175.11 1pkp s VAL 74 N -0.08 1.66 0.08 3.70 1.01 -0.11 -4.97 120.40 121.68 1pkp s VAL 74 Ca -0.03 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1pkp s VAL 74 Cb -0.13 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.74 1pkp s VAL 74 CO 0.03 0.47 1.38 -2.16 0.00 0.00 0.00 175.10 174.82 1pkp s PRO 75 N 0.33 4.32 -0.05 2.72 0.04 -1.26 -4.59 135.00 136.50 1pkp s PRO 75 Ca -0.13 2.02 0.03 0.00 0.04 0.00 0.00 61.00 62.96 1pkp s PRO 75 Cb -0.16 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1pkp s PRO 75 CO 0.06 -0.46 -0.15 0.42 0.04 0.00 0.00 177.00 176.90 1pkp s ILE 76 N 1.48 1.33 -0.34 0.56 1.01 -1.26 -4.30 121.20 119.68 1pkp s ILE 76 Ca 0.64 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 1pkp s ILE 76 Cb -0.35 -1.16 0.06 0.00 0.01 0.00 0.00 42.46 41.02 1pkp s ILE 76 CO 0.29 0.39 0.08 -0.69 0.00 0.00 0.00 174.94 175.01 1pkp s VAL 77 N 0.26 3.26 0.00 2.92 1.01 0.38 -4.93 120.40 123.30 1pkp s VAL 77 Ca -0.08 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1pkp s VAL 77 Cb -0.13 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1pkp s VAL 77 CO 0.03 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1pkp n GLY 78 N 4.66 1.73 0.00 4.51 0.00 -1.26 -2.38 105.19 112.45 1pkp n GLY 78 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1pkp n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pkp n THR 79 N 0.00 0.70 -4.11 2.61 -2.24 -1.26 -4.99 114.28 104.99 1pkp n THR 79 Ca 0.00 -0.74 -0.07 0.00 -2.27 0.00 0.00 64.05 60.97 1pkp n THR 79 Cb 0.00 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 68.87 1pkp n THR 79 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1pkp n THR 80 N -0.35 0.00 -3.91 4.28 5.66 -1.00 -0.64 114.28 118.32 1pkp n THR 80 Ca 0.00 -0.78 -0.31 0.00 -3.05 0.00 0.00 64.05 59.91 1pkp n THR 80 Cb 0.29 0.36 -0.04 0.00 -1.55 0.00 0.00 70.33 69.38 1pkp n THR 80 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1pkp s ILE 81 N -2.32 5.38 0.21 1.09 -4.36 -1.26 -0.47 121.20 119.47 1pkp s ILE 81 Ca 0.11 -0.35 0.35 0.00 -0.26 0.00 0.00 60.65 60.51 1pkp s ILE 81 Cb 0.01 -3.62 0.37 0.00 1.25 0.00 0.00 42.46 40.47 1pkp s ILE 81 CO 0.08 0.15 2.06 1.55 0.24 0.00 0.00 174.94 179.02 1pkp h PRO 82 N 3.14 0.00 -1.44 0.37 0.13 -1.89 -3.40 132.00 128.90 1pkp h PRO 82 Ca -0.45 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.99 1pkp h PRO 82 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1pkp h PRO 82 CO 0.75 0.00 0.83 -3.38 -0.23 0.00 0.00 178.00 175.97 1pkp s HIS 83 N -3.80 -0.06 0.55 1.56 -3.43 -1.26 -4.99 115.29 103.86 1pkp s HIS 83 Ca -0.01 -0.03 -0.20 0.00 -0.80 0.00 0.00 55.06 54.03 1pkp s HIS 83 Cb 0.10 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.74 1pkp s HIS 83 CO 0.42 -0.25 1.16 -1.21 -2.00 0.00 0.00 174.74 172.86 1pkp s GLU 84 N -2.42 3.25 -0.05 -0.38 2.02 -1.26 -4.64 118.70 115.23 1pkp s GLU 84 Ca 0.13 1.71 -0.24 0.00 0.02 0.00 0.00 54.97 56.59 1pkp s GLU 84 