#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 1.20 -0.08 1.61 0.01 -1.26 -4.96 113.70 110.22 1wk0 s SER 2 Ca 0.00 -0.01 -0.26 0.00 1.31 0.00 0.00 55.95 56.99 1wk0 s SER 2 Cb 0.00 -0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.01 1wk0 s SER 2 CO 0.00 -0.20 0.61 -0.44 0.41 0.00 0.00 173.24 173.62 1wk0 s SER 3 N 1.88 -0.58 0.82 2.44 0.01 -1.26 -5.09 113.70 111.92 1wk0 s SER 3 Ca 0.02 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.01 1wk0 s SER 3 Cb -0.12 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.77 1wk0 s SER 3 CO -0.04 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1wk0 n GLY 4 N 1.37 2.50 2.92 3.44 0.00 -1.26 -4.75 105.19 109.41 1wk0 n GLY 4 Ca -0.18 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1wk0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wk0 n SER 5 N 0.04 -5.64 -4.67 1.61 3.41 -1.26 -4.71 113.62 102.40 1wk0 n SER 5 Ca 0.00 0.22 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 1wk0 n SER 5 Cb 0.00 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 1wk0 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wk0 s SER 6 N -0.97 6.44 0.06 4.04 0.15 -1.26 -4.89 113.70 117.28 1wk0 s SER 6 Ca 0.40 2.70 -0.13 0.00 0.70 0.00 0.00 55.95 59.62 1wk0 s SER 6 Cb -0.20 -2.54 -0.27 0.00 -1.71 0.00 0.00 66.02 61.29 1wk0 s SER 6 CO 0.79 -1.04 1.12 1.23 1.20 0.00 0.00 173.24 176.54 1wk0 h GLY 7 N 10.01 0.64 -0.94 9.45 0.00 -1.86 -3.32 103.07 117.05 1wk0 h GLY 7 Ca -0.48 -1.36 0.25 0.00 0.00 0.00 0.00 47.33 45.74 1wk0 h GLY 7 CO 0.94 1.19 -0.01 1.22 0.00 0.00 0.00 176.54 179.88 1wk0 n ASP 8 N -3.76 -0.14 -0.35 0.19 8.00 -1.26 0.44 116.55 119.67 1wk0 n ASP 8 Ca -0.13 1.60 0.11 0.00 0.71 0.00 0.00 54.79 57.09 1wk0 n ASP 8 Cb 0.98 -0.57 0.23 0.00 -0.02 0.00 0.00 41.12 41.75 1wk0 n ASP 8 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wk0 h GLU 9 N 0.00 0.00 -0.39 -1.24 4.39 -1.98 0.67 114.58 116.04 1wk0 h GLU 9 Ca 0.55 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.27 1wk0 h GLU 9 Cb 1.11 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1wk0 h GLU 9 CO -0.90 0.00 0.24 0.93 -1.16 0.00 0.00 179.01 178.13 1wk0 h GLU 10 N 0.00 0.48 -0.69 2.33 3.07 -0.25 -2.59 114.58 116.92 1wk0 h GLU 10 Ca 0.55 -0.03 0.09 0.00 -0.50 0.00 0.00 59.36 59.47 1wk0 h GLU 10 Cb 1.04 -0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.78 1wk0 h GLU 10 CO -0.97 0.32 0.35 1.15 -1.40 0.00 0.00 179.01 178.45 1wk0 h THR 11 N 0.49 0.87 0.03 1.13 2.02 0.32 -2.48 112.91 115.29 1wk0 h THR 11 Ca 0.15 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.15 1wk0 h THR 11 Cb -0.03 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.54 1wk0 h THR 11 CO -0.05 0.11 -0.37 0.11 0.37 0.00 0.00 175.52 175.69 1wk0 h LYS 12 N 0.61 -0.52 -0.80 