#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk0 s SER 2 N 0.00 6.42 -0.26 1.61 0.01 -1.26 -4.89 113.70 115.32 1wk0 s SER 2 Ca 0.00 0.01 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 1wk0 s SER 2 Cb 0.00 -2.35 -0.15 0.00 0.21 0.00 0.00 66.02 63.73 1wk0 s SER 2 CO 0.00 -0.73 -0.28 -0.24 0.41 0.00 0.00 173.24 172.40 1wk0 n SER 3 N 6.30 1.98 0.00 2.44 2.88 -1.26 -5.12 113.62 120.84 1wk0 n SER 3 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 1wk0 n SER 3 Cb 0.48 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.37 1wk0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk0 n GLY 4 N 1.87 0.00 3.75 0.46 0.00 -1.26 -5.11 105.19 104.90 1wk0 n GLY 4 Ca -0.49 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1wk0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk0 s SER 5 N -4.00 6.81 -0.51 1.61 0.01 -1.26 -4.99 113.70 111.37 1wk0 s SER 5 Ca 0.00 2.53 0.04 0.00 1.31 0.00 0.00 55.95 59.83 1wk0 s SER 5 Cb 0.00 -2.62 0.13 0.00 0.21 0.00 0.00 66.02 63.74 1wk0 s SER 5 CO 0.00 -0.57 0.25 -0.94 0.41 0.00 0.00 173.24 172.39 1wk0 s SER 6 N 0.16 4.27 -0.68 2.44 1.04 -1.26 -4.90 113.70 114.77 1wk0 s SER 6 Ca 0.56 -2.96 -0.14 0.00 0.48 0.00 0.00 55.95 53.89 1wk0 s SER 6 Cb -0.39 -1.59 0.02 0.00 0.10 0.00 0.00 66.02 64.16 1wk0 s SER 6 CO 0.42 -0.24 0.63 0.61 0.98 0.00 0.00 173.24 175.65 1wk0 n GLY 7 N 3.17 -0.82 0.30 7.32 0.00 -1.26 -4.81 105.19 109.09 1wk0 n GLY 7 Ca 0.05 0.81 0.04 0.00 0.00 0.00 0.00 46.02 46.92 1wk0 n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wk0 h ASP 8 N 0.66 0.63 -1.00 1.61 3.32 -2.01 -1.69 116.42 117.94 1wk0 h ASP 8 Ca -0.53 0.06 0.40 0.00 0.02 0.00 0.00 57.03 56.97 1wk0 h ASP 8 Cb 1.35 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 40.69 1wk0 h ASP 8 CO 0.31 0.34 0.58 -0.62 -1.72 0.00 0.00 179.24 178.13 1wk0 n GLU 9 N -4.78 -0.05 -0.07 3.56 1.02 -1.26 0.17 120.64 119.23 1wk0 n GLU 9 Ca 0.14 1.23 -0.13 0.00 -0.02 0.00 0.00 57.16 58.38 1wk0 n GLU 9 Cb 0.31 -2.26 -0.06 0.00 -0.02 0.00 0.00 31.44 29.42 1wk0 n GLU 9 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wk0 h GLU 10 N 0.00 0.46 -0.78 3.49 5.08 -1.62 -3.07 114.58 118.14 1wk0 h GLU 10 Ca 0.78 -0.23 0.11 0.00 -1.00 0.00 0.00 59.36 59.02 1wk0 h GLU 10 Cb 2.20 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.37 1wk0 h GLU 10 CO -0.63 0.79 0.40 1.15 -1.00 0.00 0.00 179.01 179.72 1wk0 h THR 11 N 0.13 0.82 0.76 1.13 2.02 0.16 -2.27 112.91 115.66 1wk0 h THR 11 Ca 0.04 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1wk0 h THR 11 Cb 0.69 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1wk0 h THR 11 CO 0.04 0.12 -0.50 0.11 0.37 0.00 0.00 175.52 175.66 1wk0 h LYS 12 N 0.64 -1.14 -1.15 6.66 1.57 -1.33 -0.41 116.57 121.41 1wk0 h LYS 12 Ca 0.39 0.08 0.33 0.00 -1.87 0.00 0.00 60.65 59.58 1wk0 h LYS 12 Cb 0.45 0.26 -0.08 0.00 0.08 0.00 0.00 32.23 32.94 1wk0 h LYS 12 CO -0.29 -0.76 0.78 0.00 -0.57 0.00 0.00 179.45 178.60 1wk0 h ALA 13 N -1.12 2.68 -0.13 3.86 0.00 -1.39 0.39 119.26 123.56 1wk0 h ALA 13 Ca -0.10 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1wk0 h ALA 13 Cb 0.96 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1wk0 h ALA 13 CO 0.08 -1.09 -0.82 0.74 0.00 0.00 0.00 179.25 178.15 1wk0 h PHE 14 N 0.19 1.08 0.00 0.00 0.04 -0.82 0.24 116.94 117.66 1wk0 h PHE 14 Ca 0.62 -0.49 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1wk0 h PHE 14 Cb 1.99 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 39.98 1wk0 h PHE 14 CO -0.00 1.33 -0.02 0.93 -0.60 0.00 0.00 178.31 179.95 1wk0 h GLU 15 N 0.52 0.00 0.04 1.51 5.08 0.14 0.25 114.58 122.12 1wk0 h GLU 15 Ca -0.06 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.96 1wk0 h GLU 15 Cb 1.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.67 1wk0 h GLU 15 CO 0.17 0.02 -1.89 0.00 -1.00 0.00 0.00 179.01 176.31 1wk0 n ALA 16 N -2.53 0.98 0.15 3.43 0.00 -0.83 -3.82 120.51 117.89 1wk0 n ALA 16 Ca -0.03 -0.71 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 1wk0 n ALA 16 Cb 0.11 -0.41 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 1wk0 n ALA 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wk0 h LEU 17 N -0.53 -0.29 -2.40 0.00 5.85 -0.41 -2.18 115.31 115.35 1wk0 h LEU 17 Ca -0.47 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.21 1wk0 h LEU 17 Cb 1.67 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.77 1wk0 h LEU 17 CO -0.14 -0.12 0.13 -0.07 -0.34 0.00 0.00 178.44 177.90 1wk0 h LEU 18 N -0.44 0.00 -3.71 2.25 3.38 -0.71 0.60 115.31 116.69 1wk0 h LEU 18 Ca -0.03 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 1wk0 h LEU 18 Cb 0.33 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 