Cb 0.03 -2.01 0.05 0.00 0.10 0.00 0.00 34.13 32.30 1pkp s GLU 84 CO -0.04 -0.96 0.54 0.54 0.02 0.00 0.00 175.26 175.36 1pkp s VAL 85 N -1.68 0.02 -0.14 2.63 0.11 -0.89 -5.02 120.40 115.43 1pkp s VAL 85 Ca 0.74 -0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1pkp s VAL 85 Cb -0.27 -0.84 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1pkp s VAL 85 CO 0.30 -0.10 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.19 1pkp s ILE 86 N -1.16 1.62 0.10 7.04 1.01 -1.26 -1.51 121.20 127.04 1pkp s ILE 86 Ca -0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1pkp s ILE 86 Cb -0.02 -1.50 -0.07 0.00 0.01 0.00 0.00 42.46 40.88 1pkp s ILE 86 CO 0.07 0.47 0.53 -0.83 0.00 0.00 0.00 174.94 175.18 1pkp s GLY 87 N 1.34 2.53 -0.05 6.18 0.00 0.21 -4.62 107.32 112.91 1pkp s GLY 87 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1pkp s GLY 87 CO -0.09 0.24 0.08 0.30 0.00 0.00 0.00 173.10 173.64 1pkp s HIS 88 N -1.29 -0.02 -0.21 1.90 0.09 -1.26 -1.70 115.29 112.80 1pkp s HIS 88 Ca 0.33 0.33 -0.05 0.00 -0.00 0.00 0.00 55.06 55.67 1pkp s HIS 88 Cb -0.17 -0.34 0.11 0.00 -0.00 0.00 0.00 32.58 32.18 1pkp s HIS 88 CO 0.18 -0.18 0.38 0.12 -0.00 0.00 0.00 174.74 175.24 1pkp s PHE 89 N 1.86 -0.77 0.00 1.40 2.19 0.14 -4.84 117.98 117.97 1pkp s PHE 89 Ca 0.00 1.10 0.00 0.00 0.33 0.00 0.00 56.93 58.36 1pkp s PHE 89 Cb -0.12 0.12 0.00 0.00 -1.31 0.00 0.00 43.02 41.71 1pkp s PHE 89 CO -0.04 -0.59 0.00 0.41 1.83 0.00 0.00 175.22 176.83 1pkp n GLY 90 N 5.37 3.22 0.33 13.12 0.00 -1.26 -1.26 105.19 124.72 1pkp n GLY 90 Ca -0.06 -0.15 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1pkp n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkp n ALA 91 N 11.61 2.65 -2.88 4.61 0.00 -1.26 -4.85 120.51 130.38 1pkp n ALA 91 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 1pkp n ALA 91 Cb 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1pkp n ALA 91 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pkp s GLY 92 N -2.08 2.16 -0.20 0.00 0.00 -0.39 -0.37 107.32 106.45 1pkp s GLY 92 Ca 0.38 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 1pkp s GLY 92 CO 0.37 -0.44 0.46 1.85 0.00 0.00 0.00 173.10 175.34 1pkp s GLU 93 N -1.24 0.44 -0.03 2.90 2.12 -1.26 -0.68 118.70 120.94 1pkp s GLU 93 Ca 0.18 0.92 -0.02 0.00 0.36 0.00 0.00 54.97 56.41 1pkp s GLU 93 Cb -0.12 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.37 1pkp s GLU 93 CO 0.07 -0.17 0.07 -1.50 -0.54 0.00 0.00 175.26 173.19 1pkp s ILE 94 N 1.67 -0.03 -0.10 -3.70 2.07 -0.69 -0.67 121.20 119.75 1pkp s ILE 94 Ca -0.08 0.10 -0.12 0.00 -1.41 0.00 0.00 60.65 59.13 1pkp s ILE 94 Cb -0.09 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.33 1pkp s ILE 94 CO -0.14 0.04 0.29 -0.63 -1.91 0.00 0.00 174.94 172.59 1pkp s ILE 95 N 0.57 5.28 -0.09 2.00 1.01 0.01 -0.62 121.20 129.36 1pkp s ILE 95 Ca -0.04 0.54 0.04 0.00 0.00 0.00 0.00 60.65 61.19 1pkp s ILE 95 Cb -0.06 