#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pum n ASP 2 N 0.00 -1.55 -4.69 1.67 4.64 -1.26 -5.12 116.55 110.24 1pum n ASP 2 Ca 0.00 -2.68 -0.42 0.00 -1.38 0.00 0.00 54.79 50.31 1pum n ASP 2 Cb 0.00 0.38 -0.03 0.00 -1.04 0.00 0.00 41.12 40.43 1pum n ASP 2 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1pum s VAL 3 N 0.19 3.33 0.04 5.18 1.01 -1.26 -5.00 120.40 123.89 1pum s VAL 3 Ca 0.32 0.78 -0.09 0.00 0.00 0.00 0.00 61.98 62.99 1pum s VAL 3 Cb 0.07 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1pum s VAL 3 CO -0.15 0.00 0.18 0.42 0.00 0.00 0.00 175.10 175.56 1pum s THR 4 N 2.36 0.11 -0.34 3.92 -4.23 -1.26 -5.06 115.64 111.14 1pum s THR 4 Ca 0.69 -0.89 0.15 0.00 -1.18 0.00 0.00 61.69 60.46 1pum s THR 4 Cb -0.36 -0.87 0.44 0.00 1.34 0.00 0.00 72.50 73.05 1pum s THR 4 CO 0.30 -0.49 1.19 0.00 -0.54 0.00 0.00 174.62 175.08 1pum s SER 6 N -2.31 7.36 0.00 0.00 0.15 -1.26 -4.94 113.70 112.71 1pum s SER 6 Ca 0.23 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.72 1pum s SER 6 Cb 0.42 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1pum s SER 6 CO -0.04 -0.04 0.09 0.00 1.20 0.00 0.00 173.24 174.45 1pum n ALA 7 N 0.66 0.23 -2.25 5.45 0.00 -1.26 -5.12 120.51 118.22 1pum n ALA 7 Ca 0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 1pum n ALA 7 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1pum n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pum s SER 8 N 0.00 4.96 -0.43 0.00 0.15 -1.26 -5.09 113.70 112.03 1pum s SER 8 Ca 0.00 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 55.84 1pum s SER 8 Cb 0.00 -0.40 0.13 0.00 -1.71 0.00 0.00 66.02 64.03 1pum s SER 8 CO 0.00 -0.73 0.21 -1.61 1.20 0.00 0.00 173.24 172.31 1pum s GLU 9 N -4.16 1.36 0.57 5.44 2.02 -1.26 -4.85 118.70 117.82 1pum s GLU 9 Ca 0.46 -2.01 -0.19 0.00 0.02 0.00 0.00 54.97 53.26 1pum s GLU 9 Cb -0.03 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 1pum s GLU 9 CO 0.27 -1.12 1.16 -1.25 0.02 0.00 0.00 175.26 174.34 1pum s PRO 10 N 0.41 3.16 -0.24 0.39 0.04 -1.26 -4.71 135.00 132.79 1pum s PRO 10 Ca 0.16 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1pum s PRO 10 Cb -0.24 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1pum s PRO 10 CO -0.03 -1.02 -0.10 0.42 0.04 0.00 0.00 177.00 176.31 1pum s ILE 11 N -1.72 2.48 0.17 0.56 1.09 -1.26 -0.82 121.20 121.70 1pum s ILE 11 Ca 0.74 -1.26 -0.04 0.00 -1.10 0.00 0.00 60.65 59.00 1pum s ILE 11 Cb -0.26 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.80 1pum s ILE 11 CO 0.30 0.15 0.16 0.68 -0.10 0.00 0.00 174.94 176.14 1pum s VAL 12 N 1.23 0.05 0.68 2.92 -7.23 0.55 -4.80 120.40 113.80 1pum s VAL 12 Ca -0.03 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.24 1pum s VAL 12 Cb -0.17 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.59 1pum s VAL 12 CO -0.06 -0.24 1.06 -0.13 -0.31 0.00 0.00 175.10 175.43 1pum s ARG 13 N -4.07 3.11 -0.15 4.82 0.52 -1.24 -0.26 118.95 121.69 1pum s ARG 13 Ca 0.27 0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 56.13 1pum s ARG 13 Cb 0.06 -2.03 0.04 0.00 0.52 0.00 0.00 34.95 33.53 1pum s ARG 13 CO 0.05 -0.90 -0.05 0.42 0.02 0.00 0.00 175.30 174.85 1pum s ILE 14 N -3.23 1.00 0.05 1.52 1.01 -1.26 -0.37 121.20 119.92 1pum s ILE 14 Ca 0.57 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1pum s ILE 14 Cb -0.12 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1pum s ILE 14 CO 0.53 0.18 0.11 0.54 0.00 0.00 0.00 174.94 176.31 1pum s VAL 15 N 1.69 4.83 0.00 2.92 0.11 -0.43 -0.87 120.40 128.65 1pum s VAL 15 Ca 0.02 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1pum s VAL 15 Cb -0.14 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1pum s VAL 15 CO -0.08 0.21 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1pum n GLY 16 N 0.66 4.72 2.37 6.54 0.00 0.17 -0.40 105.19 119.25 1pum n GLY 16 Ca -0.09 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1pum n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pum n ARG 17 N 0.00 0.00 -1.52 1.61 0.63 -1.25 0.68 116.66 116.82 1pum n ARG 17 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1pum n ARG 17 Cb 0.00 -0.97 -0.08 0.00 0.45 0.00 0.00 32.46 31.86 1pum n ARG 17 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1pum n ASN 18 N 2.02 -5.53 -0.00 6.15 5.03 -1.26 -2.32 115.26 119.35 1pum n ASN 18 Ca 0.18 0.45 -0.00 0.00 0.87 0.00 0.00 54.58 56.07 1pum n ASN 18 Cb -0.01 -4.65 -0.00 0.00 -1.02 0.00 0.00 39.78 34.10 1pum n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pum n GLY 19 N -0.20 0.43 3.95 7.41 0.00 0.22 -5.05 105.19 111.95 1pum n GLY 19 Ca -0.18 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1pum n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pum s MET 20 N -1.18 3.21 0.31 1.61 -1.94 -0.98 -4.73 119.30 115.59 1pum s MET 20 Ca 0.00 -0.49 0.08 0.00 -1.71 0.00 0.00 55.69 53.56 1pum s MET 20 Cb 0.00 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1pum s MET 20 CO 0.00 -0.09 0.22 0.95 -0.01 0.00 0.00 175.02 176.09 1pum s THR 21 N -2.43 3.74 -0.09 2.05 -4.23 0.13 0.44 115.64 115.25 1pum s THR 21 Ca 0.45 -1.46 -0.30 0.00 -1.18 0.00 0.00 61.69 59.20 1pum s THR 21 Cb -0.10 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 1pum s THR 21 CO 0.37 -0.24 1.29 -0.69 -0.54 0.00 0.00 174.62 174.81 1pum s VAL 22 N -2.27 4.12 -0.03 2.29 1.01 -0.05 -1.31 120.40 124.16 1pum s VAL 22 Ca 0.37 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.78 1pum s VAL 22 Cb -0.06 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.43 1pum s VAL 22 CO 0.25 -0.06 -0.03 -0.62 0.00 0.00 0.00 175.10 174.64 1pum s ASP 23 N 1.88 0.68 -0.43 3.32 -1.08 -0.00 -4.51 116.67 116.52 1pum s ASP 23 Ca 0.58 -0.09 -0.28 0.00 -0.52 0.00 0.00 52.55 52.25 1pum s ASP 23 Cb -0.25 -0.28 0.02 0.00 -1.46 0.00 0.00 42.92 40.95 1pum s ASP 23 CO 0.20 -0.04 1.06 -0.69 0.52 0.00 0.00 175.17 176.23 1pum s VAL 24 N 0.70 4.36 0.04 1.11 1.01 -0.75 -0.38 120.40 126.48 1pum s VAL 24 Ca -0.08 1.24 -0.37 0.00 0.00 0.00 0.00 61.98 62.77 1pum s VAL 24 Cb -0.11 -4.50 -0.17 0.00 0.00 0.00 0.00 36.38 31.60 1pum s VAL 24 CO -0.00 -0.81 1.38 -1.14 0.00 0.00 0.00 175.10 174.52 1pum n ARG 25 N 7.40 1.13 -1.61 2.72 0.63 -1.08 -1.90 116.66 123.95 1pum n ARG 25 Ca 0.10 0.41 -0.19 0.00 -0.92 0.00 0.00 57.85 57.25 1pum n ARG 25 Cb 0.48 -2.06 -0.08 0.00 0.45 0.00 0.00 32.46 31.26 1pum n ARG 25 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1pum n ASP 26 N 2.84 -5.00 -1.72 6.15 2.03 -1.26 -1.43 116.55 118.16 1pum n ASP 26 Ca 0.19 0.44 -0.19 0.00 0.52 0.00 0.00 54.79 55.75 1pum n ASP 26 Cb 0.18 -4.44 -0.06 0.00 -0.72 0.00 0.00 41.12 36.08 1pum n ASP 26 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1pum n ASP 27 N -1.20 -5.42 -4.49 1.67 8.00 -0.80 -4.93 116.55 109.38 1pum n ASP 27 Ca -0.19 0.33 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 1pum n ASP 27 Cb 0.62 -4.58 -0.07 0.00 -0.02 0.00 0.00 41.12 37.07 1pum n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pum s ASP 28 N -2.59 6.25 -0.00 -2.24 -1.08 -0.51 -4.93 116.67 111.56 1pum s ASP 28 Ca 0.00 -0.59 0.17 0.00 -0.52 0.00 0.00 52.55 51.61 1pum s ASP 28 Cb 0.00 -2.28 0.51 0.00 -1.46 0.00 0.00 42.92 39.69 1pum s ASP 28 CO 0.00 -0.72 1.42 0.49 0.52 0.00 0.00 175.17 176.88 1pum n PHE 29 N 5.98 0.78 -1.84 -5.34 3.72 -1.26 -4.71 117.46 114.79 1pum n PHE 29 Ca -0.05 -0.39 -0.42 0.00 -0.05 0.00 0.00 57.45 56.55 1pum n PHE 29 Cb 0.47 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1pum n PHE 29 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1pum s GLN 30 N -1.26 4.16 0.21 -1.08 -1.52 -1.26 -4.86 119.66 114.05 1pum s GLN 30 Ca 0.38 2.50 -0.31 0.00 -1.95 0.00 0.00 55.36 55.99 1pum s GLN 30 Cb 0.20 -3.05 -0.15 0.00 -0.22 0.00 0.00 33.01 29.78 1pum s GLN 30 CO 0.26 -0.59 1.03 -0.25 -0.25 0.00 0.00 175.29 175.49 1pum n ASP 31 N 2.42 0.97 0.00 5.90 8.00 -1.26 -1.89 116.55 130.69 1pum n ASP 31 Ca 0.09 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.74 1pum n ASP 31 Cb 0.38 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 1pum n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pum n GLY 32 N 1.73 3.20 3.75 0.44 0.00 -0.48 -5.02 105.19 108.82 1pum n GLY 32 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1pum n GLY 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pum s ASN 33 N -1.10 5.30 0.46 1.61 2.47 -0.79 -4.72 114.94 118.17 1pum s ASN 33 Ca 0.00 2.68 -0.20 0.00 0.42 0.00 0.00 52.86 55.76 1pum s ASN 33 Cb 0.00 -2.63 -0.10 0.00 -1.45 0.00 0.00 41.25 37.08 1pum s ASN 33 CO 0.00 -1.54 0.98 -1.10 -3.72 0.00 0.00 177.10 171.72 1pum s GLN 34 N -2.96 4.03 -0.08 0.43 -0.21 -1.26 -1.26 119.66 118.35 1pum s GLN 34 Ca 0.72 1.17 -0.07 0.00 0.02 0.00 0.00 55.36 57.20 1pum s GLN 34 Cb -0.38 -2.14 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 1pum s GLN 34 CO 0.45 -0.21 0.19 0.42 -2.12 0.00 0.00 175.29 174.02 1pum s ILE 35 N -2.19 5.42 0.31 1.08 -1.09 -0.69 -2.64 121.20 121.40 1pum s ILE 35 Ca 0.63 0.25 0.05 0.00 -2.23 0.00 0.00 60.65 59.35 1pum s ILE 35 Cb -0.11 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 1pum s ILE 35 CO 0.18 0.55 0.22 0.00 -1.23 0.00 0.00 174.94 174.67 1pum s GLN 36 N -1.22 1.67 -0.17 2.79 -2.07 0.49 -0.71 119.66 120.44 1pum s GLN 36 Ca 0.19 -1.96 -0.15 0.00 -1.82 0.00 0.00 55.36 51.62 1pum s GLN 36 Cb -0.13 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 31.89 1pum s GLN 36 CO 0.08 -0.56 0.33 -1.17 -1.32 0.00 0.00 175.29 172.65 1pum s LEU 37 N -3.37 4.23 -0.04 2.60 2.96 -0.02 -0.82 118.68 124.21 1pum s LEU 37 Ca 0.38 0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 54.58 1pum s LEU 37 Cb 0.03 -2.42 0.05 0.00 0.50 0.00 0.00 46.19 44.35 1pum s LEU 37 CO 0.22 0.06 0.51 0.86 -1.32 0.00 0.00 176.35 176.67 1pum s TRP 38 N 0.66 -0.44 0.41 5.38 -0.11 -0.43 -0.42 118.94 123.99 1pum s TRP 38 Ca 0.18 0.76 -0.26 0.00 1.22 0.00 0.00 56.10 58.00 1pum s TRP 38 Cb -0.13 0.26 -0.09 0.00 -1.50 0.00 0.00 33.47 32.01 1pum s TRP 38 CO 0.05 -0.49 1.33 -2.14 -4.62 0.00 0.00 176.95 171.08 1pum s PRO 39 N -1.16 3.91 0.40 5.86 0.02 -1.26 0.21 135.00 142.98 1pum s PRO 39 Ca -0.11 2.22 -0.27 0.00 0.02 0.00 0.00 61.00 62.85 1pum s PRO 39 Cb -0.03 -2.74 -0.10 0.00 0.02 0.00 0.00 34.50 31.66 1pum s PRO 39 CO 0.07 -0.56 1.46 0.45 -0.33 0.00 0.00 177.00 178.09 1pum s SER 40 N -0.68 6.17 0.00 2.53 0.15 -1.26 -4.81 113.70 115.80 1pum s SER 40 Ca 0.58 3.00 0.24 0.00 0.70 0.00 0.00 55.95 60.46 1pum s SER 40 Cb -0.39 -2.66 0.23 0.00 -1.71 0.00 0.00 66.02 61.48 1pum s SER 40 CO 0.51 -0.98 1.23 0.29 1.20 0.00 0.00 173.24 175.48 1pum n LYS 41 N 0.22 0.81 -4.06 5.44 5.02 -1.26 -4.97 118.16 119.36 1pum n LYS 41 Ca 0.02 -0.61 -0.30 0.00 -2.02 0.00 0.00 58.31 55.41 1pum n LYS 41 Cb 0.40 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1pum n LYS 41 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pum n SER 42 N -0.56 -1.70 -0.65 4.39 7.64 -1.26 -4.94 113.62 116.53 1pum n SER 42 Ca 0.09 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1pum n SER 42 Cb 0.40 -2.98 0.00 0.00 -1.01 0.00 0.00 64.21 60.62 1pum n SER 42 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pum n ASN 43 N -2.85 0.21 -1.22 6.43 0.23 -1.26 -5.05 115.26 111.74 1pum n ASN 43 Ca -0.15 -0.59 0.09 0.00 -0.53 0.00 0.00 54.58 53.41 1pum n ASN 43 Cb 0.60 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.59 1pum n ASN 43 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1pum n ASN 44 N -1.64 3.57 -4.69 0.53 4.13 -1.26 -4.94 115.26 110.96 1pum n ASN 44 Ca 0.00 -2.15 -0.44 0.00 1.68 0.00 0.00 54.58 53.67 1pum n ASN 44 Cb 0.00 -0.46 -0.04 0.00 -1.54 0.00 0.00 39.78 37.75 1pum n ASN 44 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1pum n ASP 45 N 1.13 3.70 0.27 6.41 10.43 -1.26 -4.85 116.55 132.37 1pum n ASP 45 Ca 0.21 1.04 0.14 0.00 2.57 0.00 0.00 54.79 58.75 1pum n ASP 45 Cb 0.61 -1.51 0.78 0.00 1.84 0.00 0.00 41.12 42.85 1pum n ASP 45 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 1pum h PRO 46 N 7.11 0.00 0.00 -0.24 0.13 -1.92 -3.14 132.00 133.94 1pum h PRO 46 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1pum h PRO 46 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pum h PRO 46 CO 0.93 0.09 0.00 0.27 -0.23 0.00 0.00 178.00 179.06 1pum n ASN 47 N -3.56 0.00 -0.13 1.44 2.04 -1.26 -1.39 115.26 112.40 1pum n ASN 47 Ca -0.02 0.22 0.01 0.00 -0.44 0.00 0.00 54.58 54.35 1pum n ASN 47 Cb 0.22 -0.32 0.03 0.00 -2.53 0.00 0.00 39.78 37.17 1pum n ASN 47 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pum n GLN 48 N -1.32 1.74 -4.64 -3.83 6.02 -1.19 -1.82 117.38 112.35 1pum n GLN 48 Ca 0.04 -1.29 -0.33 0.00 -0.01 0.00 0.00 57.00 55.40 1pum n GLN 48 Cb 0.08 -1.06 -0.13 0.00 1.02 0.00 0.00 30.24 30.15 1pum n GLN 48 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1pum s LEU 49 N -0.73 2.94 -0.08 1.08 1.02 -0.49 -4.11 118.68 118.31 1pum s LEU 49 Ca 0.04 -0.23 0.02 0.00 0.02 0.00 0.00 54.13 53.98 1pum s LEU 49 Cb 0.03 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.57 1pum s LEU 49 CO 0.03 0.19 -0.11 0.26 0.02 0.00 0.00 176.35 176.74 1pum s TRP 50 N 0.24 1.50 -0.28 0.29 0.52 0.64 -4.25 118.94 117.60 1pum s TRP 50 Ca -0.06 -0.61 -0.21 0.00 0.02 0.00 0.00 56.10 55.23 1pum s TRP 50 Cb -0.15 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.03 1pum s TRP 50 CO 0.04 -0.34 0.67 0.99 0.02 0.00 0.00 176.95 178.34 1pum s THR 51 N 0.90 4.92 -0.73 2.01 2.01 0.11 -0.33 115.64 124.53 1pum s THR 51 Ca -0.10 1.09 -0.25 0.00 0.31 0.00 0.00 61.69 62.74 1pum s THR 51 Cb -0.15 -4.01 0.05 0.00 0.01 0.00 0.00 72.50 68.40 1pum s THR 51 CO 0.01 -0.08 1.17 -0.63 -0.69 0.00 0.00 174.62 174.39 1pum s ILE 52 N 2.65 4.00 0.61 1.82 1.09 0.00 -1.67 121.20 129.69 1pum s ILE 52 Ca 0.28 -0.03 -0.08 0.00 -1.10 0.00 0.00 60.65 59.71 1pum s ILE 52 Cb -0.15 -4.84 -0.01 0.00 -1.06 0.00 0.00 42.46 36.40 1pum s ILE 52 CO 0.10 -1.70 0.96 -0.54 -0.10 0.00 0.00 174.94 173.66 1pum s LYS 53 N 4.95 3.18 0.30 2.79 1.02 -0.83 -4.09 119.74 127.05 1pum s LYS 53 Ca 0.31 0.34 0.09 0.00 0.02 0.00 0.00 55.97 56.73 1pum s LYS 53 Cb -0.11 -2.18 0.45 0.00 -0.52 0.00 0.00 37.83 35.47 1pum s LYS 53 CO 0.11 -0.66 1.67 0.87 -0.92 0.00 0.00 175.35 176.42 1pum h LYS 54 N -0.26 0.08 0.00 1.68 1.57 -1.89 -2.90 116.57 114.86 1pum h LYS 54 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1pum h LYS 54 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1pum h LYS 54 CO 0.62 0.58 0.00 -0.40 -0.57 0.00 0.00 179.45 179.68 1pum n ASP 55 N -3.93 0.00 0.00 0.86 5.68 -1.26 -4.86 116.55 113.04 1pum n ASP 55 Ca -0.02 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 1pum n ASP 55 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1pum n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pum n GLY 56 N 0.63 0.65 3.90 6.12 0.00 -1.09 -4.94 105.19 110.46 1pum n GLY 56 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1pum n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pum s THR 57 N -2.42 4.08 -0.21 2.61 -4.23 -1.26 -1.60 115.64 112.61 1pum s THR 57 Ca 0.00 0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1pum s THR 57 Cb 0.00 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.28 1pum s THR 57 CO 0.00 -0.69 -0.03 -0.63 -0.54 0.00 0.00 174.62 172.73 1pum s ILE 58 N -3.03 1.19 -0.02 2.99 1.01 -1.26 -1.97 121.20 120.11 1pum s ILE 58 Ca 0.53 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1pum s ILE 58 Cb -0.11 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 1pum s ILE 58 CO 0.48 -0.08 -0.11 -0.13 0.00 0.00 0.00 174.94 175.09 1pum s ARG 59 N 1.56 2.50 -0.11 2.79 0.52 -0.67 -1.00 118.95 124.54 1pum s ARG 59 Ca -0.03 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1pum s ARG 59 Cb -0.18 -2.43 0.02 0.00 0.52 0.00 0.00 34.95 32.88 1pum s ARG 59 CO -0.07 0.61 -0.13 0.45 0.02 0.00 0.00 175.30 176.18 1pum s SER 60 N -1.05 2.36 -1.31 0.23 0.15 0.10 0.05 113.70 114.24 1pum s SER 60 Ca 0.14 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.30 1pum s SER 60 Cb -0.11 -1.03 0.06 0.00 -1.71 0.00 0.00 66.02 63.23 1pum s SER 60 CO 0.03 -0.02 0.49 -3.20 1.20 0.00 0.00 173.24 171.74 1pum n ASN 61 N 4.38 -3.99 0.00 5.45 5.15 -1.26 -0.76 115.26 124.23 1pum n ASN 61 Ca -0.18 -0.36 0.00 0.00 -0.60 0.00 0.00 54.58 53.44 1pum n ASN 61 Cb 0.51 -3.29 0.00 0.00 -0.53 0.00 0.00 39.78 36.46 1pum n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pum n GLY 62 N -1.20 2.95 3.95 8.20 0.00 -1.26 -5.03 105.19 112.80 1pum n GLY 62 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1pum n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pum s SER 63 N -1.35 5.93 -0.12 1.61 0.01 0.06 -4.56 113.70 115.28 1pum s SER 63 Ca 0.00 0.30 -0.08 0.00 1.31 0.00 0.00 55.95 57.47 1pum s SER 63 Cb 0.00 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 1pum s SER 63 CO 0.00 -0.61 0.17 0.00 0.41 0.00 0.00 173.24 173.21 1pum s LEU 65 N -0.77 4.29 -0.03 0.00 2.96 -0.17 -1.30 118.68 123.66 1pum s LEU 65 Ca 0.15 2.16 0.02 0.00 -0.22 0.00 0.00 54.13 56.24 1pum s LEU 65 Cb -0.12 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.04 1pum s LEU 65 CO 0.04 -0.93 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.18 1pum s THR 66 N 4.06 0.67 0.24 3.68 2.01 0.23 -4.52 115.64 122.01 1pum s THR 66 Ca 0.72 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1pum s THR 66 Cb -0.32 -0.63 -0.09 0.00 0.01 0.00 0.00 72.50 71.47 1pum s THR 66 CO 0.28 0.23 0.92 0.28 -0.69 0.00 0.00 174.62 175.64 1pum s THR 67 N 0.45 4.12 0.27 -0.82 -1.32 -0.41 0.12 115.64 118.06 1pum s THR 67 Ca -0.07 2.02 0.16 0.00 -1.21 0.00 0.00 61.69 62.59 1pum s THR 67 Cb -0.10 -4.28 0.09 0.00 -1.51 0.00 0.00 72.50 66.70 1pum s THR 67 CO 0.01 0.47 1.75 0.22 -2.21 0.00 0.00 174.62 174.86 1pum h TYR 68 N 4.08 0.00 -0.76 9.09 3.20 -1.44 -3.46 116.97 127.68 1pum h TYR 68 Ca -0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.42 1pum h TYR 68 Cb 1.