40.87 1wk0 h LEU 18 CO 0.06 0.00 0.32 -1.54 0.09 0.00 0.00 178.44 177.37 1wk0 n SER 19 N -3.59 3.24 -0.54 -0.43 3.41 -0.87 -3.99 113.62 110.85 1wk0 n SER 19 Ca -0.01 -3.67 0.07 0.00 -0.26 0.00 0.00 58.87 55.00 1wk0 n SER 19 Cb 0.23 -0.75 0.17 0.00 -0.26 0.00 0.00 64.21 63.60 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1wk0 n ASN 20 N -1.10 1.75 -3.39 4.04 5.15 0.20 -4.87 115.26 117.05 1wk0 n ASN 20 Ca 0.48 -3.48 -0.13 0.00 -0.60 0.00 0.00 54.58 50.85 1wk0 n ASN 20 Cb 1.39 -0.47 0.07 0.00 -0.53 0.00 0.00 39.78 40.24 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1wk0 n ILE 21 N -1.02 0.00 -5.02 -1.44 -0.00 -1.26 -2.37 119.36 108.25 1wk0 n ILE 21 Ca 0.16 -0.85 -0.31 0.00 -0.00 0.00 0.00 62.75 61.76 1wk0 n ILE 21 Cb 0.72 -1.17 -0.15 0.00 -0.00 0.00 0.00 39.64 39.04 1wk0 n ILE 21 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1wk0 s VAL 22 N -1.73 2.32 0.27 7.28 0.11 -1.26 -4.87 120.40 122.51 1wk0 s VAL 22 Ca 0.38 -1.17 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 1wk0 s VAL 22 Cb -0.02 -1.88 -0.15 0.00 -1.53 0.00 0.00 36.38 32.81 1wk0 s VAL 22 CO 0.25 0.47 0.97 2.29 -3.33 0.00 0.00 175.10 175.76 1wk0 n LYS 23 N 2.06 1.19 -2.23 1.54 2.85 -1.26 -4.47 118.16 117.83 1wk0 n LYS 23 Ca -0.16 0.42 -0.41 0.00 -1.05 0.00 0.00 58.31 57.10 1wk0 n LYS 23 Cb 0.52 -1.76 -0.03 0.00 -0.65 0.00 0.00 35.03 33.11 1wk0 n LYS 23 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1wk0 s PRO 24 N -1.37 4.41 -0.01 -1.58 0.04 -1.26 -4.83 135.00 130.40 1wk0 s PRO 24 Ca 0.61 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.60 1wk0 s PRO 24 Cb -0.74 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1wk0 s PRO 24 CO 0.59 -0.18 0.31 0.08 0.04 0.00 0.00 177.00 177.83 1wk0 s VAL 25 N -0.27 5.22 -0.21 -0.36 1.01 -0.17 -4.70 120.40 120.93 1wk0 s VAL 25 Ca 0.54 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.88 1wk0 s VAL 25 Cb -0.36 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1wk0 s VAL 25 CO 0.41 0.49 0.13 0.00 0.00 0.00 0.00 175.10 176.14 1wk0 s ALA 26 N -1.17 3.66 0.29 5.51 0.00 -1.26 -0.94 121.76 127.84 1wk0 s ALA 26 Ca 0.24 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.50 1wk0 s ALA 26 Cb -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1wk0 s ALA 26 CO 0.12 0.09 0.17 -1.54 0.00 0.00 0.00 175.76 174.61 1wk0 s SER 27 N 0.49 1.28 -0.70 0.00 1.04 0.79 -4.84 113.70 111.76 1wk0 s SER 27 Ca 0.08 -1.55 -0.09 0.00 0.48 0.00 0.00 55.95 54.87 1wk0 s SER 27 Cb -0.12 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.50 1wk0 s SER 27 CO -0.01 -0.90 0.22 -0.67 0.98 0.00 0.00 173.24 172.86 1wk0 n ASP 28 N -0.89 -1.03 -4.65 7.02 -0.08 -1.26 -1.16 116.55 114.50 1wk0 n ASP 28 Ca 0.02 -0.29 -0.46 0.00 -1.51 0.00 0.00 54.79 52.56 1wk0 n ASP 28 Cb 0.65 -0.94 -0.03 0.00 2.34 0.00 0.00 41.12 43.13 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1wk0 n ILE 29 N -2.45 0.86 -4.30 5.18 5.41 -1.26 -4.28 119.36 118.52 1wk0 n ILE 29 Ca 0.04 -0.21 -0.14 0.00 1.00 0.00 0.00 62.75 63.44 1wk0 n ILE 29 Cb 0.34 -1.37 -0.03 0.00 -0.71 0.00 0.00 39.64 37.87 1wk0 n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wk0 n GLN 30 N 2.09 1.04 0.00 0.38 6.02 0.27 -4.77 117.38 122.42 1wk0 n GLN 30 Ca 0.13 -1.77 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 1wk0 n GLN 30 Cb 0.30 0.74 0.00 0.00 1.02 0.00 0.00 30.24 32.30 1wk0 n GLN 30 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk0 n ALA 31 N -2.11 0.00 -0.01 -1.58 0.00 -1.26 -3.56 120.51 111.99 1wk0 n ALA 31 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.36 1wk0 n ALA 31 Cb 0.31 0.45 -0.02 0.00 0.00 0.00 0.00 19.45 20.19 1wk0 n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wk0 n ARG 32 N -2.85 1.22 -3.57 0.00 1.74 -1.26 -3.59 116.66 108.35 1wk0 n ARG 32 Ca 0.00 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 1wk0 n ARG 32 Cb 0.00 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1wk0 n ARG 32 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wk0 s THR 33 N -2.16 5.08 0.11 0.55 -4.23 -1.26 -3.84 115.64 109.89 1wk0 s THR 33 Ca -0.01 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.61 1wk0 s THR 33 Cb 0.02 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.26 1wk0 s THR 33 CO 0.12 0.05 0.35 0.68 -0.54 0.00 0.00 174.62 175.29 1wk0 s VAL 34 N -1.66 0.08 -0.46 2.29 -7.23 -1.23 0.97 120.40 113.17 1wk0 s VAL 34 Ca 0.42 -0.70 -0.13 0.00 -1.81 0.00 0.00 61.98 59.76 1wk0 s VAL 34 Cb -0.12 -1.18 0.09 0.00 0.56 0.00 0.00 36.38 35.72 1wk0 s VAL 34 CO 0.22 -0.39 0.36 -0.69 -0.31 0.00 0.00 175.10 174.30 1wk0 s VAL 35 N -3.70 4.79 -0.33 1.32 1.01 -0.30 -1.98 120.40 121.21 1wk0 s VAL 35 Ca 0.03 