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.81 1pkp s ILE 95 CO -0.02 0.50 -0.24 -0.76 0.00 0.00 0.00 174.94 174.42 1pkp s LEU 96 N -0.35 2.07 0.02 2.97 1.43 -0.57 0.04 118.68 124.30 1pkp s LEU 96 Ca 0.18 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1pkp s LEU 96 Cb -0.14 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1pkp s LEU 96 CO 0.07 0.18 -0.10 -0.54 0.23 0.00 0.00 176.35 176.18 1pkp s LYS 97 N 0.22 0.70 0.44 1.70 1.02 0.15 -2.09 119.74 121.89 1pkp s LYS 97 Ca -0.15 -0.58 -0.24 0.00 0.02 0.00 0.00 55.97 55.02 1pkp s LYS 97 Cb -0.17 -0.64 -0.10 0.00 -0.52 0.00 0.00 37.83 36.40 1pkp s LYS 97 CO 0.08 0.16 1.05 -2.30 -0.92 0.00 0.00 175.35 173.41 1pkp n PRO 98 N 2.14 1.40 -4.09 -1.68 -0.02 -1.26 -1.52 135.00 129.97 1pkp n PRO 98 Ca -0.17 0.51 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 1pkp n PRO 98 Cb 0.56 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 1pkp n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pkp s ALA 99 N -1.29 0.64 0.54 3.55 0.00 -1.26 -4.61 121.76 119.33 1pkp s ALA 99 Ca 0.64 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1pkp s ALA 99 Cb -0.53 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1pkp s ALA 99 CO 0.56 -0.16 1.00 -1.54 0.00 0.00 0.00 175.76 175.62 1pkp s SER 100 N -2.25 6.44 -0.02 0.00 1.04 -1.26 -4.72 113.70 112.93 1pkp s SER 100 Ca -0.01 1.60 -0.36 0.00 0.48 0.00 0.00 55.95 57.65 1pkp s SER 100 Cb -0.02 -2.51 -0.15 0.00 0.10 0.00 0.00 66.02 63.44 1pkp s SER 100 CO -0.03 -0.71 1.60 1.21 0.98 0.00 0.00 173.24 176.29 1pkp n GLU 101 N -1.77 1.57 0.00 4.02 0.00 -1.26 -1.30 120.64 121.91 1pkp n GLU 101 Ca 0.07 0.57 0.00 0.00 0.00 0.00 0.00 57.16 57.80 1pkp n GLU 101 Cb 0.54 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.69 1pkp n GLU 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pkp n GLY 102 N 3.50 2.32 0.10 8.31 0.00 -1.26 -5.01 105.19 113.16 1pkp n GLY 102 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1pkp n GLY 102 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pkp h THR 103 N 0.00 1.01 0.00 2.61 2.02 -1.53 -3.50 112.91 113.51 1pkp h THR 103 Ca 0.00 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1pkp h THR 103 Cb 0.00 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1pkp h THR 103 CO 0.00 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1pkp n GLY 104 N -0.54 1.51 3.41 2.16 0.00 -1.24 -4.81 105.19 105.68 1pkp n GLY 104 Ca -0.08 -2.08 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 1pkp n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkp s VAL 105 N -1.80 4.68 -0.81 1.61 1.01 -1.19 -0.68 120.40 123.22 1pkp s VAL 105 Ca 0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1pkp s VAL 105 Cb 0.00 -4.59 0.11 0.00 0.00 0.00 0.00 36.38 31.90 1pkp s VAL 105 CO 0.00 -1.27 1.03 -0.63 0.00 0.00 0.00 175.10 174.22 1pkp s ILE 106 N 3.03 4.61 0.14 2.22 -1.09 -0.45 -4.94 121.20 124.72 1pkp s ILE 106 Ca 0.17 -1.12 -0.22 0.00 -2.23 0.00 0.00 60.65 57.25 1pkp s ILE 106 Cb -0.19 -4.72 0.06 0.00 -1.58 0.00 0.00 42.46 36.03 1pkp s ILE 106 CO 0.05 -1.45 0.57 0.00 -1.23 0.00 0.00 174.94 172.88 1pkp s ALA 107 N 3.13 -1.48 0.57 9.38 0.00 -1.26 -2.34 121.76 129.76 1pkp s ALA 107 Ca 0.27 0.44 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 1pkp s ALA 107 Cb -0.11 0.80 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1pkp s ALA 107 CO -0.01 -0.72 1.08 0.20 0.00 0.00 0.00 175.76 176.31 1pkp s GLY 108 N -2.67 2.35 0.31 0.00 0.00 -1.26 -4.62 107.32 101.44 1pkp s GLY 108 Ca 0.01 0.59 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1pkp s GLY 108 CO -0.12 0.92 1.59 -1.33 0.00 0.00 0.00 173.10 174.17 1pkp h GLY 109 N 0.81 1.39 1.39 0.20 0.00 -1.99 0.28 103.07 105.14 1pkp h GLY 109 Ca -0.48 0.08 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 1pkp h GLY 109 CO 0.57 -0.52 -0.10 -2.55 0.00 0.00 0.00 176.54 173.93 1pkp h PRO 110 N 0.04 0.73 -0.15 4.80 0.11 -1.93 -1.70 132.00 133.90 1pkp h PRO 110 Ca 0.62 -0.23 -0.17 0.00 0.11 0.00 0.00 66.00 66.32 1pkp h PRO 110 Cb 1.33 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.38 1pkp h PRO 110 CO -0.85 0.81 -0.58 0.00 -0.21 0.00 0.00 178.00 177.17 1pkp h ALA 111 N 1.22 0.27 -0.79 -0.75 0.00 -1.42 -3.13 119.26 114.65 1pkp h ALA 111 Ca 0.12 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.56 1pkp h ALA 111 Cb 0.56 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1pkp h ALA 111 CO 0.03 0.51 0.52 -0.09 0.00 0.00 0.00 179.25 180.22 1pkp h ARG 112 N 0.33 0.84 -0.28 0.00 2.43 -0.82 -0.83 114.38 116.05 1pkp h ARG 112 Ca -0.03 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1pkp h ARG 112 Cb 1.21 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1pkp h ARG 112 CO 0.12 0.55 0.15 0.00 -1.51 0.00 0.00 179.97 179.28 1pkp h ALA 113 N 1.57 0.34 0.15 2.80 0.00 -1.29 -0.24 119.26 122.60 1pkp h ALA 113 Ca 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1pkp h ALA 113 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pkp h ALA 113 CO -0.12 -0.24 -0.07 0.28 0.00 0.00 0.00 179.25 179.10 1pkp h VAL 114 N 0.31 0.98 -0.41 0.00 2.07 -1.36 -1.78 116.25 116.05 1pkp h VAL 114 Ca 0.11 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1pkp h VAL 114 Cb 0.02 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1pkp h VAL 114 CO -0.07 0.15 0.25 -0.07 0.02 0.00 0.00 177.57 177.86 1pkp h LEU 115 N -0.53 0.42 -0.31 2.57 4.07 -1.01 -1.83 115.31 118.68 1pkp h LEU 115 Ca -0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1pkp h LEU 115 Cb 0.41 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1pkp h LEU 115 CO 0.03 0.30 0.15 -0.33 -1.08 0.00 0.00 178.44 177.51 1pkp h GLU 116 N 0.51 0.46 0.00 1.13 5.08 -1.08 -1.48 114.58 119.19 1pkp h GLU 116 Ca 0.16 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1pkp h GLU 116 Cb -0.01 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1pkp h GLU 116 