6.66 1.57 -0.88 0.60 116.57 123.81 1wk0 h LYS 12 Ca 0.34 0.04 0.19 0.00 -1.87 0.00 0.00 60.65 59.34 1wk0 h LYS 12 Cb 0.33 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 1wk0 h LYS 12 CO -0.25 -0.35 0.54 0.00 -0.57 0.00 0.00 179.45 178.82 1wk0 h ALA 13 N 0.09 2.30 -0.05 3.86 0.00 -1.31 0.16 119.26 124.30 1wk0 h ALA 13 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1wk0 h ALA 13 Cb 0.61 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wk0 h ALA 13 CO -0.27 -0.53 -0.72 0.74 0.00 0.00 0.00 179.25 178.46 1wk0 h PHE 14 N 0.30 0.36 -0.03 0.00 0.04 -0.68 0.28 116.94 117.22 1wk0 h PHE 14 Ca 0.40 -0.16 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 1wk0 h PHE 14 Cb 1.11 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1wk0 h PHE 14 CO -0.00 0.90 -0.36 0.93 -0.60 0.00 0.00 178.31 179.18 1wk0 h GLU 15 N 0.18 0.05 0.07 1.51 5.08 0.14 -0.19 114.58 121.42 1wk0 h GLU 15 Ca -0.02 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.96 1wk0 h GLU 15 Cb 1.28 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 1wk0 h GLU 15 CO 0.11 0.40 -2.02 0.00 -1.00 0.00 0.00 179.01 176.51 1wk0 n ALA 16 N -2.47 1.01 0.18 3.43 0.00 -0.87 -3.88 120.51 117.90 1wk0 n ALA 16 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.56 1wk0 n ALA 16 Cb 0.40 -0.47 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 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 -0.22 -0.38 -2.35 0.00 5.85 -0.46 -2.05 115.31 115.71 1wk0 h LEU 17 Ca -0.47 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1wk0 h LEU 17 Cb 1.85 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.97 1wk0 h LEU 17 CO -0.04 -0.10 0.13 -0.07 -0.34 0.00 0.00 178.44 178.01 1wk0 h LEU 18 N -0.65 0.00 -3.37 2.25 3.38 -1.22 0.23 115.31 115.93 1wk0 h LEU 18 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1wk0 h LEU 18 Cb 0.46 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1wk0 h LEU 18 CO 0.07 0.00 0.03 -0.24 0.09 0.00 0.00 178.44 178.39 1wk0 n SER 19 N -2.85 3.54 -0.67 -0.43 2.88 -0.95 -4.16 113.62 110.98 1wk0 n SER 19 Ca -0.02 -3.31 0.06 0.00 -1.33 0.00 0.00 58.87 54.27 1wk0 n SER 19 Cb 0.18 -0.61 0.20 0.00 -0.75 0.00 0.00 64.21 63.24 1wk0 n SER 19 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wk0 n ASN 20 N -0.69 2.85 -3.87 -3.46 2.85 0.82 -4.91 115.26 108.84 1wk0 n ASN 20 Ca 0.29 -3.32 -0.19 0.00 -0.11 0.00 0.00 54.58 51.25 1wk0 n ASN 20 Cb 1.02 -0.53 0.11 0.00 1.24 0.00 0.00 39.78 41.62 1wk0 n ASN 20 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1wk0 n ILE 21 N -1.01 0.00 -4.29 -1.44 -0.00 -1.26 -2.58 119.36 108.78 1wk0 n ILE 21 Ca 0.22 -1.13 -0.29 0.00 -0.00 0.00 0.00 62.75 61.56 1wk0 n ILE 21 Cb 0.83 -1.13 -0.11 0.00 -0.00 0.00 0.00 39.64 39.23 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 -2.52 2.99 0.43 7.28 0.11 -1.25 -4.89 120.40 122.55 1wk0 s VAL 22 Ca 0.53 -1.54 -0.26 0.00 -2.93 0.00 0.00 61.98 57.78 1wk0 s VAL 22 Cb -0.03 -2.41 -0.09 0.00 -1.53 0.00 0.00 36.38 32.32 1wk0 s VAL 22 CO 0.35 0.03 1.44 2.29 -3.33 0.00 0.00 175.10 175.88 1wk0 n LYS 23 N 0.55 2.33 -2.22 1.54 2.85 -1.26 -4.40 118.16 117.55 1wk0 n LYS 23 Ca -0.14 0.83 -0.42 0.00 -1.05 0.00 0.00 58.31 57.53 1wk0 n LYS 23 Cb 0.53 -2.62 -0.03 0.00 -0.65 0.00 0.00 35.03 32.26 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 -2.35 4.37 -0.21 -1.58 0.04 -1.26 -4.77 135.00 129.24 1wk0 s PRO 24 Ca 0.59 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.51 1wk0 s PRO 24 Cb -0.46 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1wk0 s PRO 24 CO 0.59 -0.31 0.39 0.08 0.04 0.00 0.00 177.00 177.79 1wk0 s VAL 25 N 0.48 5.20 -0.09 -0.36 1.01 0.88 -4.57 120.40 122.96 1wk0 s VAL 25 Ca 0.59 0.67 -0.27 0.00 0.00 0.00 0.00 61.98 62.97 1wk0 s VAL 25 Cb -0.36 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1wk0 s VAL 25 CO 0.35 0.25 0.88 0.00 0.00 0.00 0.00 175.10 176.58 1wk0 s ALA 26 N 1.35 3.36 0.30 5.51 0.00 -1.26 -1.89 121.76 129.13 1wk0 s ALA 26 Ca 0.18 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1wk0 s ALA 26 Cb -0.15 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1wk0 s ALA 26 CO 0.08 -0.42 0.20 -1.12 0.00 0.00 0.00 175.76 174.50 1wk0 s SER 27 N 1.03 1.36 -0.97 0.00 0.01 0.11 -4.85 113.70 110.40 1wk0 s SER 27 Ca 0.44 -1.61 -0.12 0.00 1.31 0.00 0.00 55.95 55.97 1wk0 s SER 27 Cb -0.18 0.46 0.12 0.00 0.21 0.00 0.00 66.02 66.63 1wk0 s SER 27 CO 0.19 -0.95 0.31 0.47 0.41 0.00 0.00 173.24 173.67 1wk0 n ASP 28 N -1.05 -1.28 -4.67 2.44 9.92 -1.26 -0.66 116.55 119.99 1wk0 n ASP 28 Ca 0.03 -0.47 -0.45 0.00 -0.53 0.00 0.00 54.79 53.38 1wk0 n ASP 28 Cb 0.64 -1.16 -0.02 0.00 -0.64 0.00 0.00 41.12 39.93 1wk0 n ASP 28 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1wk0 n ILE 29 N -2.98 1.14 -4.54 0.53 5.41 -1.26 -4.14 119.36 113.52 1wk0 n ILE 29 Ca 0.06 -0.29 -0.27 0.00 1.00 0.00 0.00 62.75 63.26 1wk0 n ILE 29 Cb 0.40 -1.44 -0.07 0.00 -0.71 0.00 0.00 39.64 37.82 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 1.75 0.60 0.00 0.38 6.02 0.32 -4.82 117.38 121.62 1wk0 n GLN 30 Ca 0.11 -3.53 0.00 0.00 -0.01 0.00 0.00 57.00 53.57 1wk0 n GLN 30 Cb 0.32 1.79 0.00 0.00 1.02 0.00 0.00 30.24 33.37 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 -1.08 0.00 -0.01 -1.58 0.00 -1.26 -3.59 120.51 112.99 1wk0 n ALA 31 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.30 1wk0 n ALA 31 Cb 0.62 0.38 -0.05 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.45 0.56 -3.67 0.00 1.74 -1.26 -3.82 116.66 107.75 1wk0 n ARG 32 Ca 0.00 -0.05 -0.27 0.00 -0.77 0.00 0.00 