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.56 1wk0 s VAL 35 Cb 0.02 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1wk0 s VAL 35 CO -0.11 -0.61 0.34 -0.22 0.00 0.00 0.00 175.10 174.50 1wk0 s LEU 36 N 1.53 4.36 -0.14 3.92 2.96 -0.58 -0.15 118.68 130.58 1wk0 s LEU 36 Ca 0.04 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1wk0 s LEU 36 Cb -0.25 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.14 1wk0 s LEU 36 CO 0.04 -0.29 -0.21 -0.89 -1.32 0.00 0.00 176.35 173.69 1wk0 s THR 37 N 1.98 2.19 0.08 3.68 2.01 -0.12 -1.86 115.64 123.60 1wk0 s THR 37 Ca 0.11 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.20 1wk0 s THR 37 Cb -0.16 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 1wk0 s THR 37 CO 0.11 0.54 -0.09 -1.66 -0.69 0.00 0.00 174.62 172.84 1wk0 s TRP 38 N 0.79 0.92 0.20 4.92 -2.14 -1.16 -1.00 118.94 121.48 1wk0 s TRP 38 Ca -0.07 -0.65 0.03 0.00 2.66 0.00 0.00 56.10 58.06 1wk0 s TRP 38 Cb -0.16 -0.52 -0.03 0.00 -3.10 0.00 0.00 33.47 29.66 1wk0 s TRP 38 CO -0.01 -0.05 0.34 -1.12 -2.66 0.00 0.00 176.95 173.45 1wk0 s SER 39 N -2.28 6.34 0.86 -2.66 0.01 -1.26 -4.68 113.70 110.03 1wk0 s SER 39 Ca 0.02 0.18 -0.11 0.00 1.31 0.00 0.00 55.95 57.35 1wk0 s SER 39 Cb -0.04 -1.91 0.11 0.00 0.21 0.00 0.00 66.02 64.39 1wk0 s SER 39 CO -0.01 -0.03 1.09 -2.16 0.41 0.00 0.00 173.24 172.54 1wk0 s PRO 40 N -3.60 1.51 0.66 12.44 0.04 -1.26 -4.05 135.00 140.74 1wk0 s PRO 40 Ca 0.35 0.91 -0.15 0.00 0.04 0.00 0.00 61.00 62.15 1wk0 s PRO 40 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1wk0 s PRO 40 CO 0.29 -2.09 1.11 -1.25 0.04 0.00 0.00 177.00 175.10 1wk0 s PRO 41 N -4.93 2.77 -0.27 0.56 0.04 -1.26 -4.63 135.00 127.28 1wk0 s PRO 41 Ca 0.63 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.92 1wk0 s PRO 41 Cb -0.18 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1wk0 s PRO 41 CO 0.57 -1.27 0.29 -1.12 0.04 0.00 0.00 177.00 175.51 1wk0 s SER 42 N -2.62 6.17 -0.02 6.66 0.01 -1.00 -4.92 113.70 117.97 1wk0 s SER 42 Ca 0.67 0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.80 1wk0 s SER 42 Cb -0.20 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1wk0 s SER 42 CO 0.42 -0.11 1.28 -0.94 0.41 0.00 0.00 173.24 174.30 1wk0 s SER 43 N 1.62 6.97 -0.09 2.44 1.04 -1.26 -4.83 113.70 119.60 1wk0 s SER 43 Ca 0.12 1.95 0.17 0.00 0.48 0.00 0.00 55.95 58.67 1wk0 s SER 43 Cb -0.16 -2.56 0.66 0.00 0.10 0.00 0.00 66.02 64.06 1wk0 s SER 43 CO 0.10 -0.63 1.55 0.18 0.98 0.00 0.00 173.24 175.42 1wk0 n LEU 44 N 5.16 4.30 0.27 2.42 4.77 -1.26 -4.42 117.00 128.24 1wk0 n LEU 44 Ca 0.12 -2.17 0.13 0.00 -0.03 0.00 0.00 56.01 54.06 1wk0 n LEU 44 Cb 0.45 -0.54 0.70 0.00 -2.33 0.00 0.00 43.42 41.71 1wk0 n LEU 44 CO 0.56 0.78 1.00 0.40 -1.33 0.00 0.00 177.39 178.80 1wk0 h ILE 45 N 3.81 0.00 -0.87 -0.08 2.04 -1.99 -3.45 117.51 116.99 1wk0 h ILE 45 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1wk0 h ILE 45 Cb 1.29 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1wk0 h ILE 45 CO 0.18 0.00 -0.19 -3.20 0.00 0.00 0.00 178.15 174.94 1wk0 n ASN 46 N -2.59 -3.36 0.00 1.72 5.15 -1.26 -2.61 115.26 112.31 1wk0 n ASN 46 Ca -0.02 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 1wk0 n ASN 46 Cb 0.29 -2.24 0.00 0.00 -0.53 0.00 0.00 39.78 37.30 1wk0 n ASN 46 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wk0 n GLY 47 N -1.39 2.41 0.42 8.20 0.00 -1.26 -4.82 105.19 108.74 1wk0 n GLY 47 Ca -0.09 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.10 1wk0 n GLY 47 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1wk0 h GLU 48 N 1.71 0.00 -6.19 1.61 4.81 -1.89 -3.39 114.58 111.24 1wk0 h GLU 48 Ca 0.00 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.64 1wk0 h GLU 48 Cb 0.00 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.22 1wk0 h GLU 48 CO 0.00 0.00 -0.78 -0.08 -0.73 0.00 0.00 179.01 177.42 1wk0 s THR 49 N -4.29 2.24 1.03 0.32 -1.32 -1.26 -5.13 115.64 107.24 1wk0 s THR 49 Ca -0.02 -2.21 -0.18 0.00 -1.21 0.00 0.00 61.69 58.07 1wk0 s THR 49 Cb 0.09 -2.15 0.01 0.00 -1.51 0.00 0.00 72.50 68.95 1wk0 s THR 49 CO 0.32 -0.34 -0.18 -0.67 -2.21 0.00 0.00 174.62 171.54 1wk0 n ASP 50 N -0.21 -2.84 -0.04 8.08 2.03 -1.26 -4.94 116.55 117.37 1wk0 n ASP 50 Ca -0.09 0.08 -0.12 0.00 0.52 0.00 0.00 54.79 55.18 1wk0 n ASP 50 Cb 0.58 -0.95 -0.14 0.00 -0.72 0.00 0.00 41.12 39.89 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wk0 n GLU 51 N -0.74 0.67 -1.06 -0.67 4.71 -1.26 -4.21 120.64 118.08 1wk0 n GLU 51 Ca 0.02 0.22 -0.23 0.00 -0.01 0.00 0.00 57.16 57.16 1wk0 n GLU 51 Cb 0.60 -1.70 0.05 0.00 -1.01 0.00 0.00 31.44 29.38 1wk0 n GLU 51 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1wk0 