CO -0.06 0.44 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.15 1pkp h LEU 117 N 0.37 0.00 -0.99 1.33 3.38 -0.94 0.52 115.31 118.98 1pkp h LEU 117 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1pkp h LEU 117 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pkp h LEU 117 CO -0.01 0.17 -0.35 0.00 0.09 0.00 0.00 178.44 178.33 1pkp h ALA 118 N 1.83 1.02 0.00 1.53 0.00 -1.01 -0.73 119.26 121.90 1pkp h ALA 118 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pkp h ALA 118 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pkp h ALA 118 CO 0.02 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1pkp n GLY 119 N 0.18 1.31 3.85 0.00 0.00 0.17 0.09 105.19 110.79 1pkp n GLY 119 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1pkp n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkp s ILE 120 N -2.00 5.13 0.00 -0.61 1.01 -0.60 -4.88 121.20 119.25 1pkp s ILE 120 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1pkp s ILE 120 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1pkp s ILE 120 CO 0.00 0.51 0.00 -1.20 0.00 0.00 0.00 174.94 174.25 1pkp n SER 121 N 1.62 3.05 -3.87 3.58 7.64 0.19 -4.21 113.62 121.61 1pkp n SER 121 Ca -0.13 -0.09 -0.26 0.00 1.01 0.00 0.00 58.87 59.39 1pkp n SER 121 Cb 0.53 0.80 -0.17 0.00 -1.01 0.00 0.00 64.21 64.36 1pkp n SER 121 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1pkp s ASP 122 N -1.41 2.02 -0.14 6.43 1.01 -0.76 -3.13 116.67 120.68 1pkp s ASP 122 Ca 0.00 -0.24 -0.29 0.00 0.71 0.00 0.00 52.55 52.72 1pkp s ASP 122 Cb 0.00 -0.73 0.10 0.00 1.01 0.00 0.00 42.92 43.30 1pkp s ASP 122 CO 0.00 -0.14 0.87 -0.51 0.21 0.00 0.00 175.17 175.61 1pkp s ILE 123 N 1.77 0.00 -0.15 0.77 2.07 0.14 -4.12 121.20 121.68 1pkp s ILE 123 Ca 0.05 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.26 1pkp s ILE 123 Cb -0.12 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 1pkp s ILE 123 CO -0.07 0.00 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.15 1pkp s LEU 124 N -0.87 3.22 0.05 8.50 1.43 -0.58 -1.34 118.68 129.11 1pkp s LEU 124 Ca -0.04 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 52.99 1pkp s LEU 124 Cb -0.01 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1pkp s LEU 124 CO 0.04 0.18 -0.17 -0.94 0.23 0.00 0.00 176.35 175.69 1pkp s SER 125 N 0.27 2.08 -0.14 2.29 1.04 -0.99 0.32 113.70 118.57 1pkp s SER 125 Ca -0.03 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 55.85 1pkp s SER 125 Cb -0.14 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 65.88 1pkp s SER 125 CO 0.03 0.07 -0.04 -0.75 0.98 0.00 0.00 173.24 173.53 1pkp s LYS 126 N -1.34 1.20 0.00 4.02 2.20 0.11 -4.80 119.74 121.13 1pkp s LYS 126 Ca 0.04 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 1pkp s LYS 126 Cb -0.09 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.48 1pkp s LYS 126 CO 0.02 -0.39 1.10 0.45 -0.36 0.00 0.00 175.35 176.17 1pkp s SER 127 N 1.74 7.19 -0.02 1.43 