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1pum h TYR 68 CO 0.61 0.42 0.00 0.41 -1.64 0.00 0.00 178.16 177.96 1pum n GLY 69 N -0.03 2.58 1.08 1.82 0.00 -1.26 -5.03 105.19 104.34 1pum n GLY 69 Ca -0.01 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.32 1pum n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pum n TYR 70 N 0.00 0.38 -4.82 1.61 4.01 -1.26 -4.93 117.16 112.15 1pum n TYR 70 Ca 0.00 -1.39 -0.25 0.00 -0.16 0.00 0.00 57.90 56.11 1pum n TYR 70 Cb 0.00 -0.24 -0.15 0.00 -0.31 0.00 0.00 39.34 38.64 1pum n TYR 70 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1pum s THR 71 N -2.69 1.36 0.13 -0.72 2.01 -1.26 -4.92 115.64 109.56 1pum s THR 71 Ca 0.38 -0.73 -0.35 0.00 0.31 0.00 0.00 61.69 61.30 1pum s THR 71 Cb 0.38 -1.13 -0.15 0.00 0.01 0.00 0.00 72.50 71.61 1pum s THR 71 CO -0.08 0.39 1.51 0.00 -0.69 0.00 0.00 174.62 175.74 1pum n ALA 72 N 2.70 0.61 0.00 7.40 0.00 -1.26 -2.46 120.51 127.49 1pum n ALA 72 Ca -0.15 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1pum n ALA 72 Cb 0.54 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.72 1pum n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pum n GLY 73 N 3.15 0.46 3.84 0.00 0.00 0.28 -5.00 105.19 107.92 1pum n GLY 73 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1pum n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pum s VAL 74 N -2.07 4.53 0.68 1.61 -7.23 -1.03 -4.83 120.40 112.07 1pum s VAL 74 Ca 0.00 1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 61.29 1pum s VAL 74 Cb 0.00 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1pum s VAL 74 CO 0.00 -0.64 1.08 -0.72 -0.31 0.00 0.00 175.10 174.51 1pum s TYR 75 N -2.57 3.39 -0.06 2.82 1.13 -1.26 -2.07 117.35 118.73 1pum s TYR 75 Ca 0.59 1.10 -0.02 0.00 -1.41 0.00 0.00 57.07 57.32 1pum s TYR 75 Cb -0.10 -2.99 -0.04 0.00 -1.10 0.00 0.00 41.96 37.74 1pum s TYR 75 CO 0.29 -1.06 0.05 0.08 -2.51 0.00 0.00 175.55 172.40 1pum s VAL 76 N -3.31 4.63 0.32 -3.49 1.01 -0.39 -1.12 120.40 118.04 1pum s VAL 76 Ca 0.57 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1pum s VAL 76 Cb -0.11 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1pum s VAL 76 CO 0.52 0.52 0.20 0.00 0.00 0.00 0.00 175.10 176.34 1pum s MET 77 N -1.20 1.68 -0.04 2.72 0.23 0.33 -1.71 119.30 121.31 1pum s MET 77 Ca 0.17 -1.97 -0.08 0.00 -1.03 0.00 0.00 55.69 52.78 1pum s MET 77 Cb -0.12 0.04 -0.05 0.00 -1.53 0.00 0.00 34.83 33.18 1pum s MET 77 CO 0.06 -0.54 0.25 -1.50 -2.03 0.00 0.00 175.02 171.27 1pum s ILE 78 N -3.53 5.33 -0.12 3.16 1.10 -0.39 0.73 121.20 127.47 1pum s ILE 78 Ca 0.36 0.29 -0.29 0.00 -0.51 0.00 0.00 60.65 60.50 1pum s ILE 78 Cb 0.04 -3.54 0.08 0.00 0.15 0.00 0.00 42.46 39.19 1pum s ILE 78 CO 0.21 0.49 0.75 0.12 -2.11 0.00 0.00 174.94 174.39 1pum s PHE 79 N -1.17 -0.64 -0.24 3.50 5.36 -0.42 -1.38 117.98 123.00 1pum s PHE 79 Ca 0.23 1.24 -0.38 0.00 -0.96 0.00 0.00 56.93 57.05 1pum s PHE 79 Cb -0.13 0.38 -0.14 0.00 -0.34 0.00 0.00 43.02 42.79 1pum s PHE 79 CO 0.12 -0.51 1.81 -3.47 -1.46 0.00 0.00 175.22 171.71 1pum n ASP 80 N 1.33 2.67 0.25 6.13 -0.08 -1.26 -0.11 116.55 125.48 1pum n ASP 80 Ca -0.16 1.01 0.08 0.00 -1.51 0.00 0.00 54.79 54.20 1pum n ASP 80 Cb 0.57 -1.21 0.63 0.00 2.34 0.00 0.00 41.12 43.44 1pum n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pum h ASN 82 N 0.00 0.00 0.00 0.00 -0.26 -1.94 -3.37 115.58 110.01 1pum h ASN 82 Ca -0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1pum h ASN 82 Cb 0.13 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1pum h ASN 82 CO 0.01 0.10 -1.65 0.35 -1.06 0.00 0.00 177.43 175.17 1pum n THR 83 N -2.99 0.19 -1.08 2.81 -2.24 -1.08 -5.01 114.28 104.89 1pum n THR 83 Ca 0.02 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.13 1pum n THR 83 Cb 0.58 -0.00 0.12 0.00 -2.10 0.00 0.00 70.33 68.93 1pum n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pum s ALA 84 N -2.77 1.93 0.05 6.98 0.00 -0.57 -4.90 121.76 122.48 1pum s ALA 84 Ca -0.05 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.11 1pum s ALA 84 Cb 0.07 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1pum s ALA 84 CO 0.53 -2.16 1.64 0.08 0.00 0.00 0.00 175.76 175.85 1pum s VAL 85 N -2.64 3.15 0.17 0.00 1.01 -1.26 -4.89 120.40 115.94 1pum s VAL 85 Ca 0.66 0.55 -0.24 0.00 0.00 0.00 0.00 61.98 62.95 1pum s VAL 85 Cb -0.21 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1pum s VAL 85 CO 0.54 -0.01 1.58 -0.09 0.00 0.00 0.00 175.10 177.13 1pum h ARG 86 N 8.46 -0.25 -0.79 2.72 9.65 -1.90 -1.05 114.38 131.22 1pum h ARG 86 Ca -0.42 0.02 0.19 0.00 -1.10 0.00 0.00 59.98 58.67 1pum h ARG 86 Cb 1.20 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.79 1pum h ARG 86 CO 0.93 -0.16 0.54 0.93 2.80 0.00 0.00 179.97 185.01 1pum h GLU 87 N -0.26 0.23 0.00 0.20 3.07 -1.97 0.87 114.58 116.73 1pum h GLU 87 Ca 0.17 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 1pum h GLU 87 Cb 0.56 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1pum h GLU 87 CO -0.60 0.15 0.00 0.00 -1.40 0.00 0.00 179.01 177.16 1pum n ALA 88 N -2.59 1.75 0.62 3.43 0.00 -0.40 -2.85 120.51 120.47 1pum n ALA 88 Ca 0.16 0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.73 1pum n ALA 88 Cb 0.70 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 18.85 1pum n ALA 88 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pum n THR 89 N -2.10 0.07 -3.42 0.00 -2.24 0.29 -1.28 114.28 105.60 1pum n THR 89 Ca 0.03 -0.53 -0.38 0.00 -2.27 0.00 0.00 64.05 60.90 1pum n THR 89 Cb 0.25 1.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.70 1pum n THR 89 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pum s ILE 90 N -1.35 5.11 0.11 2.28 -1.09 -1.13 -4.16 121.20 120.96 1pum s ILE 90 Ca 0.20 0.87 0.02 0.00 -2.23 0.00 0.00 60.65 59.51 1pum s ILE 90 Cb 0.14 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1pum s ILE 90 CO 0.21 0.46 -0.07 0.26 -1.23 0.00 0.00 174.94 174.56 1pum s TRP 91 N -0.25 0.96 -0.14 3.97 0.52 -0.63 -4.11 118.94 119.27 1pum s TRP 91 Ca 0.24 -0.86 -0.00 0.00 0.02 0.00 0.00 56.10 55.50 1pum s TRP 91 Cb -0.16 -0.54 0.03 0.00 -1.15 0.00 0.00 33.47 31.65 1pum s TRP 91 CO 0.11 -0.10 -0.08 -0.65 0.02 0.00 0.00 176.95 176.26 1pum s GLN 92 N -3.69 1.63 -0.31 4.98 -0.21 0.48 -4.82 119.66 117.73 1pum s GLN 92 Ca 0.12 -0.39 -0.16 0.00 0.02 0.00 0.00 55.36 54.94 1pum s GLN 92 Cb 0.04 -1.81 -0.02 0.00 1.00 0.00 0.00 33.01 32.22 1pum s GLN 92 CO -0.03 -0.31 0.42 0.42 -2.12 0.00 0.00 175.29 173.67 1pum s ILE 93 N 1.64 5.12 0.21 1.08 1.01 -1.26 -1.13 121.20 127.88 1pum s ILE 93 Ca 0.04 0.41 -0.05 0.00 0.00 0.00 0.00 60.65 61.04 1pum s ILE 93 Cb -0.13 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 1pum s ILE 93 CO -0.08 -0.01 0.47 0.26 0.00 0.00 0.00 174.94 175.57 1pum s TRP 94 N 2.17 3.47 0.57 3.97 0.51 -0.17 -4.99 118.94 124.47 1pum s TRP 94 Ca 0.16 0.61 0.27 0.00 -2.12 0.00 0.00 56.10 55.02 1pum s TRP 94 Cb -0.16 -2.06 1.67 0.00 -0.81 0.00 0.00 33.47 32.11 1pum s TRP 94 CO 0.11 0.31 2.21 0.78 -0.51 0.00 0.00 176.95 179.85 1pum h GLY 95 N 2.29 0.00 -1.91 0.98 0.00 -1.98 -1.17 103.07 101.28 1pum h GLY 95 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1pum h GLY 95 CO 0.69 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.39 1pum n ASN 96 N -4.00 2.82 0.00 0.19 0.23 -1.26 -4.95 115.26 108.29 1pum n ASN 96 Ca -0.02 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 1pum n ASN 96 Cb 0.13 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 1pum n ASN 96 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pum n GLY 97 N 0.90 3.07 3.82 4.83 0.00 -0.44 -4.86 105.19 112.51 1pum n GLY 97 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1pum n GLY 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pum s THR 98 N -2.78 4.55 -0.23 2.61 -4.23 -1.25 0.02 115.64 114.33 1pum s THR 98 Ca 0.00 1.