n SER 52 N -3.10 6.92 0.01 1.62 2.88 -1.26 -4.21 113.62 116.48 1wk0 n SER 52 Ca -0.25 -3.33 -0.01 0.00 -1.33 0.00 0.00 58.87 53.95 1wk0 n SER 52 Cb 1.07 -1.03 -0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1wk0 n SER 52 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wk0 n SER 53 N -0.10 0.44 -4.53 -3.46 3.41 -1.26 -5.04 113.62 103.08 1wk0 n SER 53 Ca 0.42 0.06 -0.52 0.00 -0.26 0.00 0.00 58.87 58.57 1wk0 n SER 53 Cb 0.60 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1wk0 n VAL 54 N -3.22 0.75 -2.14 -3.33 0.24 -1.26 -4.90 118.33 104.47 1wk0 n VAL 54 Ca -0.02 -0.19 -0.35 0.00 -2.04 0.00 0.00 64.34 61.74 1wk0 n VAL 54 Cb 0.37 -0.50 0.01 0.00 -1.47 0.00 0.00 33.84 32.25 1wk0 n VAL 54 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wk0 s PRO 55 N -0.30 3.22 -0.07 7.34 0.04 -1.26 -4.97 135.00 139.00 1wk0 s PRO 55 Ca 0.77 1.56 0.11 0.00 0.04 0.00 0.00 61.00 63.48 1wk0 s PRO 55 Cb -0.98 -1.99 0.17 0.00 0.04 0.00 0.00 34.50 31.73 1wk0 s PRO 55 CO 0.53 -0.94 1.08 -0.85 0.04 0.00 0.00 177.00 176.86 1wk0 n GLU 56 N -1.57 1.96 -0.91 4.56 0.00 -1.26 -4.63 120.64 118.78 1wk0 n GLU 56 Ca 0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 57.16 55.14 1wk0 n GLU 56 Cb 0.51 -1.27 0.29 0.00 0.00 0.00 0.00 31.44 30.97 1wk0 n GLU 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1wk0 n LEU 57 N -1.03 5.57 -4.53 -1.84 7.99 -1.26 -4.89 117.00 117.02 1wk0 n LEU 57 Ca 0.09 -3.25 -0.38 0.00 -0.01 0.00 0.00 56.01 52.46 1wk0 n LEU 57 Cb 0.48 -0.70 -0.08 0.00 -0.11 0.00 0.00 43.42 43.00 1wk0 n LEU 57 CO 0.01 0.83 2.12 -1.22 -1.51 0.00 0.00 177.39 177.62 1wk0 n TYR 58 N -0.29 1.04 -1.48 -1.77 4.01 -1.26 -4.74 117.16 112.67 1wk0 n TYR 58 Ca 0.37 0.24 -0.46 0.00 -0.16 0.00 0.00 57.90 57.89 1wk0 n TYR 58 Cb 1.28 -2.52 -0.07 0.00 -0.31 0.00 0.00 39.34 37.71 1wk0 n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wk0 n GLY 59 N 6.23 0.32 3.70 2.72 0.00 -0.57 -4.65 105.19 112.95 1wk0 n GLY 59 Ca 0.50 0.90 -0.36 0.00 0.00 0.00 0.00 46.02 47.06 1wk0 n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wk0 s TYR 60 N 8.60 3.40 -0.15 1.61 2.02 0.90 -0.92 117.35 132.80 1wk0 s TYR 60 Ca 1.11 0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 58.24 1wk0 s TYR 60 Cb -0.75 -2.31 -0.01 0.00 -0.40 0.00 0.00 41.96 38.49 1wk0 s TYR 60 CO 0.44 0.17 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.47 1wk0 s GLU 61 N 0.72 3.36 -0.25 -0.62 2.12 -0.20 -2.44 118.70 121.39 1wk0 s GLU 61 Ca 0.12 -0.68 -0.21 0.00 0.36 0.00 0.00 54.97 54.56 1wk0 s GLU 61 Cb -0.13 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.53 1wk0 s GLU 61 CO 0.03 0.09 0.66 0.08 -0.54 0.00 0.00 175.26 175.58 1wk0 s VAL 62 N 0.68 4.96 -0.03 3.70 1.01 -1.01 -1.83 120.40 127.87 1wk0 s VAL 62 Ca -0.06 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.14 1wk0 s VAL 62 Cb -0.15 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1wk0 s VAL 62 CO 0.02 0.02 -0.05 -0.76 0.00 0.00 0.00 175.10 174.33 1wk0 s LEU 63 N 2.52 3.25 -0.01 3.92 1.43 0.60 -2.65 118.68 127.75 1wk0 s LEU 63 Ca 0.28 -0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1wk0 s LEU 63 Cb -0.15 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.27 1wk0 s LEU 63 CO 0.08 0.32 0.10 0.27 0.23 0.00 0.00 176.35 177.36 1wk0 s ILE 64 N -0.92 0.06 -0.55 -0.59 -4.36 -0.82 -1.35 121.20 112.67 1wk0 s ILE 64 Ca 0.15 -0.53 0.05 0.00 -0.26 0.00 0.00 60.65 60.06 1wk0 s ILE 64 Cb -0.11 -0.32 0.20 0.00 1.25 0.00 0.00 42.46 43.47 1wk0 s ILE 64 CO 0.05 -0.29 0.50 -1.54 0.24 0.00 0.00 174.94 173.90 1wk0 n SER 65 N 1.94 1.61 -0.59 4.36 3.41 -1.16 -0.69 113.62 122.49 1wk0 n SER 65 Ca -0.20 -2.91 0.45 0.00 -0.26 0.00 0.00 58.87 55.94 1wk0 n SER 65 Cb 0.56 -0.66 0.69 0.00 -0.26 0.00 0.00 64.21 64.54 1wk0 n SER 65 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wk0 n SER 66 N 1.91 0.00 -0.02 4.04 3.41 -1.26 0.17 113.62 121.87 1wk0 n SER 66 Ca 0.25 0.84 -0.01 0.00 -0.26 0.00 0.00 58.87 59.69 1wk0 n SER 66 Cb 0.43 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1wk0 n SER 66 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1wk0 h THR 67 N 0.00 0.04 0.00 6.66 2.02 -1.91 -3.44 112.91 116.29 1wk0 h THR 67 Ca 0.79 -0.98 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1wk0 h THR 67 Cb 3.16 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1wk0 h THR 67 CO -0.02 0.01 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1wk0 n GLY 68 N 1.61 0.83 0.01 2.16 0.00 0.13 -4.98 105.19 104.94 1wk0 n GLY 68 Ca -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.29 1wk0 n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wk0 n LYS 69 N -0.19 0.02 -1.31 1.61 2.85 -1.26 -2.53 118.16 117.35 1wk0 n LYS 69 Ca 0.00 0.26 -0.22 0.00 -1.05 0.00 0.00 58.31 57.30 1wk0 n LYS 69 Cb 0.00 -1.54 0.12 0.00 -0.65 0.00 0.00 35.03 32.96 1wk0 n LYS 69 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wk0 n ASP 70 N -1.58 4.88 0.00 -5.58 8.00 -1.26 -4.90 116.55 116.10 1wk0 n ASP 70 Ca 0.04 -3.75 0.00 0.00 0.71 0.00 0.00 54.79 51.78 1wk0 n ASP 70 Cb 0.19 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1wk0 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wk0 n GLY 71 N -0.98 3.25 3.21 0.44 0.00 -1.05 -5.16 105.19 104.91 1wk0 n GLY 71 Ca 0.50 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1wk0 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wk0 s LYS 72 N 2.48 1.53 -0.11 1.61 2.20 -1.26 -5.06 119.74 121.14 1wk0 s LYS 72 Ca 0.00 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 54.82 1wk0 s LYS 72 Cb 0.00 -1.52 -0.04 0.00 -1.51 0.00 0.00 37.83 34.77 1wk0 s LYS 72 CO 0.00 0.41 0.05 0.71 -0.36 0.00 0.00 175.35 176.16 1wk0 s TYR 73 N -0.54 3.30 0.12 4.03 1.51 -1.26 -4.35 117.35 120.16 1wk0 s TYR 73 Ca 0.07 0.28 0.10 0.00 -1.01 0.00 0.00 57.07 56.51 1wk0 s TYR 73 Cb -0.08 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 1wk0 s TYR 73 CO -0.00 0.52 -0.22 0.21 -1.11 0.00 0.00 175.55 174.94 1wk0 s LYS 74 N -0.79 1.63 -0.07 -0.62 2.20 0.13 -4.88 119.74 117.34 1wk0 s LYS 74 Ca 0.13 -1.24 -0.22 0.00 -0.36 0.00 0.00 55.97 54.28 1wk0 s LYS 74 Cb -0.12 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.14 1wk0 s LYS 74 CO 0.03 0.47 0.64 0.45 -0.36 0.00 0.00 175.35 176.58 1wk0 s SER 75 N -2.04 6.92 -0.11 1.43 0.15 -1.26 -1.94 113.70 116.85 1wk0 s SER 75 Ca 0.16 1.10 0.04 0.00 0.70 0.00 0.00 55.95 57.95 1wk0 s SER 75 Cb -0.10 -2.38 -0.09 0.00 -1.71 0.00 0.00 66.02 61.74 1wk0 s SER 75 CO 0.08 -0.07 -0.05 1.33 1.20 0.00 0.00 173.24 175.73 1wk0 n VAL 76 N 3.65 0.65 -3.75 4.45 0.24 -1.09 -5.03 118.33 117.45 1wk0 n VAL 76 Ca -0.03 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.34 61.86 1wk0 n VAL 76 Cb 0.51 -0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 31.97 1wk0 n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1wk0 s TYR 77 N -2.23 -0.03 -0.26 6.34 6.14 -1.26 -4.88 117.35 121.18 1wk0 s TYR 77 Ca -0.11 -0.31 -0.05 0.00 0.64 0.00 0.00 57.07 57.23 1wk0 s TYR 77 Cb 0.03 0.09 0.14 0.00 0.42 0.00 0.00 41.96 42.64 1wk0 s TYR 77 CO 0.31 -0.60 0.52 0.08 0.64 0.00 0.00 175.55 176.51 1wk0 s VAL 78 N -3.62 -0.83 0.00 3.14 1.01 -1.26 -2.41 120.40 116.43 1wk0 s VAL 78 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1wk0 s VAL 78 Cb 0.03 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1wk0 s VAL 78 CO -0.10 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1wk0 n GLY 79 N 5.41 2.21 0.10 4.51 0.00 -1.02 -5.00 105.19 111.41 1wk0 n GLY 79 Ca -0.06 -0.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1wk0 n GLY 79 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wk0 n GLU 80 N 0.00 0.84 -0.79 1.61 4.71 -1.26 -0.07 120.64 125.68 1wk0 n GLU 80 Ca 0.00 0.03 -0.34 0.00 -0.01 0.00 0.00 57.16 56.84 1wk0 n GLU 80 Cb 0.00 -1.48 0.12 0.00 -1.01 0.00 0.00 31.44 29.07 1wk0 n GLU 80 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1wk0 n GLU 81 N -2.83 -0.86 -0.09 3.49 -0.58 -1.26 -4.65 120.64 113.86 1wk0 n GLU 81 Ca -0.34 -0.23 -0.15 0.00 -0.42 0.00 0.00 57.16 56.02 1wk0 n GLU 81 Cb 1.07 -1.53 -0.14 0.00 -0.57 0.00 0.00 31.44 30.28 1wk0 n GLU 81 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1wk0 n THR 82 N -3.88 1.52 -4.39 2.62 -2.24 -1.26 -4.80 114.28 101.84 1wk0 n THR 82 Ca 0.01 -0.69 -0.34 0.00 -2.27 0.00 0.00 64.05 60.76 1wk0 n THR 82 Cb 0.63 -1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 67.60 1wk0 n THR 82 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wk0 s ASN 83 N -6.24 4.85 0.03 3.42 3.84 -1.26 -2.96 114.94 116.61 1wk0 s ASN 83 Ca -0.23 -0.11 -0.10 0.00 0.21 0.00 0.00 52.86 52.64 1wk0 s ASN 83 Cb 0.08 -1.76 0.01 0.00 -0.55 0.00 0.00 41.25 39.02 1wk0 s ASN 83 CO 0.72 0.18 0.21 0.27 -2.79 0.00 0.00 177.10 175.69 1wk0 s ILE 84 N 0.28 0.10 -0.18 -5.21 -5.25 -0.78 -5.02 121.20 105.13 1wk0 s ILE 84 Ca -0.03 -0.80 -0.07 0.00 -0.99 0.00 0.00 60.65 58.76 1wk0 s ILE 84 Cb -0.14 -0.82 -0.04 0.00 2.95 0.00 0.00 42.46 44.42 1wk0 s ILE 84 CO 0.03 -0.44 0.06 -0.89 -1.79 0.00 0.00 174.94 171.91 1wk0 s THR 85 N -2.27 4.76 0.55 8.37 2.01 -1.26 -1.53 115.64 126.27 1wk0 s THR 85 Ca -0.07 -0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.78 1wk0 s THR 85 Cb -0.02 -3.14 -0.05 0.00 0.01 0.00 0.00 72.50 69.30 1wk0 s THR 85 CO -0.02 0.47 0.94 -0.76 -0.69 0.00 0.00 174.62 174.56 1wk0 s LEU 86 N 0.31 3.44 0.20 4.42 1.02 -0.84 -4.90 118.68 122.33 1wk0 s LEU 86 Ca 0.03 1.30 -0.11 0.00 0.02 0.00 0.00 54.13 55.37 1wk0 s LEU 86 Cb -0.12 -4.30 -0.00 0.00 0.02 0.00 0.00 46.19 41.79 1wk0 s LEU 86 CO 0.00 -0.71 0.37 0.20 0.02 0.00 0.00 176.35 176.23 1wk0 s ASN 87 N -3.89 -0.04 -1.29 2.29 -0.87 -1.26 -3.52 114.94 106.36 1wk0 s ASN 87 Ca 0.53 -0.86 -0.04 0.00 -1.57 0.00 0.00 52.86 50.92 1wk0 s ASN 87 Cb -0.11 0.50 0.00 0.00 -0.02 0.00 0.00 41.25 41.63 1wk0 s ASN 87 CO 0.46 -0.99 0.51 0.47 -2.57 0.00 0.00 177.10 174.98 1wk0 n ASP 88 N -0.29 -5.37 -4.79 -1.22 8.00 -1.26 -5.01 116.55 106.61 1wk0 n ASP 88 Ca -0.05 -0.24 -0.22 0.00 0.71 0.00 0.00 54.79 54.98 1wk0 n ASP 88 Cb 0.63 -4.21 0.10 0.00 -0.02 0.00 0.00 41.12 37.62 1wk0 n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wk0 s LEU 89 N -5.62 2.97 -0.22 0.64 1.43 -1.25 -5.10 118.68 111.54 1wk0 s LEU 89 Ca 0.25 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1wk0 s LEU 89 Cb -0.11 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 1wk0 s LEU 89 CO 0.31 -1.76 -0.04 -0.54 0.23 0.00 0.00 176.35 174.55 1wk0 s LYS 90 N -5.00 3.42 0.82 1.70 3.01 -1.26 -4.75 119.74 117.67 1wk0 s LYS 90 Ca 0.66 -0.61 -0.11 0.00 -1.01 0.00 0.00 55.97 54.90 1wk0 s LYS 90 Cb -0.05 -3.01 0.08 0.00 -1.01 0.00 0.00 37.83 33.84 1wk0 s LYS 90 CO 0.43 -0.16 1.09 -1.25 0.51 0.00 0.00 175.35 175.98 1wk0 s PRO 91 N 1.38 1.89 -1.51 -1.68 0.04 -1.24 -3.64 135.00 130.25 1wk0 s PRO 91 Ca 0.05 1.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 1wk0 s PRO 91 Cb -0.14 -1.86 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1wk0 s PRO 91 CO -0.02 -1.87 0.74 0.00 0.04 0.00 0.00 177.00 175.89 1wk0 n ALA 92 N -3.66 -1.18 -2.42 8.56 0.00 0.63 -4.89 120.51 117.55 1wk0 n ALA 92 Ca 0.08 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.41 1wk0 n ALA 92 Cb 0.54 -3.56 -0.11 0.00 0.00 0.00 0.00 19.45 16.33 1wk0 n ALA 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1wk0 s MET 93 N -6.50 1.60 -0.10 0.00 0.00 -1.24 -4.97 119.30 108.09 1wk0 s MET 93 Ca 0.60 -1.88 -0.03 0.00 0.00 0.00 0.00 55.69 54.37 1wk0 s MET 93 Cb -0.31 -0.74 0.04 0.00 0.00 0.00 0.00 34.83 33.82 1wk0 s MET 93 CO 0.74 -0.21 0.08 0.34 0.00 0.00 0.00 175.02 175.96 1wk0 s ASP 94 N -3.45 1.68 0.21 1.11 2.15 -1.26 -2.17 116.67 114.93 1wk0 s ASP 94 Ca 0.37 -0.23 -0.01 0.00 0.43 0.00 0.00 52.55 53.11 1wk0 s ASP 94 Cb 0.09 -0.17 -0.04 0.00 -0.30 0.00 0.00 42.92 42.50 1wk0 s ASP 94 CO 0.15 -0.30 0.16 -0.72 -0.17 0.00 0.00 175.17 174.29 1wk0 s TYR 95 N 2.16 1.14 0.22 -5.34 1.13 -1.24 -4.91 117.35 110.51 1wk0 s TYR 95 Ca 0.04 -1.35 0.05 0.00 -1.41 0.00 0.00 57.07 54.39 1wk0 s TYR 95 Cb -0.14 -0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 40.17 1wk0 s TYR 95 CO -0.06 -0.67 0.29 -1.01 -2.51 0.00 0.00 175.55 171.59 1wk0 s HIS 96 N -4.11 3.35 0.06 -3.49 3.76 -1.26 -2.00 115.29 111.60 1wk0 s HIS 96 Ca 0.38 -0.02 -0.00 0.00 -0.15 0.00 0.00 55.06 55.27 1wk0 s HIS 96 Cb 0.06 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 1wk0 s HIS 96 CO 0.13 0.48 -0.04 0.00 -0.85 0.00 0.00 174.74 174.45 1wk0 s ALA 97 N -1.96 0.64 0.07 -1.40 0.00 -0.82 -2.99 121.76 115.30 1wk0 s ALA 97 Ca 0.34 -1.24 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 1wk0 s ALA 97 Cb -0.09 0.24 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1wk0 s ALA 97 CO 0.27 -0.33 0.44 0.15 0.00 0.00 0.00 175.76 176.30 1wk0 s LYS 98 N -3.85 1.00 -0.14 0.00 1.02 -0.46 -0.17 119.74 117.14 1wk0 s LYS 98 Ca 0.08 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1wk0 s LYS 98 Cb 0.07 0.45 0.02 0.00 -0.52 0.00 0.00 37.83 37.85 1wk0 s LYS 98 CO -0.08 -0.36 -0.13 0.54 -0.92 0.00 0.00 175.35 174.39 1wk0 s VAL 99 N -2.81 1.46 -0.08 3.17 0.11 -1.26 -0.29 120.40 120.70 1wk0 s VAL 99 Ca -0.03 -0.57 -0.02 0.00 -2.93 0.00 0.00 61.98 58.42 1wk0 s VAL 99 Cb -0.00 -1.38 -0.03 0.00 -1.53 0.00 0.00 36.38 33.43 1wk0 s VAL 99 CO -0.05 0.44 0.01 -1.58 -3.33 0.00 0.00 175.10 170.59 1wk0 s GLN 100 N 1.44 2.99 -0.09 1.54 0.74 -0.76 -2.92 119.66 122.61 1wk0 s GLN 100 Ca 0.03 -0.40 -0.06 0.00 0.05 0.00 0.00 55.36 54.99 1wk0 s GLN 100 Cb -0.13 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.13 1wk0 s GLN 100 CO -0.09 0.71 0.15 0.00 -0.55 0.00 0.00 175.29 175.50 1wk0 s ALA 101 N -0.90 3.88 -0.13 1.58 0.00 -1.26 -1.03 121.76 123.91 1wk0 s ALA 101 Ca 0.13 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1wk0 s ALA 101 Cb -0.11 -1.93 0.06 0.00 0.00 0.00 0.00 23.12 21.14 1wk0 s ALA 101 CO 0.03 0.66 0.27 -2.00 0.00 0.00 0.00 175.76 174.71 1wk0 s GLU 102 N -1.29 0.18 -0.05 0.00 2.56 -0.10 -1.57 118.70 118.43 1wk0 s GLU 102 Ca 0.18 0.71 -0.04 0.00 0.00 0.00 0.00 54.97 55.83 1wk0 s GLU 102 