0.15 -1.26 -0.81 113.70 122.13 1pkp s SER 127 Ca 0.02 1.80 0.03 0.00 0.70 0.00 0.00 55.95 58.50 1pkp s SER 127 Cb -0.14 -2.57 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 1pkp s SER 127 CO -0.07 -0.42 1.02 -0.38 1.20 0.00 0.00 173.24 174.60 1pkp n ILE 128 N 4.11 1.12 -1.40 6.45 2.08 0.16 -4.99 119.36 126.89 1pkp n ILE 128 Ca 0.08 -1.17 0.00 0.00 0.56 0.00 0.00 62.75 62.22 1pkp n ILE 128 Cb 0.48 0.40 0.00 0.00 -0.75 0.00 0.00 39.64 39.77 1pkp n ILE 128 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pkp n GLY 129 N -0.62 4.24 3.67 7.39 0.00 -1.17 -4.74 105.19 113.96 1pkp n GLY 129 Ca 0.02 -0.74 -0.46 0.00 0.00 0.00 0.00 46.02 44.84 1pkp n GLY 129 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pkp n SER 130 N 0.00 3.06 -1.12 1.61 2.88 0.50 -4.87 113.62 115.68 1pkp n SER 130 Ca 0.00 1.08 0.07 0.00 -1.33 0.00 0.00 58.87 58.69 1pkp n SER 130 Cb 0.00 -1.41 0.25 0.00 -0.75 0.00 0.00 64.21 62.29 1pkp n SER 130 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pkp n ASN 131 N 3.62 3.25 -4.80 -3.46 3.02 -1.26 -4.18 115.26 111.45 1pkp n ASN 131 Ca 0.17 -2.21 -0.31 0.00 -0.03 0.00 0.00 54.58 52.21 1pkp n ASN 131 Cb 0.28 -0.44 0.06 0.00 -0.61 0.00 0.00 39.78 39.07 1pkp n ASN 131 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pkp s THR 132 N -1.60 3.81 0.13 3.41 -4.23 -1.26 -4.78 115.64 111.11 1pkp s THR 132 Ca 0.36 0.62 -0.20 0.00 -1.18 0.00 0.00 61.69 61.28 1pkp s THR 132 Cb 0.21 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 1pkp s THR 132 CO 0.19 -0.74 1.71 -0.65 -0.54 0.00 0.00 174.62 174.60 1pkp h PRO 133 N -0.70 0.03 -0.64 3.99 0.11 -1.94 -1.36 132.00 131.50 1pkp h PRO 133 Ca -0.44 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1pkp h PRO 133 Cb 1.22 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1pkp h PRO 133 CO 0.55 0.02 0.41 0.82 -0.21 0.00 0.00 178.00 179.59 1pkp h ILE 134 N 0.03 1.12 -0.21 4.15 1.08 -1.97 -0.42 117.51 121.30 1pkp h ILE 134 Ca 0.09 -0.28 -0.07 0.00 -0.39 0.00 0.00 64.86 64.21 1pkp h ILE 134 Cb 0.12 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 34.10 1pkp h ILE 134 CO -0.17 0.15 -0.13 0.78 -0.69 0.00 0.00 178.15 178.09 1pkp h ASN 135 N 0.82 0.47 -0.57 1.72 2.35 -1.75 -2.16 115.58 116.46 1pkp h ASN 135 Ca 0.25 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1pkp h ASN 135 Cb -0.04 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1pkp h ASN 135 CO -0.08 0.80 0.38 0.24 -1.65 0.00 0.00 177.43 177.12 1pkp h MET 136 N 0.15 0.75 -0.11 0.81 2.86 -0.92 -1.23 114.93 117.23 1pkp h MET 136 Ca 0.04 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1pkp h MET 136 Cb 0.63 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1pkp h MET 136 CO 0.04 0.49 0.02 0.28 1.06 0.00 0.00 176.91 178.80 1pkp h VAL 137 N 0.77 1.21 -0.16 -2.22 2.07 -1.02 -0.74 116.25 116.15 1pkp h VAL 137 Ca 0.21 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 1pkp h VAL 137 Cb -0.09 