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1pum s THR 98 Cb 0.00 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 70.07 1pum s THR 98 CO 0.00 0.09 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.41 1pum s ILE 99 N -1.67 2.41 0.06 2.99 1.01 -1.26 -0.99 121.20 123.75 1pum s ILE 99 Ca 0.47 -1.15 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1pum s ILE 99 Cb -0.15 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1pum s ILE 99 CO 0.20 0.26 -0.09 -0.51 0.00 0.00 0.00 174.94 174.81 1pum s ILE 100 N 1.26 3.47 -0.44 2.92 2.07 -0.28 -0.54 121.20 129.65 1pum s ILE 100 Ca -0.00 -1.04 -0.16 0.00 -1.41 0.00 0.00 60.65 58.03 1pum s ILE 100 Cb -0.16 -2.56 0.04 0.00 0.13 0.00 0.00 42.46 39.90 1pum s ILE 100 CO -0.08 0.25 0.41 0.21 -1.91 0.00 0.00 174.94 173.82 1pum s ASN 101 N -1.81 6.16 0.18 4.50 2.47 -0.01 -0.39 114.94 126.03 1pum s ASN 101 Ca 0.19 -0.93 -0.18 0.00 0.42 0.00 0.00 52.86 52.36 1pum s ASN 101 Cb -0.11 -2.20 0.13 0.00 -1.45 0.00 0.00 41.25 37.61 1pum s ASN 101 CO 0.11 -0.59 1.63 -0.65 -3.72 0.00 0.00 177.10 173.87 1pum h PRO 102 N 8.73 -0.11 -0.47 0.43 0.11 -1.86 0.32 132.00 139.15 1pum h PRO 102 Ca -0.27 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.90 1pum h PRO 102 Cb 1.11 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1pum h PRO 102 CO 0.81 -0.07 0.19 -0.09 -0.21 0.00 0.00 178.00 178.63 1pum h ARG 103 N -0.11 0.37 0.00 1.05 9.65 -1.89 -2.47 114.38 120.97 1pum h ARG 103 Ca 0.22 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 1pum h ARG 103 Cb 0.45 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1pum h ARG 103 CO -0.54 0.24 -0.69 0.66 2.80 0.00 0.00 179.97 182.45 1pum h SER 104 N 0.38 0.00 -3.11 -3.80 4.64 -1.87 -3.47 113.55 106.31 1pum h SER 104 Ca 0.22 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.17 1pum h SER 104 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1pum h SER 104 CO -0.20 0.14 -0.50 -3.20 -0.87 0.00 0.00 176.83 172.19 1pum n ASN 105 N -2.90 -5.52 -4.68 4.97 5.15 0.11 -4.97 115.26 107.42 1pum n ASN 105 Ca 0.00 -0.09 -0.24 0.00 -0.60 0.00 0.00 54.58 53.65 1pum n ASN 105 Cb 0.61 -4.51 -0.07 0.00 -0.53 0.00 0.00 39.78 35.27 1pum n ASN 105 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1pum s LEU 106 N -5.62 3.11 0.17 1.20 1.43 -1.22 -4.70 118.68 113.06 1pum s LEU 106 Ca 0.08 -0.88 0.10 0.00 -1.03 0.00 0.00 54.13 52.40 1pum s LEU 106 Cb -0.04 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1pum s LEU 106 CO 0.10 -0.26 -0.22 0.68 0.23 0.00 0.00 176.35 176.89 1pum s VAL 107 N -2.47 2.08 0.25 -1.59 -7.23 0.61 -0.83 120.40 111.23 1pum s VAL 107 Ca 0.36 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.28 1pum s VAL 107 Cb -0.01 -1.96 -0.12 0.00 0.56 0.00 0.00 36.38 34.85 1pum s VAL 107 CO 0.21 -0.18 1.67 -0.22 -0.31 0.00 0.00 175.10 176.27 1pum s LEU 108 N -2.59 4.35 0.05 1.32 2.96 0.29 -0.96 118.68 124.10 1pum s LEU 108 Ca 0.17 2.93 -0.14 0.00 -0.22 0.00 0.00 54.13 56.87 1pum s LEU 108 Cb -0.07 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.02 1pum s LEU 108 CO 0.08 -0.96 0.32 0.00 -1.32 0.00 0.00 176.35 174.47 1pum s ALA 109 N 0.60 -0.72 -0.44 5.97 0.00 0.33 -4.58 121.76 122.92 1pum s ALA 109 Ca 0.69 0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.70 1pum s ALA 109 Cb -0.49 0.33 0.12 0.00 0.00 0.00 0.00 23.12 23.08 1pum s ALA 109 CO 0.40 -0.42 0.20 0.00 0.00 0.00 0.00 175.76 175.93 1pum s ALA 110 N -2.58 3.16 0.59 0.00 0.00 -0.08 -1.16 121.76 121.69 1pum s ALA 110 Ca -0.05 -2.82 0.30 0.00 0.00 0.00 0.00 51.96 49.40 1pum s ALA 110 Cb -0.01 -2.23 1.84 0.00 0.00 0.00 0.00 23.12 22.72 1pum s ALA 110 CO -0.03 -1.86 2.24 0.66 0.00 0.00 0.00 175.76 176.77 1pum h SER 111 N 7.37 0.00 -3.47 0.00 4.64 -1.85 -3.41 113.55 116.83 1pum h SER 111 Ca -0.07 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.84 1pum h SER 111 Cb 0.99 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.93 1pum h SER 111 CO 0.63 0.00 -0.72 -0.44 -0.87 0.00 0.00 176.83 175.43 1pum s SER 112 N -6.06 2.29 -0.17 4.97 0.01 -1.26 -5.05 113.70 108.44 1pum s SER 112 Ca -0.05 -1.03 0.16 0.00 1.31 0.00 0.00 55.95 56.34 1pum s SER 112 Cb 0.15 -0.09 0.64 0.00 0.21 0.00 0.00 66.02 66.93 1pum s SER 112 CO 0.54 -0.24 1.56 0.61 0.41 0.00 0.00 173.24 176.11 1pum n GLY 113 N -0.33 3.32 3.94 3.44 0.00 -1.26 -4.90 105.19 109.39 1pum n GLY 113 Ca -0.09 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1pum n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pum s ILE 114 N -2.42 5.32 0.51 -0.61 -4.36 -1.26 -4.86 121.20 113.52 1pum s ILE 114 Ca 0.46 -0.58 -0.22 0.00 -0.26 0.00 0.00 60.65 60.05 1pum s ILE 114 Cb 0.34 -3.72 -0.06 0.00 1.25 0.00 0.00 42.46 40.27 1pum s ILE 114 CO 0.15 -0.05 1.28 -1.59 0.24 0.00 0.00 174.94 174.97 1pum s LYS 115 N -3.10 3.41 0.00 0.37 -2.85 -1.26 -2.47 119.74 113.85 1pum s LYS 115 Ca 0.35 2.06 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 1pum s LYS 115 Cb -0.11 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.32 1pum s LYS 115 CO 0.28 -0.92 0.00 0.41 0.10 0.00 0.00 175.35 175.22 1pum n GLY 116 N 0.61 3.15 3.65 0.59 0.00 0.44 -5.01 105.19 108.62 1pum n GLY 116 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 1pum n GLY 116 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pum n THR 117 N -2.00 0.03 -2.77 2.61 -1.04 -1.03 -4.66 114.28 105.41 1pum n THR 117 Ca 0.00 -0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 1pum n THR 117 Cb 0.00 -1.38 -0.04 0.00 -1.82 0.00 0.00 70.33 67.09 1pum n THR 117 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1pum s THR 118 N 0.97 4.71 0.51 12.58 2.01 -1.26 -0.84 115.64 134.31 1pum s THR 118 Ca 0.81 1.97 -0.19 0.00 0.31 0.00 0.00 61.69 64.59 1pum s THR 118 Cb -0.75 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 67.41 1pum s THR 118 CO 0.41 0.25 1.04 -0.76 -0.69 0.00 0.00 174.62 174.87 1pum s LEU 119 N 0.46 3.77 0.00 4.42 1.43 0.11 -4.64 118.68 124.23 1pum s LEU 119 Ca 0.47 1.90 0.05 0.00 -1.03 0.00 0.00 54.13 55.52 1pum s LEU 119 Cb -0.22 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.43 1pum s LEU 119 CO 0.27 -0.85 0.28 0.35 0.23 0.00 0.00 176.35 176.63 1pum n THR 120 N -1.19 0.00 -4.58 5.49 -2.24 -0.31 -1.27 114.28 110.18 1pum n THR 120 Ca 0.09 -1.99 -0.34 0.00 -2.27 0.00 0.00 64.05 59.54 1pum n THR 120 Cb 0.53 1.03 -0.12 0.00 -2.10 0.00 0.00 70.33 69.67 1pum n THR 120 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1pum s VAL 121 N -3.09 3.70 0.22 2.28 -7.23 -0.88 -0.51 120.40 114.89 1pum s VAL 121 Ca 0.33 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 1pum s VAL 121 Cb 0.01 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 1pum s VAL 121 CO 0.23 0.56 0.14 -1.10 -0.31 0.00 0.00 175.10 174.62 1pum s GLN 122 N -0.36 1.29 0.24 4.82 -1.52 -0.14 -0.55 119.66 123.44 1pum s GLN 122 Ca 0.05 -1.69 -0.30 0.00 -1.95 0.00 0.00 55.36 51.48 1pum s GLN 122 Cb -0.12 0.17 -0.09 0.00 -0.22 0.00 0.00 33.01 32.74 1pum s GLN 122 CO 0.02 -0.39 1.33 0.99 -0.25 0.00 0.00 175.29 176.99 1pum s THR 123 N -4.02 2.98 -0.11 -0.19 2.01 -1.26 -0.28 115.64 114.77 1pum s THR 123 Ca 0.39 0.85 -0.37 0.00 0.31 0.00 0.00 61.69 62.87 1pum s THR 123 Cb 0.07 -3.54 -0.15 0.00 0.01 0.00 0.00 72.50 68.89 1pum s THR 123 CO 0.14 0.15 1.67 -0.11 -0.69 0.00 0.00 174.62 175.77 1pum n LEU 124 N 2.11 2.53 0.00 4.42 7.94 -1.26 -4.82 117.00 127.92 1pum n LEU 124 Ca 0.05 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 1pum n LEU 124 Cb 0.42 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.14 1pum n LEU 124 CO 0.59 -0.47 0.17 -0.90 -1.11 0.00 0.00 177.39 175.67 1pum n ASP 125 N 4.80 0.00 -2.18 1.96 3.85 -1.26 -5.04 116.55 118.68 1pum n ASP 125 Ca 0.23 -1.00 -0.16 0.00 -0.71 0.00 0.00 54.79 53.15 1pum n ASP 125 Cb 0.20 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.94 1pum n ASP 125 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1pum n TYR 126 N 0.00 -0.99 -2.63 2.11 4.01 -1.26 -4.69 117.16 113.71 1pum n TYR 126 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.50 1pum n TYR 126 Cb 0.44 -3.18 0.03 0.00 -0.31 0.00 0.00 39.34 36.32 1pum n TYR 126 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1pum s THR 127 N -2.68 3.50 0.29 -0.72 -4.23 -1.26 -4.17 115.64 106.37 1pum s THR 127 Ca 0.00 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1pum s THR 127 Cb 0.00 -3.35 0.29 0.00 1.34 0.00 0.00 72.50 70.78 1pum s THR 127 CO 0.00 -0.30 1.85 -0.07 -0.54 0.00 0.00 174.62 175.56 1pum h LEU 128 N 0.03 0.90 0.00 4.79 4.07 -0.88 0.90 115.31 125.12 1pum h LEU 128 Ca -0.45 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.55 1pum h LEU 128 Cb 1.27 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1pum h LEU 128 CO 0.58 0.49 0.00 0.61 -1.08 0.00 0.00 178.44 179.04 1pum n GLY 129 N -1.37 -0.54 0.36 0.83 0.00 -1.26 -1.22 105.19 102.00 1pum n GLY 129 Ca 0.18 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1pum n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pum n GLN 130 N -1.45 2.67 -3.81 1.61 6.02 0.30 -0.90 117.38 121.82 1pum n GLN 130 Ca 0.01 -1.74 -0.35 0.00 -0.01 0.00 0.00 57.00 54.91 1pum n GLN 130 Cb 0.03 -1.15 -0.09 0.00 1.02 0.00 0.00 30.24 30.05 1pum n GLN 130 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1pum s GLY 131 N -0.96 1.98 0.08 1.08 0.00 -0.36 -3.82 107.32 105.33 1pum s GLY 131 Ca 0.13 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.13 1pum s GLY 131 CO 0.09 0.15 -0.09 -0.98 0.00 0.00 0.00 173.10 172.28 1pum s TRP 132 N 0.48 0.90 -0.05 1.90 0.52 0.10 -3.79 118.94 119.00 1pum s TRP 132 Ca 0.06 -0.67 -0.02 0.00 