57.85 56.76 1wk0 n ARG 32 Cb 0.00 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.39 5.19 0.22 0.55 -4.23 -1.25 -3.81 115.64 109.92 1wk0 s THR 33 Ca -0.02 -0.38 -0.18 0.00 -1.18 0.00 0.00 61.69 59.92 1wk0 s THR 33 Cb 0.04 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.15 1wk0 s THR 33 CO 0.25 -0.21 0.57 0.68 -0.54 0.00 0.00 174.62 175.37 1wk0 s VAL 34 N -1.91 0.01 -0.38 2.29 -7.23 -1.19 0.12 120.40 112.10 1wk0 s VAL 34 Ca 0.39 -0.87 -0.07 0.00 -1.81 0.00 0.00 61.98 59.62 1wk0 s VAL 34 Cb -0.11 -1.72 0.07 0.00 0.56 0.00 0.00 36.38 35.17 1wk0 s VAL 34 CO 0.29 -0.07 0.19 -0.69 -0.31 0.00 0.00 175.10 174.52 1wk0 s VAL 35 N -3.90 3.91 -0.37 1.32 1.01 0.16 -1.98 120.40 120.55 1wk0 s VAL 35 Ca 0.11 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 1wk0 s VAL 35 Cb -0.02 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1wk0 s VAL 35 CO 0.00 -0.39 0.26 -0.22 0.00 0.00 0.00 175.10 174.75 1wk0 s LEU 36 N 1.38 4.79 -0.11 3.92 2.96 0.53 0.09 118.68 132.24 1wk0 s LEU 36 Ca 0.02 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.28 1wk0 s LEU 36 Cb -0.22 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1wk0 s LEU 36 CO 0.02 -0.34 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.58 1wk0 s THR 37 N 1.69 2.12 0.08 3.68 2.01 -0.79 -1.23 115.64 123.20 1wk0 s THR 37 Ca 0.05 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1wk0 s THR 37 Cb -0.18 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1wk0 s THR 37 CO 0.10 0.56 -0.06 -1.66 -0.69 0.00 0.00 174.62 172.86 1wk0 s TRP 38 N 0.42 0.79 0.14 4.92 -2.14 -0.52 -0.08 118.94 122.47 1wk0 s TRP 38 Ca -0.17 -0.82 0.01 0.00 2.66 0.00 0.00 56.10 57.79 1wk0 s TRP 38 Cb -0.17 -0.47 -0.04 0.00 -3.10 0.00 0.00 33.47 29.69 1wk0 s TRP 38 CO 0.07 -0.15 0.30 0.45 -2.66 0.00 0.00 176.95 174.95 1wk0 s SER 39 N -2.63 6.36 0.92 -2.66 0.15 -1.26 -4.67 113.70 109.90 1wk0 s SER 39 Ca 0.05 0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.84 1wk0 s SER 39 Cb 0.01 -1.95 0.14 0.00 -1.71 0.00 0.00 66.02 62.52 1wk0 s SER 39 CO -0.04 0.05 1.09 -2.16 1.20 0.00 0.00 173.24 173.39 1wk0 s PRO 40 N -3.09 1.09 0.62 5.44 0.04 -1.26 -3.81 135.00 134.03 1wk0 s PRO 40 Ca 0.36 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 1wk0 s PRO 40 Cb -0.11 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1wk0 s PRO 40 CO 0.28 -2.34 1.12 -1.25 0.04 0.00 0.00 177.00 174.85 1wk0 s PRO 41 N -4.94 2.98 -0.30 0.56 0.04 -1.26 -4.56 135.00 127.52 1wk0 s PRO 41 Ca 0.64 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 63.01 1wk0 s PRO 41 Cb -0.18 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1wk0 s PRO 41 CO 0.57 -1.12 0.25 -1.12 0.04 0.00 0.00 177.00 175.62 1wk0 s SER 42 N -2.33 6.09 0.17 6.66 0.01 -1.07 -4.91 113.70 118.33 