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1pkp h VAL 137 CO -0.04 0.19 -0.40 0.03 0.02 0.00 0.00 177.57 177.36 1pkp h ARG 138 N -0.03 0.36 -0.09 1.57 3.08 -1.33 -1.11 114.38 116.84 1pkp h ARG 138 Ca 0.04 -0.18 -0.22 0.00 0.07 0.00 0.00 59.98 59.69 1pkp h ARG 138 Cb 0.27 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pkp h ARG 138 CO 0.00 0.71 -0.80 0.00 -1.07 0.00 0.00 179.97 178.81 1pkp h ALA 139 N 1.27 0.23 -0.24 0.04 0.00 -1.14 -2.34 119.26 117.07 1pkp h ALA 139 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1pkp h ALA 139 Cb 0.84 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1pkp h ALA 139 CO 0.07 0.62 0.16 1.15 0.00 0.00 0.00 179.25 181.24 1pkp h THR 140 N 0.40 1.06 -0.46 0.00 2.02 -1.07 -1.93 112.91 112.93 1pkp h THR 140 Ca -0.07 -0.11 0.09 0.00 0.77 0.00 0.00 66.41 67.09 1pkp h THR 140 Cb 1.45 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 68.47 1pkp h THR 140 CO 0.16 0.06 -0.29 0.15 0.37 0.00 0.00 175.52 175.98 1pkp h PHE 141 N 0.32 -0.77 -0.84 3.16 3.57 -1.24 -0.98 116.94 120.17 1pkp h PHE 141 Ca 0.09 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.77 1pkp h PHE 141 Cb -0.03 0.41 -0.09 0.00 2.79 0.00 0.00 35.95 39.03 1pkp h PHE 141 CO -0.06 -0.35 0.45 0.22 -2.23 0.00 0.00 178.31 176.33 1pkp h ASP 142 N -0.18 0.58 -0.37 0.41 3.58 -0.88 0.00 116.42 119.55 1pkp h ASP 142 Ca 0.20 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 1pkp h ASP 142 Cb 0.52 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1pkp h ASP 142 CO -0.57 0.28 0.18 1.23 -2.88 0.00 0.00 179.24 177.49 1pkp h GLY 143 N 0.68 0.57 0.99 -0.78 0.00 -0.60 -2.99 103.07 100.94 1pkp h GLY 143 Ca 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1pkp h GLY 143 CO -0.32 0.27 0.33 1.41 0.00 0.00 0.00 176.54 178.23 1pkp h LEU 144 N 0.47 0.75 -2.60 3.11 3.38 0.11 -2.02 115.31 118.50 1pkp h LEU 144 Ca 0.13 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1pkp h LEU 144 Cb 0.11 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1pkp h LEU 144 CO -0.02 0.62 -0.01 0.11 0.09 0.00 0.00 178.44 179.23 1pkp h LYS 145 N 0.81 0.00 0.00 1.13 1.57 -1.00 -2.00 116.57 117.08 1pkp h LYS 145 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1pkp h LYS 145 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1pkp h LYS 145 CO -0.03 0.01 -0.41 1.96 -0.57 0.00 0.00 179.45 180.40 1pkp h GLN 146 N 0.00 0.00 -7.07 3.15 4.20 -1.22 -3.47 115.11 110.70 1pkp h GLN 146 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1pkp h GLN 146 Cb 0.11 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.03 1pkp h GLN 146 CO 0.00 0.00 0.58 1.28 -0.67 0.00 0.00 178.83 180.02 1pkp n LEU 147 N -2.41 5.76 0.00 1.46 4.32 -0.75 -5.11 117.00 120.26 1pkp n LEU 147 Ca 0.03 0.93 0.00 0.00 -0.02 0.00 0.00 56.01 56.95 1pkp n LEU 147 Cb 0.47 -1.57 0.00 0.00 -1.62 0.00 0.00 43.42 40.70 1pkp n LEU 147 CO 0.35 -0.71 0.23 0.29 -1.22 0.00 0.00 177.39 176.32