0.02 0.00 0.00 56.10 55.50 1pum s TRP 132 Cb -0.12 -0.51 0.03 0.00 -1.15 0.00 0.00 33.47 31.72 1pum s TRP 132 CO -0.00 -0.07 0.03 -1.17 0.02 0.00 0.00 176.95 175.77 1pum s LEU 133 N -2.31 0.34 -0.15 2.99 2.96 0.47 -4.33 118.68 118.65 1pum s LEU 133 Ca 0.02 0.01 -0.23 0.00 -0.22 0.00 0.00 54.13 53.71 1pum s LEU 133 Cb -0.03 -0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.36 1pum s LEU 133 CO -0.01 -0.22 0.70 0.00 -1.32 0.00 0.00 176.35 175.50 1pum s ALA 134 N 2.08 3.48 0.00 5.97 0.00 -1.26 -1.32 121.76 130.71 1pum s ALA 134 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1pum s ALA 134 Cb -0.12 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1pum s ALA 134 CO -0.04 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1pum n GLY 135 N 3.51 3.25 0.20 0.00 0.00 0.50 -4.99 105.19 107.66 1pum n GLY 135 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.54 1pum n GLY 135 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1pum h ASN 136 N 0.00 0.00 -1.24 1.61 2.35 -1.92 -3.29 115.58 113.10 1pum h ASN 136 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 1pum h ASN 136 Cb 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 1pum h ASN 136 CO 0.00 0.29 1.47 -0.62 -1.65 0.00 0.00 177.43 176.93 1pum s ASP 137 N -6.30 6.54 0.00 5.81 -1.08 -1.26 -4.81 116.67 115.57 1pum s ASP 137 Ca 0.01 -1.59 0.29 0.00 -0.52 0.00 0.00 52.55 50.74 1pum s ASP 137 Cb 0.10 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.39 1pum s ASP 137 CO 0.66 -1.44 1.99 0.35 0.52 0.00 0.00 175.17 177.25 1pum n THR 138 N 6.70 0.02 -2.43 1.71 -2.24 -1.26 -4.83 114.28 111.94 1pum n THR 138 Ca 0.33 0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.75 1pum n THR 138 Cb 0.50 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 1pum n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pum s ALA 139 N -2.75 3.07 0.64 6.98 0.00 -1.26 -4.95 121.76 123.48 1pum s ALA 139 Ca 0.22 0.80 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 1pum s ALA 139 Cb 0.19 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1pum s ALA 139 CO 0.48 -0.37 1.11 -1.25 0.00 0.00 0.00 175.76 175.73 1pum s PRO 140 N -2.52 2.89 -0.27 0.00 0.04 -1.26 -4.94 135.00 128.94 1pum s PRO 140 Ca 0.59 1.42 -0.29 0.00 0.04 0.00 0.00 61.00 62.76 1pum s PRO 140 Cb -0.25 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1pum s PRO 140 CO 0.31 -1.18 1.22 1.03 0.04 0.00 0.00 177.00 178.42 1pum s ARG 141 N -3.97 4.05 -0.18 4.56 3.00 -0.46 -4.75 118.95 121.20 1pum s ARG 141 Ca 0.68 1.32 -0.24 0.00 0.00 0.00 0.00 55.73 57.49 1pum s ARG 141 Cb -0.21 -3.80 -0.02 0.00 0.00 0.00 0.00 34.95 30.92 1pum s ARG 141 CO 0.39 -0.93 0.78 -2.00 0.00 0.00 0.00 175.30 173.54 1pum s GLU 142 N 3.81 4.26 0.23 3.54 2.56 -1.26 0.08 118.70 131.94 1pum s GLU 142 Ca 0.52 0.91 -0.05 0.00 0.00 0.00 0.00 54.97 56.35 1pum s GLU 142 Cb -0.17 -3.58 -0.02 0.00 2.00 0.00 0.00 34.13 32.36 1pum s GLU 142 CO 0.18 -0.32 0.28 0.14 -0.56 0.00 0.00 175.26 174.98 1pum s VAL 143 N 2.15 0.00 -0.08 3.70 -7.23 0.15 -4.41 120.40 114.67 1pum s VAL 143 Ca 0.35 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1pum s VAL 143 Cb -0.16 -2.41 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 1pum s VAL 143 CO 0.11 0.00 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.87 1pum s THR 144 N -3.98 3.03 -0.34 5.32 2.01 0.41 0.39 115.64 122.47 1pum s THR 144 Ca 0.33 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.56 1pum s THR 144 Cb 0.04 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.37 1pum s THR 144 CO 0.13 0.56 0.11 -0.63 -0.69 0.00 0.00 174.62 174.10 1pum s ILE 145 N -0.27 3.74 0.30 1.82 1.01 -1.26 -0.33 121.20 126.21 1pum s ILE 145 Ca 0.02 -1.18 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 1pum s ILE 145 Cb -0.13 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.12 1pum s ILE 145 CO 0.03 -0.20 0.73 -0.31 0.00 0.00 0.00 174.94 175.19 1pum s TYR 146 N 1.39 3.43 0.00 3.97 1.51 0.58 -1.30 117.35 126.92 1pum s TYR 146 Ca -0.01 1.24 0.00 0.00 -1.01 0.00 0.00 57.07 57.28 1pum s TYR 146 Cb -0.20 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.11 1pum s TYR 146 CO 0.02 0.15 0.00 0.41 -1.11 0.00 0.00 175.55 175.02 1pum n GLY 147 N -0.14 4.87 3.50 0.71 0.00 -0.33 0.21 105.19 114.00 1pum n GLY 147 Ca 0.02 -1.03 -0.53 0.00 0.00 0.00 0.00 46.02 44.48 1pum n GLY 147 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pum n PHE 148 N 0.00 0.53 -2.13 1.61 7.35 -1.24 -0.98 117.46 122.60 1pum n PHE 148 Ca 0.00 0.92 -0.12 0.00 -0.76 0.00 0.00 57.45 57.49 1pum n PHE 148 Cb 0.00 -2.11 -0.02 0.00 0.35 0.00 0.00 39.48 37.70 1pum n PHE 148 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1pum n ARG 149 N 1.46 -1.97 -1.48 -4.13 1.74 -1.26 -1.04 116.66 109.97 1pum n ARG 149 Ca 0.18 0.61 -0.15 0.00 -0.77 0.00 0.00 57.85 57.72 1pum n ARG 149 Cb 0.18 -5.10 -0.06 0.00 -1.02 0.00 0.00 32.46 26.45 1pum n ARG 149 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1pum n ASP 150 N -1.39 -4.81 -4.81 0.55 8.00 -0.15 -5.00 116.55 108.94 1pum n ASP 150 Ca -0.14 0.36 -0.29 0.00 0.71 0.00 0.00 54.79 55.43 1pum n ASP 150 Cb 0.55 -3.66 0.11 0.00 -0.02 0.00 0.00 41.12 38.10 1pum n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pum s LEU 151 N -3.49 2.32 -0.02 0.64 1.43 -0.21 -4.55 118.68 114.80 1pum s LEU 151 Ca 0.00 1.06 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 1pum s LEU 151 Cb 0.00 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1pum s LEU 151 CO 0.00 -2.21 -0.17 0.00 0.23 0.00 0.00 176.35 174.21 1pum s MET 153 N -0.89 4.29 -0.01 0.00 1.75 -0.42 -1.06 119.30 122.96 1pum s MET 153 Ca 0.12 2.09 0.04 0.00 -1.25 0.00 0.00 55.69 56.69 1pum s MET 153 Cb -0.10 -3.35 -0.01 0.00 2.84 0.00 0.00 34.83 34.20 1pum s MET 153 CO 0.02 -0.50 -0.14 -2.00 -0.65 0.00 0.00 175.02 171.74 1pum s GLU 154 N 1.54 1.11 -0.05 4.11 2.12 0.18 -4.47 118.70 123.24 1pum s GLU 154 Ca 0.66 -0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.36 1pum s GLU 154 Cb -0.36 -1.08 -0.05 0.00 0.26 0.00 0.00 34.13 32.90 1pum s GLU 154 CO 0.30 0.29 0.28 -1.54 -0.54 0.00 0.00 175.26 174.05 1pum s SER 155 N -0.39 6.60 -0.37 -1.70 1.04 0.19 -1.50 113.70 117.57 1pum s SER 155 Ca 0.05 0.72 0.01 0.00 0.48 0.00 0.00 55.95 57.22 1pum s SER 155 Cb -0.06 -2.16 0.15 0.00 0.10 0.00 0.00 66.02 64.05 1pum s SER 155 CO -0.00 0.36 0.26 0.00 0.98 0.00 0.00 173.24 174.83 1pum s ALA 156 N -1.07 1.12 0.00 5.32 0.00 0.21 -4.86 121.76 122.47 1pum s ALA 156 Ca 0.20 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1pum s ALA 156 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.37 1pum s ALA 156 CO 0.09 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.20 1pum n GLY 157 N 3.61 3.87 0.70 0.00 0.00 -1.26 -0.99 105.19 111.11 1pum n GLY 157 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 1pum n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pum n GLY 158 N 0.00 0.69 3.48 -0.02 0.00 -1.26 -4.80 105.19 103.28 1pum n GLY 158 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1pum n GLY 158 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pum s SER 159 N -1.34 3.64 0.00 1.61 0.01 -0.17 -0.58 113.70 116.89 1pum s SER 159 Ca 0.31 -1.02 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1pum s SER 159 Cb 0.17 -0.33 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 1pum s SER 159 CO 0.24 0.03 0.04 0.54 0.41 0.00 0.00 173.24 174.50 1pum s VAL 160 N -2.51 0.06 0.11 3.43 0.11 -1.26 0.64 120.40 120.99 1pum s VAL 160 Ca 0.30 -0.52 -0.26 0.00 -2.93 0.00 0.00 61.98 58.57 1pum s VAL 160 Cb -0.05 -0.24 0.08 0.00 -1.53 0.00 0.00 36.38 34.65 1pum s VAL 160 CO 0.15 -0.29 1.06 -1.66 -3.33 0.00 0.00 175.10 171.04 1pum s TRP 161 N -0.89 -0.08 -0.08 1.54 -2.14 -0.56 -4.21 118.94 112.52 1pum s TRP 161 Ca -0.10 -0.18 -0.17 0.00 2.66 0.00 0.00 56.10 58.31 1pum s TRP 161 Cb -0.06 0.62 -0.05 0.00 -3.10 0.00 0.00 33.47 30.88 1pum s TRP 161 CO -0.00 -0.68 0.46 0.14 -2.66 0.00 0.00 176.95 174.20 1pum s VAL 162 N -2.90 5.12 0.30 -0.66 -7.23 -1.26 0.47 120.40 114.24 1pum s VAL 162 Ca 0.14 0.92 0.03 0.00 -1.81 0.00 0.00 61.98 61.26 1pum s VAL 162 Cb 0.00 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1pum s VAL 162 CO 0.01 0.41 0.14 -1.61 -0.31 0.00 0.00 175.10 173.74 1pum s GLU 163 N 0.09 1.56 0.18 4.82 2.02 -0.23 -4.87 118.70 122.27 1pum s GLU 163 Ca 0.25 -1.88 -0.32 0.00 0.02 0.00 0.00 54.97 53.04 1pum s GLU 163 Cb -0.16 -0.14 -0.12 0.00 0.10 0.00 0.00 34.13 33.81 1pum s GLU 163 CO 0.11 -0.42 1.73 2.41 0.02 0.00 0.00 175.26 179.12 1pum n THR 164 N -0.56 0.09 -2.11 3.63 -1.04 -1.26 0.01 114.28 113.04 1pum n THR 164 Ca 0.01 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.61 1pum n THR 164 Cb 0.65 -1.96 -0.01 0.00 -1.82 0.00 0.00 70.33 67.20 1pum n THR 164 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pum