1wk0 s SER 42 Ca 0.69 -0.06 -0.31 0.00 1.31 0.00 0.00 55.95 57.58 1wk0 s SER 42 Cb -0.22 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 1wk0 s SER 42 CO 0.37 -0.14 1.42 -0.55 0.41 0.00 0.00 173.24 174.75 1wk0 s SER 43 N 1.73 6.75 -0.17 2.44 0.15 -1.26 -4.83 113.70 118.51 1wk0 s SER 43 Ca 0.09 2.48 0.16 0.00 0.70 0.00 0.00 55.95 59.38 1wk0 s SER 43 Cb -0.16 -2.60 0.51 0.00 -1.71 0.00 0.00 66.02 62.06 1wk0 s SER 43 CO 0.11 -0.67 1.41 0.18 1.20 0.00 0.00 173.24 175.46 1wk0 n LEU 44 N 3.32 3.80 0.00 3.45 4.77 -1.26 -4.60 117.00 126.48 1wk0 n LEU 44 Ca 0.10 -2.96 0.02 0.00 -0.03 0.00 0.00 56.01 53.14 1wk0 n LEU 44 Cb 0.41 -0.52 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 1wk0 n LEU 44 CO 0.59 0.68 0.55 -0.38 -1.33 0.00 0.00 177.39 177.50 1wk0 n ILE 45 N -0.48 1.47 -1.97 -0.08 2.08 -1.26 -4.80 119.36 114.32 1wk0 n ILE 45 Ca 0.21 0.37 -0.09 0.00 0.56 0.00 0.00 62.75 63.80 1wk0 n ILE 45 Cb 0.86 -1.29 -0.01 0.00 -0.75 0.00 0.00 39.64 38.45 1wk0 n ILE 45 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1wk0 n ASN 46 N -1.43 -3.26 0.00 4.38 5.15 -1.26 -2.57 115.26 116.26 1wk0 n ASN 46 Ca 0.01 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.03 1wk0 n ASN 46 Cb 0.05 -2.33 0.00 0.00 -0.53 0.00 0.00 39.78 36.97 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 -1.21 1.18 0.37 8.20 0.00 -1.26 -4.81 105.19 107.66 1wk0 n GLY 47 Ca -0.10 0.00 0.18 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 1.59 0.00 -6.57 1.61 4.81 -1.89 -3.40 114.58 110.72 1wk0 h GLU 48 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.58 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 -0.76 -0.08 -0.73 0.00 0.00 179.01 177.44 1wk0 s THR 49 N -4.39 3.10 0.20 0.32 -1.32 -1.26 -5.08 115.64 107.20 1wk0 s THR 49 Ca -0.04 -1.52 -0.32 0.00 -1.21 0.00 0.00 61.69 58.60 1wk0 s THR 49 Cb 0.12 -2.47 -0.14 0.00 -1.51 0.00 0.00 72.50 68.50 1wk0 s THR 49 CO 0.43 0.02 1.44 0.47 -2.21 0.00 0.00 174.62 174.76 1wk0 n ASP 50 N 0.47 2.69 0.29 8.08 8.00 -1.26 -4.85 116.55 129.97 1wk0 n ASP 50 Ca -0.13 1.12 0.17 0.00 0.71 0.00 0.00 54.79 56.66 1wk0 n ASP 50 Cb 0.54 -1.40 0.82 0.00 -0.02 0.00 0.00 41.12 41.06 1wk0 n ASP 50 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wk0 h GLU 51 N 4.70 0.00 -0.85 -1.24 5.08 -1.98 -2.08 114.58 118.21 1wk0 h GLU 51 Ca -0.45 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1wk0 h GLU 51 Cb 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1wk0 h GLU 51 CO 0.79 0.04 0.05 -1.13 -1.00 0.00 0.00 179.01 177.76 1wk0 n SER 52 N -3.22 3.13 -0.07 1.42 3.41 -1.26 -4.07 113.62 112.96 1wk0 n SER 52 Ca -0.01 -2.46 -0.13 0.00 -0.26 0.00 0.00 58.87 56.01 1wk0 n SER 52 Cb 0.24 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.55 1wk0 