Cb -0.12 -0.04 0.02 0.00 2.00 0.00 0.00 34.13 35.99 1wk0 s GLU 102 CO 0.08 -0.25 0.13 -0.47 -0.56 0.00 0.00 175.26 174.19 1wk0 s TYR 103 N 2.11 -0.14 -1.16 5.30 6.14 -0.94 -1.51 117.35 127.14 1wk0 s TYR 103 Ca -0.02 0.38 -0.07 0.00 0.64 0.00 0.00 57.07 58.00 1wk0 s TYR 103 Cb -0.11 0.01 0.01 0.00 0.42 0.00 0.00 41.96 42.28 1wk0 s TYR 103 CO -0.09 -0.09 1.02 -1.71 0.64 0.00 0.00 175.55 175.31 1wk0 n ASN 104 N 3.34 -5.55 -1.76 4.32 5.15 -1.26 -1.76 115.26 117.74 1wk0 n ASN 104 Ca -0.16 -0.47 -0.18 0.00 -0.60 0.00 0.00 54.58 53.17 1wk0 n ASN 104 Cb 0.57 -4.42 -0.04 0.00 -0.53 0.00 0.00 39.78 35.36 1wk0 n ASN 104 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1wk0 n SER 105 N -2.43 -5.24 -4.09 1.20 7.64 -1.26 -4.96 113.62 104.48 1wk0 n SER 105 Ca -0.01 0.20 -0.34 0.00 1.01 0.00 0.00 58.87 59.73 1wk0 n SER 105 Cb 0.56 -4.32 -0.13 0.00 -1.01 0.00 0.00 64.21 59.30 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wk0 s ILE 106 N -2.80 2.84 -0.31 0.44 1.01 -0.72 -5.08 121.20 116.58 1wk0 s ILE 106 Ca 0.00 -2.04 -0.23 0.00 0.00 0.00 0.00 60.65 58.38 1wk0 s ILE 106 Cb 0.00 -2.94 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1wk0 s ILE 106 CO 0.00 -0.54 0.76 -0.54 0.00 0.00 0.00 174.94 174.61 1wk0 s LYS 107 N 1.07 3.92 0.37 2.79 1.02 -1.26 -2.22 119.74 125.43 1wk0 s LYS 107 Ca 0.06 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1wk0 s LYS 107 Cb -0.21 -3.74 0.07 0.00 -0.52 0.00 0.00 37.83 33.43 1wk0 s LYS 107 CO -0.05 -0.68 0.50 0.41 -0.92 0.00 0.00 175.35 174.61 1wk0 n GLY 108 N 4.28 0.85 3.77 -3.33 0.00 -0.61 -5.01 105.19 105.15 1wk0 n GLY 108 Ca 0.03 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 1wk0 n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wk0 s THR 109 N -1.41 4.47 0.79 2.61 2.01 -1.26 -4.64 115.64 118.21 1wk0 s THR 109 Ca 0.34 1.67 -0.11 0.00 0.31 0.00 0.00 61.69 63.90 1wk0 s THR 109 Cb -0.02 -4.12 0.07 0.00 0.01 0.00 0.00 72.50 68.43 1wk0 s THR 109 CO 0.22 0.49 1.09 -2.16 -0.69 0.00 0.00 174.62 173.57 1wk0 s PRO 110 N -0.87 2.11 0.79 4.92 0.04 -1.26 -4.46 135.00 136.28 1wk0 s PRO 110 Ca 0.36 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.41 1wk0 s PRO 110 Cb -0.22 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.61 1wk0 s PRO 110 CO 0.25 -1.73 1.08 -1.13 0.04 0.00 0.00 177.00 175.51 1wk0 n SER 111 N -3.58 0.27 -4.50 6.66 3.41 -1.15 -4.98 113.62 109.75 1wk0 n SER 111 Ca 0.09 -1.50 -0.31 0.00 -0.26 0.00 0.00 58.87 56.88 1wk0 n SER 111 Cb 0.53 -0.81 0.17 0.00 -0.26 0.00 0.00 64.21 63.84 1wk0 n SER 111 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wk0 n GLU 112 N -3.25 -0.83 -2.98 4.33 4.71 -1.26 -4.68 120.64 116.69 1wk0 n GLU 112 Ca 0.14 -0.20 -0.37 0.00 -0.01 0.00 0.00 57.16 56.72 1wk0 n GLU 112 Cb 0.49 -2.08 -0.06 0.00 -1.01 0.00 0.00 31.44 28.78 1wk0 n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wk0 s ALA 113 N -2.47 3.36 -0.33 0.62 0.00 -1.26 -4.59 121.76 117.08 1wk0 s ALA 113 Ca 0.62 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.93 1wk0 s ALA 113 Cb -0.21 -2.96 0.10 0.00 0.00 0.00 0.00 23.12 20.05 1wk0 s ALA 113 CO 0.63 0.27 0.05 -2.00 0.00 0.00 0.00 175.76 174.72 1wk0 s GLU 114 N -1.82 1.40 -0.03 0.00 -6.30 0.76 -4.84 118.70 107.86 1wk0 s GLU 114 Ca 0.44 -1.72 -0.30 0.00 -2.50 0.00 0.00 54.97 50.88 1wk0 s GLU 114 Cb -0.19 -3.00 -0.03 0.00 0.00 0.00 0.00 34.13 30.91 1wk0 s GLU 114 CO 0.23 -0.93 1.09 -1.50 0.02 0.00 0.00 175.26 174.18 1wk0 s ILE 115 N 1.02 4.51 -0.02 -3.70 2.07 -1.26 -1.95 121.20 121.87 1wk0 s ILE 115 Ca 0.10 1.81 -0.01 0.00 -1.41 0.00 0.00 60.65 61.14 1wk0 s ILE 115 Cb -0.19 -4.16 0.02 0.00 0.13 0.00 0.00 42.46 38.27 1wk0 s ILE 115 CO -0.10 0.06 0.04 0.72 -1.91 0.00 0.00 174.94 173.75 1wk0 s PHE 116 N 1.64 -0.01 -0.15 3.50 -0.71 -0.84 -5.00 117.98 116.40 1wk0 s PHE 116 Ca 0.53 0.15 -0.13 0.00 -1.04 0.00 0.00 56.93 56.44 1wk0 s PHE 116 Cb -0.23 -0.14 -0.05 0.00 -1.21 0.00 0.00 43.02 41.39 1wk0 s PHE 116 CO 0.24 -0.08 0.29 0.99 -1.34 0.00 0.00 175.22 175.32 1wk0 s THR 117 N 0.76 5.30 0.17 -4.49 2.01 -1.26 -3.65 115.64 114.47 1wk0 s THR 117 Ca -0.06 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 1wk0 s THR 117 Cb -0.09 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1wk0 s THR 117 CO -0.02 0.42 0.36 0.42 -0.69 0.00 0.00 174.62 175.10 1wk0 s THR 118 N 0.27 5.22 1.13 -0.82 -4.23 -0.92 -4.95 115.64 111.34 1wk0 s THR 118 Ca 0.17 -0.28 -0.18 0.00 -1.18 0.00 0.00 61.69 60.21 1wk0 s THR 118 Cb -0.13 -3.69 0.26 0.00 1.34 0.00 0.00 72.50 70.28 1wk0 s THR 118 CO 0.04 -0.08 1.18 -1.48 -0.54 0.00 0.00 174.62 173.74 1wk0 s LEU 119 N -3.06 1.35 0.25 4.79 2.34 -1.23 -2.06 118.68 121.06 1wk0 s LEU 