s THR 166 N -1.28 -0.17 0.42 0.00 -1.32 -1.26 -5.03 115.64 106.99 1pum s THR 166 Ca 0.56 0.07 -0.23 0.00 -1.21 0.00 0.00 61.69 60.88 1pum s THR 166 Cb -0.37 -0.45 -0.11 0.00 -1.51 0.00 0.00 72.50 70.06 1pum s THR 166 CO 0.47 -0.09 0.77 0.00 -2.21 0.00 0.00 174.62 173.56 1pum n ALA 167 N 5.30 -0.72 -0.57 11.08 0.00 -1.26 -2.03 120.51 132.31 1pum n ALA 167 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1pum n ALA 167 Cb 0.49 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1pum n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pum n GLY 168 N 1.50 0.43 3.61 0.00 0.00 -1.26 -4.93 105.19 104.54 1pum n GLY 168 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1pum n GLY 168 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pum s GLN 169 N -0.57 3.73 0.41 1.61 0.74 -0.86 -4.91 119.66 119.81 1pum s GLN 169 Ca 0.00 1.05 0.12 0.00 0.05 0.00 0.00 55.36 56.58 1pum s GLN 169 Cb 0.00 -3.96 0.96 0.00 1.10 0.00 0.00 33.01 31.11 1pum s GLN 169 CO 0.00 -1.36 1.97 0.93 -0.55 0.00 0.00 175.29 176.27 1pum h GLU 170 N 10.00 0.48 0.00 1.67 4.39 -1.91 -1.55 114.58 127.67 1pum h GLU 170 Ca -0.27 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1pum h GLU 170 Cb 1.10 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1pum h GLU 170 CO 1.07 0.32 0.00 0.27 -1.16 0.00 0.00 179.01 179.51 1pum n ASN 171 N -4.48 0.00 -0.16 1.42 2.04 -1.26 -1.19 115.26 111.63 1pum n ASN 171 Ca 0.10 -1.25 0.02 0.00 -0.44 0.00 0.00 54.58 53.02 1pum n ASN 171 Cb 0.35 0.00 0.05 0.00 -2.53 0.00 0.00 39.78 37.65 1pum n ASN 171 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1pum n GLN 172 N -0.64 2.85 -4.36 -3.83 6.02 -0.58 -0.63 117.38 116.21 1pum n GLN 172 Ca 0.05 -1.73 -0.34 0.00 -0.01 0.00 0.00 57.00 54.97 1pum n GLN 172 Cb 0.02 -1.11 -0.09 0.00 1.02 0.00 0.00 30.24 30.08 1pum n GLN 172 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1pum s ARG 173 N -1.18 2.87 0.04 -1.09 1.81 -0.33 -4.21 118.95 116.87 1pum s ARG 173 Ca 0.08 -0.51 0.04 0.00 -1.72 0.00 0.00 55.73 53.62 1pum s ARG 173 Cb 0.05 -2.72 -0.02 0.00 -0.45 0.00 0.00 34.95 31.81 1pum s ARG 173 CO 0.04 0.67 -0.11 -1.58 -0.68 0.00 0.00 175.30 173.63 1pum s TRP 174 N -0.97 0.96 -0.31 -0.53 0.52 0.16 -1.95 118.94 116.83 1pum s TRP 174 Ca 0.16 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 55.81 1pum s TRP 174 Cb -0.11 -0.57 -0.01 0.00 -1.15 0.00 0.00 33.47 31.63 1pum s TRP 174 CO 0.06 -0.00 0.14 0.00 0.02 0.00 0.00 176.95 177.16 1pum s ALA 175 N -0.96 3.24 -0.39 0.98 0.00 0.13 0.31 121.76 125.07 1pum s ALA 175 Ca -0.02 -1.39 -0.21 0.00 0.00 0.00 0.00 51.96 50.34 1pum s ALA 175 Cb -0.08 -2.34 0.01 0.00 0.00 0.00 0.00 23.12 20.72 1pum s ALA 175 CO 0.01 -0.89 0.66 -0.51 0.00 0.00 0.00 175.76 175.03 1pum s LEU 176 N 1.60 4.32 0.27 0.00 1.43 0.11 -1.13 118.68 125.27 1pum s LEU 176 Ca 0.04 -0.01 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1pum s LEU 176 Cb -0.17 -2.80 -0.08 0.00 0.03 0.00 0.00 46.19 43.17 1pum s LEU 176 CO 0.06 -0.69 0.62 -0.31 0.23 0.00 0.00 176.35 176.26 1pum s TYR 177 N 2.82 3.40 0.57 0.29 1.51 -0.71 -1.35 117.35 123.89 1pum s TYR 177 Ca 0.25 1.00 0.26 0.00 -1.01 0.00 0.00 57.07 57.58 1pum s TYR 177 Cb -0.14 -2.36 1.69 0.00 -0.11 0.00 0.00 41.96 41.04 1pum s TYR 177 CO 0.17 0.20 2.23 0.78 -1.11 0.00 0.00 175.55 177.82 1pum h GLY 178 N 2.43 0.00 1.14 0.71 0.00 -1.88 -0.54 103.07 104.93 1pum h GLY 178 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1pum h GLY 178 CO 0.68 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.31 1pum n ASP 179 N -4.01 0.00 0.00 0.19 5.68 -1.26 -3.87 116.55 113.28 1pum n ASP 179 Ca -0.03 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 1pum n ASP 179 Cb 0.09 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.00 1pum n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pum n GLY 180 N 0.34 0.59 3.89 6.12 0.00 -0.21 -4.33 105.19 111.59 1pum n GLY 180 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1pum n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pum s SER 181 N -2.85 6.23 -0.20 1.61 1.04 -1.25 -0.61 113.70 117.66 1pum s SER 181 Ca 0.00 1.12 0.01 0.00 0.48 0.00 0.00 55.95 57.56 1pum s SER 181 Cb 0.00 -2.32 0.04 0.00 0.10 0.00 0.00 66.02 63.84 1pum s SER 181 CO 0.00 -0.71 -0.11 -0.63 0.98 0.00 0.00 173.24 172.77 1pum s ILE 182 N -2.92 1.72 0.00 -1.02 1.01 -1.26 -1.73 121.20 117.00 1pum s ILE 182 Ca 0.51 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 60.17 1pum s ILE 182 Cb -0.11 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1pum s ILE 182 CO 0.49 0.17 -0.24 -0.13 0.00 0.00 0.00 174.94 175.22 1pum s ARG 183 N 1.36 2.04 0.16 2.79 0.52 -0.29 -1.04 118.95 124.49 1pum s ARG 183 Ca -0.02 -0.97 -0.31 0.00 -0.52 0.00 0.00 55.73 53.91 1pum s ARG 183 Cb -0.16 -2.06 -0.10 0.00 0.52 0.00 0.00 34.95 33.14 1pum s ARG 183 CO -0.08 0.55 1.67 -2.14 0.02 0.00 0.00 175.30 175.32 1pum s PRO 184 N -0.89 4.17 0.34 3.54 0.02 -1.26 0.21 135.00 141.12 1pum s PRO 184 Ca 0.11 2.47 0.10 0.00 0.02 0.00 0.00 61.00 63.71 1pum s PRO 184 Cb -0.10 -3.27 0.88 0.00 0.02 0.00 0.00 34.50 32.02 1pum s PRO 184 CO 0.01 -0.71 1.77 -0.22 -0.33 0.00 0.00 177.00 177.52 1pum h LYS 185 N 7.35 0.60 0.00 5.54 3.64 -1.66 -1.11 116.57 130.94 1pum h LYS 185 Ca -0.43 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1pum h LYS 185 Cb 1.20 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1pum h LYS 185 CO 0.94 0.40 -0.05 1.96 -2.27 0.00 0.00 179.45 180.43 1pum h GLN 186 N 0.62 0.00 -2.22 1.90 4.20 -1.83 -3.37 115.11 114.40 1pum h GLN 186 Ca 0.59 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.79 1pum h GLN 186 Cb 1.11 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.54 1pum h GLN 186 CO -0.37 0.05 -0.85 1.21 -0.67 0.00 0.00 178.83 178.20 1pum s ASN 187 N -5.92 1.49 0.00 1.46 3.84 -0.43 -4.98 114.94 110.40 1pum s ASN 187 Ca 0.03 -2.49 0.00 0.00 0.21 0.00 0.00 52.86 50.61 1pum s ASN 187 Cb 0.08 -0.04 0.00 0.00 -0.55 0.00 0.00 41.25 40.74 1pum s ASN 187 CO 0.60 -0.21 0.59 0.00 -2.79 0.00 0.00 177.10 175.29 1pum n GLN 188 N 3.38 0.68 0.00 0.43 6.02 -1.16 -1.37 117.38 125.36 1pum n GLN 188 Ca 0.21 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.31 1pum n GLN 188 Cb 0.45 -1.09 0.03 0.00 1.02 0.00 0.00 30.24 30.65 1pum n GLN 188 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1pum n SER 189 N -0.33 1.23 -4.84 1.08 7.64 -1.26 -4.93 113.62 112.21 1pum n SER 189 Ca 0.00 -1.02 -0.25 0.00 1.01 0.00 0.00 58.87 58.61 1pum n SER 189 Cb 0.04 0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 63.83 1pum n SER 189 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1pum s GLN 190 N -2.79 3.04 0.02 1.43 -1.52 -0.47 -1.30 119.66 118.07 1pum s GLN 190 Ca 0.13 -0.85 0.02 0.00 -1.95 0.00 0.00 55.36 52.72 1pum s GLN 190 Cb 0.17 -2.71 -0.02 0.00 -0.22 0.00 0.00 33.01 30.24 1pum s GLN 190 CO 0.72 0.47 -0.07 0.00 -0.25 0.00 0.00 175.29 176.16 1pum s LEU 192 N -0.98 4.34 -0.02 0.00 2.96 -0.20 -2.25 118.68 122.53 1pum s LEU 192 Ca -0.05 2.16 -0.02 0.00 -0.22 0.00 0.00 54.13 56.00 1pum s LEU 192 Cb -0.07 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1pum s LEU 192 CO 0.00 -0.66 0.06 -0.89 -1.32 0.00 0.00 176.35 173.54 1pum s THR 193 N 1.83 0.01 -0.43 3.68 2.01 0.52 -4.39 115.64 118.86 1pum s THR 193 Ca 0.63 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.49 1pum s THR 193 Cb -0.33 -0.12 0.11 0.00 0.01 0.00 0.00 72.50 72.17 1pum s THR 193 CO 0.28 -0.04 0.26 0.54 -0.69 0.00 0.00 174.62 174.97 1pum s ASN 194 N -0.11 5.48 0.66 3.53 6.03 -0.55 -0.30 114.94 129.68 1pum s ASN 194 Ca -0.02 -1.88 0.40 0.00 -1.03 0.00 0.00 52.86 50.33 1pum s ASN 194 Cb -0.01 -1.92 2.19 0.00 -3.03 0.00 0.00 41.25 38.48 1pum s ASN 194 CO 0.00 -0.59 2.25 1.23 -2.03 0.00 0.00 177.10 177.95 1pum h GLY 195 N 8.26 0.00 -1.88 0.45 0.00 -1.86 -3.40 103.07 104.64 1pum h GLY 195 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.70 1pum h GLY 195 CO 0.77 0.00 -0.54 0.50 0.00 0.00 0.00 176.54 177.26 1pum s ARG 196 N -4.17 1.67 0.00 4.80 0.52 -1.26 -5.03 118.95 115.49 1pum s ARG 196 Ca -0.05 -1.97 0.15 0.00 -0.52 0.00 0.00 55.73 53.34 1pum s ARG 196 Cb 0.12 -0.16 0.15 0.00 0.52 0.00 0.00 34.95 35.58 1pum s ARG 196 CO 0.38 -0.47 1.01 -0.25 0.02 0.00 0.00 175.30 175.99 1pum n ASP 197 N -1.06 2.34 -4.77 0.23 10.43 -1.26 -4.93 116.55 117.54 1pum n ASP 197 Ca 0.00 -1.66 -0.39 0.00 2.57 0.00 0.00 54.79 55.32 1pum n ASP 197 Cb 0.65 -0.03 -0.00 0.00 1.84 0.00 0.00 41.12 43.57 1pum n ASP 197 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1pum s SER 198 N -1.21 6.17 0.31 -2.24 0.01 -1.26 -4.90 113.70 110.58 1pum s SER 198 Ca 0.19 2.57 0.08 0.00 1.31 0.00 0.00 55.95 60.10 1pum s SER 198 Cb 0.13 -2.63 0.43 0.00 0.21 0.00 0.00 66.02 64.16 1pum s SER 198 CO 0.19 -0.94 1.08 1.33 0.41 0.00 0.00 173.24 175.31 