n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wk0 n SER 53 N 0.19 1.52 -3.39 4.04 2.88 -0.78 -4.99 113.62 113.09 1wk0 n SER 53 Ca 0.15 0.25 -0.48 0.00 -1.33 0.00 0.00 58.87 57.45 1wk0 n SER 53 Cb 0.73 -0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 1wk0 n SER 53 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1wk0 n VAL 54 N -4.01 0.00 -1.37 2.46 0.24 -1.26 -4.86 118.33 109.53 1wk0 n VAL 54 Ca -0.24 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.75 1wk0 n VAL 54 Cb 0.56 -0.36 0.08 0.00 -1.47 0.00 0.00 33.84 32.65 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 2.61 2.37 -0.11 7.34 0.04 -1.26 -4.99 135.00 141.01 1wk0 s PRO 55 Ca 0.79 1.22 0.16 0.00 0.04 0.00 0.00 61.00 63.20 1wk0 s PRO 55 Cb -1.09 -1.91 0.25 0.00 0.04 0.00 0.00 34.50 31.79 1wk0 s PRO 55 CO 0.57 -1.56 1.13 -0.85 0.04 0.00 0.00 177.00 176.34 1wk0 n GLU 56 N -3.28 1.09 -0.70 4.56 0.28 -1.26 -4.66 120.64 116.67 1wk0 n GLU 56 Ca 0.09 -2.37 0.08 0.00 -0.16 0.00 0.00 57.16 54.80 1wk0 n GLU 56 Cb 0.53 -1.34 0.34 0.00 1.43 0.00 0.00 31.44 32.41 1wk0 n GLU 56 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wk0 n LEU 57 N -1.18 4.94 -4.47 -1.84 7.99 -1.26 -4.85 117.00 116.32 1wk0 n LEU 57 Ca 0.14 -2.92 -0.48 0.00 -0.01 0.00 0.00 56.01 52.74 1wk0 n LEU 57 Cb 0.66 -0.62 -0.07 0.00 -0.11 0.00 0.00 43.42 43.28 1wk0 n LEU 57 CO 0.00 0.66 1.87 -1.22 -1.51 0.00 0.00 177.39 177.19 1wk0 n TYR 58 N 0.23 1.53 -1.55 -1.77 4.01 -1.26 -4.79 117.16 113.55 1wk0 n TYR 58 Ca 0.25 0.23 -0.39 0.00 -0.16 0.00 0.00 57.90 57.83 1wk0 n TYR 58 Cb 1.05 -2.55 -0.04 0.00 -0.31 0.00 0.00 39.34 37.49 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 6.43 0.37 3.61 2.72 0.00 0.17 -4.55 105.19 113.93 1wk0 n GLY 59 Ca 0.42 0.73 -0.40 0.00 0.00 0.00 0.00 46.02 46.78 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 10.75 3.25 -0.19 1.61 2.02 0.13 0.65 117.35 135.58 1wk0 s TYR 60 Ca 1.02 0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 58.18 1wk0 s TYR 60 Cb -0.33 -2.66 -0.02 0.00 -0.40 0.00 0.00 41.96 38.55 1wk0 s TYR 60 CO 0.31 -0.27 -0.02 -2.00 -1.57 0.00 0.00 175.55 171.99 1wk0 s GLU 61 N 2.20 3.55 -0.25 -0.62 2.12 0.59 -2.39 118.70 123.90 1wk0 s GLU 61 Ca 0.18 -0.56 -0.21 0.00 0.36 0.00 0.00 54.97 54.74 1wk0 s GLU 61 Cb -0.16 -3.00 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 1wk0 s GLU 61 CO 0.10 0.01 0.66 0.08 -0.54 0.00 0.00 175.26 175.57 1wk0 s VAL 62 N 0.97 4.96 -0.21 3.70 1.01 -0.89 -1.09 120.40 128.85 1wk0 s VAL 62 Ca 0.01 1.19 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 1wk0 s VAL 62 Cb -0.14 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1wk0 s VAL 62 CO 0.01 0.01 -0.05 -0.76 0.00 0.00 0.00 175.10 174.31 1wk0 s LEU 63 N 2.56 2.91 0.16 3.92 1.43 0.55 -2.45 118.68 127.76 