119 Ca 0.38 0.50 -0.06 0.00 0.06 0.00 0.00 54.13 55.01 1wk0 s LEU 119 Cb -0.12 -2.32 -0.06 0.00 -0.56 0.00 0.00 46.19 43.14 1wk0 s LEU 119 CO 0.28 -3.69 0.52 -0.94 -1.06 0.00 0.00 176.35 171.46 1wk0 s SER 120 N -4.24 6.50 0.24 1.48 1.04 -1.26 -0.27 113.70 117.20 1wk0 s SER 120 Ca 0.72 0.75 0.07 0.00 0.48 0.00 0.00 55.95 57.97 1wk0 s SER 120 Cb -0.07 -2.16 0.72 0.00 0.10 0.00 0.00 66.02 64.61 1wk0 s SER 120 CO 0.55 -0.12 1.12 0.00 0.98 0.00 0.00 173.24 175.77 1wk0 s GLU 122 N -5.39 3.45 -0.81 0.00 2.02 -1.26 -4.95 118.70 111.75 1wk0 s GLU 122 Ca -0.08 -0.03 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 1wk0 s GLU 122 Cb 0.22 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 1wk0 s GLU 122 CO 0.55 -0.14 1.92 -1.25 0.02 0.00 0.00 175.26 176.37 1wk0 s PRO 123 N -4.62 2.58 -0.04 0.39 0.04 -1.26 -4.73 135.00 127.37 1wk0 s PRO 123 Ca 0.46 -0.01 -0.05 0.00 0.04 0.00 0.00 61.00 61.43 1wk0 s PRO 123 Cb -0.10 -4.86 -0.02 0.00 0.04 0.00 0.00 34.50 29.57 1wk0 s PRO 123 CO 0.42 -3.18 -0.10 -3.47 0.04 0.00 0.00 177.00 170.71 1wk0 n ASP 124 N 13.60 0.68 -4.72 6.66 -0.08 -1.26 -4.98 116.55 126.45 1wk0 n ASP 124 Ca 0.34 0.11 -0.66 0.00 -1.51 0.00 0.00 54.79 53.08 1wk0 n ASP 124 Cb 0.48 -0.46 -0.09 0.00 2.34 0.00 0.00 41.12 43.39 1wk0 n ASP 124 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1wk0 n ILE 125 N -3.17 0.04 -0.03 5.18 2.08 -1.26 -4.86 119.36 117.33 1wk0 n ILE 125 Ca -0.04 -0.01 -0.13 0.00 0.56 0.00 0.00 62.75 63.13 1wk0 n ILE 125 Cb 0.15 -0.54 -0.09 0.00 -0.75 0.00 0.00 39.64 38.41 1wk0 n ILE 125 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1wk0 h PRO 126 N 5.05 0.15 -2.99 0.38 0.13 -2.02 -3.47 132.00 129.24 1wk0 h PRO 126 Ca -0.45 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 1wk0 h PRO 126 Cb 1.37 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.33 1wk0 h PRO 126 CO 0.94 0.60 -0.15 0.54 -0.23 0.00 0.00 178.00 179.70 1wk0 s ASN 127 N -5.88 -0.27 0.85 1.44 2.20 -1.26 -5.17 114.94 106.85 1wk0 s ASN 127 Ca -0.15 0.05 -0.11 0.00 -0.94 0.00 0.00 52.86 51.71 1wk0 s ASN 127 Cb 0.03 0.39 0.10 0.00 -2.00 0.00 0.00 41.25 39.78 1wk0 s ASN 127 CO 0.71 -0.60 1.09 -2.16 -2.94 0.00 0.00 177.10 173.20 1wk0 s PRO 128 N -2.09 1.63 0.00 3.55 0.04 -1.26 -4.91 135.00 131.96 1wk0 s PRO 128 Ca -0.08 0.95 0.15 0.00 0.04 0.00 0.00 61.00 62.06 1wk0 s PRO 128 Cb -0.02 -1.84 0.81 0.00 0.04 0.00 0.00 34.50 33.49 1wk0 s PRO 128 CO 0.00 -2.02 1.38 -0.35 0.04 0.00 0.00 177.00 176.06 1wk0 n PRO 129 N -3.75 0.30 -1.47 0.56 -0.04 -1.26 -4.86 135.00 124.48 1wk0 n PRO 129 Ca 0.08 0.10 -0.50 0.00 -0.04 0.00 0.00 63.50 63.13 1wk0 n PRO 129 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1wk0 n PRO 129 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wk0 n ARG 130 N -1.19 0.29 -4.32 0.54 5.12 -1.26 -4.94 116.66 110.90 1wk0 n ARG 130 Ca 0.09 0.10 -0.34 0.00 -1.93 0.00 0.00 57.85 55.77 1wk0 n ARG 130 Cb 0.10 -1.32 -0.14 0.00 -1.16 0.00 0.00 32.46 29.93 1wk0 n ARG 130 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1wk0 s ILE 131 N -0.67 3.09 -1.14 0.55 1.01 -1.26 -5.05 121.20 117.73 1wk0 s ILE 131 Ca 0.71 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 1wk0 s ILE 131 Cb -0.97 -2.35 0.26 0.00 0.01 0.00 0.00 42.46 39.41 1wk0 s ILE 131 CO 0.56 0.48 1.26 -1.54 0.00 0.00 0.00 174.94 175.71 1wk0 n SER 132 N 4.20 5.57 -0.79 3.58 3.41 -1.26 -4.98 113.62 123.35 1wk0 n SER 132 Ca -0.18 -3.08 0.10 0.00 -0.26 0.00 0.00 58.87 55.45 1wk0 n SER 132 Cb 0.52 -1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.02 1wk0 n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wk0 n GLY 133 N 2.77 -2.17 3.61 5.00 0.00 -1.26 -4.93 105.19 108.21 1wk0 n GLY 133 Ca 0.27 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1wk0 n GLY 133 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wk0 s PRO 134 N -2.46 -0.89 -0.28 1.61 0.04 -1.26 -5.09 135.00 126.67 1wk0 s PRO 134 Ca 0.00 0.06 -0.12 0.00 0.04 0.00 0.00 61.00 60.97 1wk0 s PRO 134 Cb 0.00 -1.62 0.11 0.00 0.04 0.00 0.00 34.50 33.02 1wk0 s PRO 134 CO 0.00 -3.51 0.65 0.45 0.04 0.00 0.00 177.00 174.62 1wk0 s SER 135 N -3.79 -1.00 0.04 6.66 0.15 -1.26 -5.13 113.70 109.37 1wk0 s SER 135 Ca 0.70 1.50 -0.33 0.00 0.70 0.00 0.00 55.95 58.52 1wk0 s SER 135 Cb -0.12 1.83 -0.12 0.00 -1.71 0.00 0.00 66.02 65.90 1wk0 s SER 135 CO 0.56 -0.23 1.78 -0.24 1.20 0.00 0.00 173.24 176.32 1wk0 n SER 136 N 4.94 3.50 0.00 5.45 2.88 -1.26 -5.29 113.62 123.84 1wk0 n SER 136 Ca -0.16 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wk0 n SER 136 Cb 0.53 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1wk0 n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42