1pum n VAL 199 N -0.14 0.41 -2.31 3.43 0.24 -1.26 -1.58 118.33 117.12 1pum n VAL 199 Ca 0.05 0.73 0.03 0.00 -2.04 0.00 0.00 64.34 63.12 1pum n VAL 199 Cb 0.45 -1.73 0.07 0.00 -1.47 0.00 0.00 33.84 31.15 1pum n VAL 199 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1pum n SER 200 N -1.90 1.34 -4.76 -1.34 7.64 -1.24 -3.98 113.62 109.38 1pum n SER 200 Ca -0.01 -2.50 -0.41 0.00 1.01 0.00 0.00 58.87 56.97 1pum n SER 200 Cb 0.46 -0.37 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1pum n SER 200 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1pum s THR 201 N -1.23 2.22 -0.14 0.44 2.01 -0.61 -4.76 115.64 113.57 1pum s THR 201 Ca 0.35 0.19 -0.25 0.00 0.31 0.00 0.00 61.69 62.29 1pum s THR 201 Cb 0.38 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1pum s THR 201 CO -0.13 0.03 0.82 -0.69 -0.69 0.00 0.00 174.62 173.96 1pum s VAL 202 N -0.27 4.91 0.22 3.82 1.01 -1.26 -2.12 120.40 126.71 1pum s VAL 202 Ca 0.60 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.90 1pum s VAL 202 Cb -0.46 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 31.70 1pum s VAL 202 CO 0.50 0.08 1.18 -0.63 0.00 0.00 0.00 175.10 176.23 1pum s ILE 203 N 1.83 3.49 0.06 2.22 1.01 0.54 -4.66 121.20 125.69 1pum s ILE 203 Ca 0.39 1.32 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1pum s ILE 203 Cb -0.17 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.45 1pum s ILE 203 CO 0.14 0.25 0.04 -0.46 0.00 0.00 0.00 174.94 174.91 1pum n ASN 204 N 2.05 0.13 -4.09 3.58 6.94 0.60 -4.52 115.26 119.95 1pum n ASN 204 Ca 0.03 -1.39 -0.32 0.00 -0.02 0.00 0.00 54.58 52.88 1pum n ASN 204 Cb 0.44 0.27 -0.16 0.00 -2.36 0.00 0.00 39.78 37.98 1pum n ASN 204 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1pum s ILE 205 N -2.14 2.05 0.27 1.53 1.01 0.26 -0.36 121.20 123.82 1pum s ILE 205 Ca 0.06 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.59 1pum s ILE 205 Cb 0.00 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1pum s ILE 205 CO 0.04 0.35 0.12 0.68 0.00 0.00 0.00 174.94 176.12 1pum s VAL 206 N 1.25 0.46 0.35 2.92 -7.23 -0.95 -4.56 120.40 112.64 1pum s VAL 206 Ca 0.00 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.90 1pum s VAL 206 Cb -0.15 -2.59 -0.12 0.00 0.56 0.00 0.00 36.38 34.08 1pum s VAL 206 CO -0.10 0.00 1.33 -0.24 -0.31 0.00 0.00 175.10 175.78 1pum n SER 207 N -0.58 2.99 -0.06 4.85 2.88 -1.26 0.08 113.62 122.51 1pum n SER 207 Ca 0.00 1.21 0.14 0.00 -1.33 0.00 0.00 58.87 58.89 1pum n SER 207 Cb 0.66 -1.52 0.64 0.00 -0.75 0.00 0.00 64.21 63.25 1pum n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pum h SER 209 N 0.31 0.60 1.38 0.00 4.64 -1.91 0.34 113.55 118.92 1pum h SER 209 Ca 0.00 0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1pum h SER 209 Cb 0.35 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1pum h SER 209 CO 0.00 0.07 -0.13 0.00 -0.87 0.00 0.00 176.83 175.90 1pum h ALA 210 N 1.72 0.96 -6.39 5.18 0.00 -2.00 -3.45 119.26 115.28 1pum h ALA 210 Ca 0.65 -0.12 -0.49 0.00 0.00 0.00 0.00 54.91 54.96 1pum h ALA 210 Cb 1.37 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1pum h ALA 210 CO -0.45 0.16 -0.81 0.41 0.00 0.00 0.00 179.25 178.56 1pum n GLY 211 N 0.59 -0.39 3.67 0.00 0.00 0.12 -4.86 105.19 104.32 1pum n GLY 211 Ca 0.02 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1pum n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pum s SER 212 N -3.72 2.68 0.46 1.61 1.04 -1.26 -0.39 113.70 114.13 1pum s SER 212 Ca 0.43 1.29 0.19 0.00 0.48 0.00 0.00 55.95 58.33 1pum s SER 212 Cb -0.22 -1.97 1.13 0.00 0.10 0.00 0.00 66.02 65.06 1pum s SER 212 CO 0.86 -3.11 2.00 0.77 0.98 0.00 0.00 173.24 174.74 1pum h SER 213 N -1.88 0.00 0.00 7.02 4.64 -1.84 -1.64 113.55 119.85 1pum h SER 213 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1pum h SER 213 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1pum h SER 213 CO 0.56 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 1pum n GLY 214 N -0.84 -0.67 0.39 -0.77 0.00 -1.26 -2.31 105.19 99.72 1pum n GLY 214 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1pum n GLY 214 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pum n GLN 215 N -0.93 1.36 -4.17 1.61 6.02 -0.62 -1.48 117.38 119.17 1pum n GLN 215 Ca 0.14 -1.39 -0.34 0.00 -0.01 0.00 0.00 57.00 55.39 1pum n GLN 215 Cb 0.06 -1.17 -0.14 0.00 1.02 0.00 0.00 30.24 30.01 1pum n GLN 215 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1pum s ARG 216 N -0.82 3.45 0.26 -1.09 3.52 -0.98 -3.89 118.95 119.40 1pum s ARG 216 Ca 0.13 -0.61 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 1pum s ARG 216 Cb 0.08 -2.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.48 1pum s ARG 216 CO 0.11 -0.03 -0.08 -1.58 -0.81 0.00 0.00 175.30 172.91 1pum s TRP 217 N 1.04 1.88 -0.04 5.12 0.52 0.22 -1.58 118.94 126.09 1pum s TRP 217 Ca 0.01 -0.67 0.01 0.00 0.02 0.00 0.00 56.10 55.46 1pum s TRP 217 Cb -0.15 -1.02 0.02 0.00 -1.15 0.00 0.00 33.47 31.18 1pum s TRP 217 CO -0.00 0.29 -0.03 0.54 0.02 0.00 0.00 176.95 177.77 1pum s VAL 218 N -3.01 0.45 0.00 4.03 0.11 0.26 -4.76 120.40 117.48 1pum s VAL 218 Ca 0.28 -0.06 -0.22 0.00 -2.93 0.00 0.00 61.98 59.05 1pum s VAL 218 Cb 0.03 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.32 1pum s VAL 218 CO 0.11 0.21 0.64 -0.36 -3.33 0.00 0.00 175.10 172.36 1pum s PHE 219 N 1.01 3.69 0.26 1.54 0.40 -1.26 -1.32 117.98 122.29 1pum s PHE 219 Ca -0.10 1.26 0.07 0.00 -0.60 0.00 0.00 56.93 57.57 1pum s PHE 219 Cb -0.14 -2.67 -0.04 0.00 0.51 0.00 0.00 43.02 40.69 1pum s PHE 219 CO -0.01 0.32 0.18 0.95 0.70 0.00 0.00 175.22 177.36 1pum s THR 220 N -0.09 4.23 0.22 0.64 -4.23 -0.49 -5.00 115.64 110.91 1pum s THR 220 Ca 0.33 -1.47 0.36 0.00 -1.18 0.00 0.00 61.69 59.73 1pum s THR 220 Cb -0.19 -3.31 0.40 0.00 1.34 0.00 0.00 72.50 70.75 1pum s THR 220 CO 0.18 -0.34 2.07 -1.13 -0.54 0.00 0.00 174.62 174.86 1pum h ASN 221 N 1.53 0.00 0.15 3.99 -0.73 -1.98 -2.36 115.58 116.19 1pum h ASN 221 Ca -0.48 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.69 1pum h ASN 221 Cb 1.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.83 1pum h ASN 221 CO 0.61 0.00 -0.12 0.00 -0.37 0.00 0.00 177.43 177.55 1pum n ALA 222 N -2.08 2.81 0.00 1.57 0.00 -1.26 -4.93 120.51 116.61 1pum n ALA 222 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1pum n ALA 222 Cb 0.25 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1pum n ALA 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pum n GLY 223 N 1.25 0.63 3.92 0.00 0.00 -0.89 -4.93 105.19 105.18 1pum n GLY 223 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1pum n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pum s ALA 224 N -2.00 3.60 -0.28 4.61 0.00 -1.26 -0.10 121.76 126.34 1pum s ALA 224 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1pum s ALA 224 Cb 0.00 -2.28 0.07 0.00 0.00 0.00 0.00 23.12 20.92 1pum s ALA 224 CO 0.00 -0.04 -0.02 0.42 0.00 0.00 0.00 175.76 176.12 1pum s ILE 225 N -2.37 1.79 0.02 0.00 1.01 -1.26 -1.40 121.20 119.00 1pum s ILE 225 Ca 0.43 -1.63 0.02 0.00 0.00 0.00 0.00 60.65 59.47 1pum s ILE 225 Cb -0.10 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1pum s ILE 225 CO 0.37 -0.28 0.03 -0.76 0.00 0.00 0.00 174.94 174.30 1pum s LEU 226 N 1.23 3.65 0.08 2.97 1.43 -0.44 -0.43 118.68 127.16 1pum s LEU 226 Ca -0.00 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 1pum s LEU 226 Cb -0.19 -2.18 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 1pum s LEU 226 CO -0.09 0.25 1.19 0.21 0.23 0.00 0.00 176.35 178.15 1pum s ASN 227 N -1.83 7.09 0.21 2.29 2.47 -0.32 -0.57 114.94 124.27 1pum s ASN 227 Ca 0.23 2.04 -0.10 0.00 0.42 0.00 0.00 52.86 55.45 1pum s ASN 227 Cb -0.12 -2.58 0.26 0.00 -1.45 0.00 0.00 41.25 37.36 1pum s ASN 227 CO 0.14 -0.45 1.75 0.25 -3.72 0.00 0.00 177.10 175.07 1pum h LEU 228 N 6.56 0.25 0.03 3.21 5.85 -1.56 -1.19 115.31 128.45 1pum h LEU 228 Ca -0.42 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1pum h LEU 228 Cb 1.21 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1pum h LEU 228 CO 0.80 0.15 -0.01 0.50 -0.34 0.00 0.00 178.44 179.54 1pum h LYS 229 N 0.42 -0.04 -0.00 1.25 3.64 -1.81 -3.36 116.57 116.67 1pum h LYS 229 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1pum h LYS 229 Cb 0.35 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1pum h LYS 229 CO -0.29 0.59 -0.11 0.27 -2.27 0.00 0.00 179.45 177.64 1pum n ASN 230 N -4.72 0.22 0.00 4.20 2.04 -1.24 -4.93 115.26 110.83 1pum n ASN 230 Ca -0.07 -0.08 0.00 0.00 -0.44 0.00 0.00 54.58 53.99 1pum n ASN 230 Cb 0.31 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 1pum n ASN 230 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1pum n GLY 231 N 1.39 0.25 3.83 4.83 0.00 -0.45 -4.98 105.19 110.06 1pum n GLY 231 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1pum