1wk0 s LEU 63 Ca 0.27 -0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1wk0 s LEU 63 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1wk0 s LEU 63 CO 0.08 0.00 -0.25 0.27 0.23 0.00 0.00 176.35 176.69 1wk0 s ILE 64 N 1.34 2.24 -0.28 -0.59 -4.36 -0.66 -1.26 121.20 117.62 1wk0 s ILE 64 Ca 0.04 -1.86 -0.19 0.00 -0.26 0.00 0.00 60.65 58.37 1wk0 s ILE 64 Cb -0.14 -2.01 0.09 0.00 1.25 0.00 0.00 42.46 41.64 1wk0 s ILE 64 CO -0.02 -0.02 0.77 -0.55 0.24 0.00 0.00 174.94 175.35 1wk0 s SER 65 N -2.32 -0.79 -0.00 4.36 0.15 -1.18 -1.75 113.70 112.16 1wk0 s SER 65 Ca 0.16 1.35 0.08 0.00 0.70 0.00 0.00 55.95 58.25 1wk0 s SER 65 Cb -0.09 1.34 -0.10 0.00 -1.71 0.00 0.00 66.02 65.46 1wk0 s SER 65 CO 0.07 -0.22 0.30 -0.24 1.20 0.00 0.00 173.24 174.36 1wk0 n SER 66 N 3.59 1.11 0.00 5.45 2.88 -1.26 -3.03 113.62 122.36 1wk0 n SER 66 Ca -0.17 -0.51 -0.14 0.00 -1.33 0.00 0.00 58.87 56.71 1wk0 n SER 66 Cb 0.57 1.10 -0.03 0.00 -0.75 0.00 0.00 64.21 65.11 1wk0 n SER 66 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1wk0 h THR 67 N 0.00 1.31 0.00 2.46 2.02 -1.95 -3.47 112.91 113.29 1wk0 h THR 67 Ca 0.00 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1wk0 h THR 67 Cb 0.25 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1wk0 h THR 67 CO 0.00 0.63 0.00 0.61 0.37 0.00 0.00 175.52 177.13 1wk0 n GLY 68 N 0.64 1.23 0.33 2.16 0.00 -1.26 -5.00 105.19 103.30 1wk0 n GLY 68 Ca -0.06 0.42 0.17 0.00 0.00 0.00 0.00 46.02 46.55 1wk0 n GLY 68 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wk0 h LYS 69 N 0.00 0.00 -0.86 1.61 2.10 -1.91 0.57 116.57 118.08 1wk0 h LYS 69 Ca 0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.16 1wk0 h LYS 69 Cb 0.00 0.00 -0.27 0.00 -0.90 0.00 0.00 32.23 31.06 1wk0 h LYS 69 CO 0.00 0.00 0.49 -0.25 -2.00 0.00 0.00 179.45 177.69 1wk0 n ASP 70 N -3.70 4.51 0.00 7.07 8.00 -1.26 -4.94 116.55 126.22 1wk0 n ASP 70 Ca 0.01 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.81 1wk0 n ASP 70 Cb 0.30 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 -1.07 5.32 3.82 0.44 0.00 0.19 -5.14 105.19 108.75 1wk0 n GLY 71 Ca 0.55 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 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 2.94 4.27 0.28 1.61 2.20 -1.26 -5.01 119.74 124.77 1wk0 s LYS 72 Ca 0.00 1.08 0.09 0.00 -0.36 0.00 0.00 55.97 56.78 1wk0 s LYS 72 Cb 0.00 -2.38 -0.05 0.00 -1.51 0.00 0.00 37.83 33.88 1wk0 s LYS 72 CO 0.00 0.08 -0.13 0.71 -0.36 0.00 0.00 175.35 175.66 1wk0 s TYR 73 N -2.00 2.11 0.05 4.03 1.51 -1.26 -4.80 117.35 116.99 1wk0 s TYR 73 Ca 0.57 -0.51 0.06 0.00 -1.01 0.00 0.00 57.07 56.18 1wk0 s TYR 73 Cb -0.12 -1.07 -0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1wk0 s TYR 73 CO 0.16 0.50 -0.17 0.21 -1.11 0.00 0.00 175.55 