n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pum s LEU 232 N 0.00 3.98 0.10 0.99 1.02 -1.26 -4.67 118.68 118.84 1pum s LEU 232 Ca 0.00 1.59 -0.09 0.00 0.02 0.00 0.00 54.13 55.65 1pum s LEU 232 Cb 0.00 -4.41 -0.06 0.00 0.02 0.00 0.00 46.19 41.74 1pum s LEU 232 CO 0.00 -0.31 0.41 0.00 0.02 0.00 0.00 176.35 176.47 1pum s ALA 233 N -2.12 3.72 0.27 4.21 0.00 0.11 -1.17 121.76 126.78 1pum s ALA 233 Ca 0.60 -0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 1pum s ALA 233 Cb -0.10 -2.26 -0.10 0.00 0.00 0.00 0.00 23.12 20.67 1pum s ALA 233 CO 0.14 0.58 1.40 -1.64 0.00 0.00 0.00 175.76 176.24 1pum s MET 234 N -2.13 4.30 -0.07 0.00 -1.94 0.43 -0.96 119.30 118.92 1pum s MET 234 Ca 0.36 2.27 -0.03 0.00 -1.71 0.00 0.00 55.69 56.57 1pum s MET 234 Cb -0.13 -3.10 0.04 0.00 2.01 0.00 0.00 34.83 33.64 1pum s MET 234 CO 0.20 -0.35 0.16 0.34 -0.01 0.00 0.00 175.02 175.36 1pum s ASP 235 N 0.13 -0.07 -0.57 3.03 -1.08 0.22 -4.51 116.67 113.81 1pum s ASP 235 Ca 0.56 0.34 -0.28 0.00 -0.52 0.00 0.00 52.55 52.66 1pum s ASP 235 Cb -0.41 0.24 0.02 0.00 -1.46 0.00 0.00 42.92 41.30 1pum s ASP 235 CO 0.46 -0.16 1.36 -0.69 0.52 0.00 0.00 175.17 176.65 1pum s VAL 236 N 1.28 3.84 -0.15 1.11 1.01 -0.19 0.00 120.40 127.30 1pum s VAL 236 Ca -0.08 0.71 -0.42 0.00 0.00 0.00 0.00 61.98 62.20 1pum s VAL 236 Cb -0.11 -4.53 -0.20 0.00 0.00 0.00 0.00 36.38 31.54 1pum s VAL 236 CO -0.06 -1.24 1.21 0.00 0.00 0.00 0.00 175.10 175.01 1pum n ALA 237 N 9.30 -2.93 -2.26 5.51 0.00 -0.93 -1.11 120.51 128.09 1pum n ALA 237 Ca 0.11 0.56 -0.09 0.00 0.00 0.00 0.00 53.44 54.02 1pum n ALA 237 Cb 0.49 -1.78 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1pum n ALA 237 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pum n GLN 238 N 2.23 -2.21 -3.82 0.00 6.02 -1.26 -0.22 117.38 118.12 1pum n GLN 238 Ca 0.23 0.47 -0.30 0.00 -0.01 0.00 0.00 57.00 57.39 1pum n GLN 238 Cb 0.04 -4.98 -0.02 0.00 1.02 0.00 0.00 30.24 26.30 1pum n GLN 238 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pum n ALA 239 N -1.89 -1.16 -3.63 -1.58 0.00 -0.27 -4.89 120.51 107.09 1pum n ALA 239 Ca -0.11 0.02 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1pum n ALA 239 Cb 0.54 -3.04 -0.12 0.00 0.00 0.00 0.00 19.45 16.83 1pum n ALA 239 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1pum s ASN 240 N -2.99 3.32 0.30 0.00 3.04 0.69 -4.98 114.94 114.32 1pum s ASN 240 Ca 0.58 -2.64 0.13 0.00 0.04 0.00 0.00 52.86 50.97 1pum s ASN 240 Cb -0.32 -0.86 0.71 0.00 -1.54 0.00 0.00 41.25 39.25 1pum s ASN 240 CO 0.72 -0.26 1.30 -0.81 -3.04 0.00 0.00 177.10 175.01 1pum n PRO 241 N 3.49 0.09 0.15 0.43 -0.04 -1.26 -0.56 135.00 137.30 1pum n PRO 241 Ca 0.12 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.14 1pum n PRO 241 Cb 0.37 -2.04 0.27 0.00 -0.04 0.00 0.00 33.50 32.05 1pum n PRO 241 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pum h ALA 242 N 1.30 1.20 0.00 0.55 0.00 -1.92 -1.05 119.26 119.32 1pum h ALA 242 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1pum h ALA 242 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pum h ALA 242 CO 0.00 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1pum h LEU 243 N 0.03 0.00 -1.38 0.00 4.07 -1.16 -3.45 115.31 113.42 1pum h LEU 243 Ca -0.00 0.00 -0.45 0.00 0.08 0.00 0.00 57.88 57.50 1pum h LEU 243 Cb 0.84 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.58 1pum h LEU 243 CO 0.06 0.00 -0.80 0.00 -1.08 0.00 0.00 178.44 176.62 1pum n ALA 244 N -1.92 -1.64 -3.30 1.53 0.00 -0.40 -4.98 120.51 109.80 1pum n ALA 244 Ca -0.01 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1pum n ALA 244 Cb 0.10 -3.21 -0.10 0.00 0.00 0.00 0.00 19.45 16.24 1pum n ALA 244 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1pum s ARG 245 N -6.35 0.51 -0.12 0.00 1.70 -1.26 -4.74 118.95 108.68 1pum s ARG 245 Ca 0.34 0.48 -0.02 0.00 -0.47 0.00 0.00 55.73 56.06 1pum s ARG 245 Cb -0.17 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.43 1pum s ARG 245 CO 0.83 -0.08 -0.05 0.42 -1.08 0.00 0.00 175.30 175.34 1pum s ILE 246 N 0.01 3.85 0.32 4.99 1.01 -1.26 -2.18 121.20 127.94 1pum s ILE 246 Ca -0.02 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.28 1pum s ILE 246 Cb -0.03 -2.65 -0.06 0.00 0.01 0.00 0.00 42.46 39.73 1pum s ILE 246 CO 0.01 0.54 0.06 0.27 0.00 0.00 0.00 174.94 175.81 1pum s ILE 247 N -0.10 1.19 -0.01 2.92 -4.36 0.10 -0.34 121.20 120.60 1pum s ILE 247 Ca 0.02 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.35 1pum s ILE 247 Cb -0.13 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 40.75 1pum s ILE 247 CO 0.03 -0.01 0.24 0.27 0.24 0.00 0.00 174.94 175.71 1pum s ILE 248 N -3.30 5.34 0.02 8.37 -4.36 -0.90 0.72 121.20 127.08 1pum s ILE 248 Ca 0.36 0.13 -0.28 0.00 -0.26 0.00 0.00 60.65 60.60 1pum s ILE 248 Cb 0.09 -3.55 0.07 0.00 1.25 0.00 0.00 42.46 40.32 1pum s ILE 248 CO 0.15 0.38 0.66 -0.47 0.24 0.00 0.00 174.94 175.91 1pum s TYR 249 N -1.28 -0.62 0.15 1.37 5.04 -0.13 -3.68 117.35 118.21 1pum s TYR 249 Ca 0.26 0.85 -0.34 0.00 -2.44 0.00 0.00 57.07 55.41 1pum s TYR 249 Cb -0.13 0.46 -0.15 0.00 0.35 0.00 0.00 41.96 42.49 1pum s TYR 249 CO 0.15 -0.69 1.32 -2.30 -1.34 0.00 0.00 175.55 172.70 1pum n PRO 250 N 0.47 1.43 -1.70 4.97 -0.02 -1.26 -0.72 135.00 138.18 1pum n PRO 250 Ca -0.18 0.51 -0.44 0.00 -2.02 0.00 0.00 63.50 61.37 1pum n PRO 250 Cb 0.60 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1pum n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pum n ALA 251 N 2.18 2.07 0.00 3.55 0.00 -1.26 -4.77 120.51 122.28 1pum n ALA 251 Ca 0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1pum n ALA 251 Cb 0.24 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1pum n ALA 251 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pum n THR 252 N 3.32 0.00 -0.90 0.00 -2.24 -1.26 -5.00 114.28 108.19 1pum n THR 252 Ca 0.15 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1pum n THR 252 Cb 0.32 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1pum n THR 252 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pum n GLY 253 N 0.70 0.59 3.81 3.38 0.00 -1.26 -4.99 105.19 107.42 1pum n GLY 253 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1pum n GLY 253 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pum s ASN 254 N -2.47 5.81 0.63 1.61 0.02 -1.26 -4.93 114.94 114.34 1pum s ASN 254 Ca 0.00 1.77 0.31 0.00 -1.02 0.00 0.00 52.86 53.92 1pum s ASN 254 Cb 0.00 -2.53 1.70 0.00 0.02 0.00 0.00 41.25 40.44 1pum s ASN 254 CO 0.00 -1.15 2.02 1.55 0.02 0.00 0.00 177.10 179.54 1pum h PRO 255 N 0.34 0.00 -0.30 -0.60 0.13 -1.96 0.12 132.00 129.73 1pum h PRO 255 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1pum h PRO 255 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1pum h PRO 255 CO 0.58 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.62 1pum n ASN 256 N -3.35 1.50 -0.13 1.44 6.94 -1.26 -2.73 115.26 117.67 1pum n ASN 256 Ca 0.01 -2.02 0.03 0.00 -0.02 0.00 0.00 54.58 52.58 1pum n ASN 256 Cb 0.39 -0.20 0.05 0.00 -2.36 0.00 0.00 39.78 37.65 1pum n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pum n GLN 257 N 0.28 1.28 -4.18 -3.83 6.02 0.41 -1.02 117.38 116.34 1pum n GLN 257 Ca 0.09 -1.58 -0.35 0.00 -0.01 0.00 0.00 57.00 55.15 1pum n GLN 257 Cb 0.25 -0.98 -0.10 0.00 1.02 0.00 0.00 30.24 30.43 1pum n GLN 257 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1pum s MET 258 N -1.25 3.54 0.17 -1.09 -1.94 -1.11 -4.23 119.30 113.39 1pum s MET 258 Ca 0.11 -0.37 -0.00 0.00 -1.71 0.00 0.00 55.69 53.72 1pum s MET 258 Cb 0.09 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 1pum s MET 258 CO 0.01 0.47 0.07 -1.58 -0.01 0.00 0.00 175.02 173.98 1pum s TRP 259 N -0.21 1.08 -0.28 -0.03 0.52 0.86 -3.69 118.94 117.20 1pum s TRP 259 Ca 0.07 -1.22 -0.01 0.00 0.02 0.00 0.00 56.10 54.95 1pum s TRP 259 Cb -0.12 -0.59 0.17 0.00 -1.15 0.00 0.00 33.47 31.78 1pum s TRP 259 CO 0.02 -0.46 0.52 -1.17 0.02 0.00 0.00 176.95 175.88 1pum s LEU 260 N -3.13 -1.14 -0.02 2.99 2.96 0.13 -4.68 118.68 115.78 1pum s LEU 260 Ca 0.29 0.62 -0.28 0.00 -0.22 0.00 0.00 54.13 54.55 1pum s LEU 260 Cb 0.07 1.81 -0.03 0.00 0.50 0.00 0.00 46.19 48.54 1pum s LEU 260 CO 0.06 -0.28 0.89 -2.16 -1.32 0.00 0.00 176.35 173.54 1pum s PRO 261 N 2.75 4.52 -0.03 0.98 0.04 -1.26 -0.31 135.00 141.69 1pum s PRO 261 Ca 0.18 1.24 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1pum s PRO 261 Cb -0.15 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.94 1pum s PRO 261 CO -0.20 -0.02 -0.07 0.08 0.04 0.00 0.00 177.00 176.83 1pum s VAL 262 N 0.96 0.69 -2.00 -0.36 1.01 0.55 -4.92 120.40 116.33 1pum s VAL 262 Ca 0.47 -0.27 0.13 0.00 0.00 0.00 0.00 61.98 62.31 1pum s VAL 262 Cb -0.20 -0.64 0.37 0.00 0.00 0.00 0.00 36.38 35.91 1pum s VAL 262 CO 0.25 0.23 1.20 -0.81 0.00 0.00 0.00 175.10 175.97