175.14 1wk0 s LYS 74 N -3.62 1.11 -0.07 -0.62 2.20 -0.71 -4.95 119.74 113.07 1wk0 s LYS 74 Ca 0.29 -0.87 -0.22 0.00 -0.36 0.00 0.00 55.97 54.81 1wk0 s LYS 74 Cb -0.00 -1.18 -0.04 0.00 -1.51 0.00 0.00 37.83 35.10 1wk0 s LYS 74 CO 0.13 0.29 0.64 -1.12 -0.36 0.00 0.00 175.35 174.93 1wk0 s SER 75 N -1.26 6.91 -0.08 1.43 0.01 -1.26 -1.65 113.70 117.80 1wk0 s SER 75 Ca 0.04 1.10 0.10 0.00 1.31 0.00 0.00 55.95 58.50 1wk0 s SER 75 Cb -0.09 -2.38 -0.15 0.00 0.21 0.00 0.00 66.02 63.62 1wk0 s SER 75 CO 0.02 -0.07 0.11 1.33 0.41 0.00 0.00 173.24 175.05 1wk0 n VAL 76 N 3.64 0.49 -3.53 3.43 0.24 -1.03 -5.01 118.33 116.57 1wk0 n VAL 76 Ca -0.03 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 1wk0 n VAL 76 Cb 0.51 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 32.45 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 -2.45 -0.50 -0.25 6.34 6.14 -1.26 -4.88 117.35 120.49 1wk0 s TYR 77 Ca -0.05 0.60 -0.03 0.00 0.64 0.00 0.00 57.07 58.22 1wk0 s TYR 77 Cb 0.05 0.40 0.14 0.00 0.42 0.00 0.00 41.96 42.96 1wk0 s TYR 77 CO 0.46 -0.67 0.43 0.08 0.64 0.00 0.00 175.55 176.49 1wk0 s VAL 78 N -2.39 -0.69 0.00 3.14 1.01 -1.26 -2.08 120.40 118.13 1wk0 s VAL 78 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1wk0 s VAL 78 Cb -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1wk0 s VAL 78 CO -0.01 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1wk0 n GLY 79 N 5.38 3.45 0.04 4.51 0.00 -1.00 -4.98 105.19 112.58 1wk0 n GLY 79 Ca -0.04 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 0.78 -1.43 1.61 4.71 -1.26 0.20 120.64 125.25 1wk0 n GLU 80 Ca 0.00 0.04 -0.45 0.00 -0.01 0.00 0.00 57.16 56.74 1wk0 n GLU 80 Cb 0.00 -1.16 -0.01 0.00 -1.01 0.00 0.00 31.44 29.26 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 -2.62 0.37 0.12 3.49 4.71 -1.26 -4.73 120.64 120.71 1wk0 n GLU 81 Ca -0.13 0.13 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 1wk0 n GLU 81 Cb 0.66 -1.27 0.33 0.00 -1.01 0.00 0.00 31.44 30.15 1wk0 n GLU 81 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 1wk0 h THR 82 N 0.98 0.00 -3.35 2.62 1.35 -1.95 -3.44 112.91 109.12 1wk0 h THR 82 Ca -0.35 -0.57 -0.53 0.00 -0.55 0.00 0.00 66.41 64.41 1wk0 h THR 82 Cb 1.41 1.51 -0.34 0.00 -1.73 0.00 0.00 68.15 69.00 1wk0 h THR 82 CO 0.54 0.00 -0.82 0.21 -0.25 0.00 0.00 175.52 175.21 1wk0 s ASN 83 N -4.79 1.95 0.14 5.36 3.84 -1.26 -1.44 114.94 118.74 1wk0 s ASN 83 Ca 0.09 -0.32 -0.06 0.00 0.21 0.00 0.00 52.86 52.78 1wk0 s ASN 83 Cb 0.11 -0.87 -0.02 0.00 -0.55 0.00 0.00 41.25 39.93 1wk0 s ASN 83 CO 0.63 0.00 0.20 0.27 -2.79 0.00 0.00 177.10 175.41 1wk0 s ILE 84 N 0.91 0.09 -0.10 -5.21 -5.25 -0.36 -5.02 121.20 106.26 1wk0 s ILE 84 Ca -0.10 -1.53 0.02 0.00 -0.99 0.00 0.00 60.65 58.06 1wk0 s ILE 84 Cb -0.15 -1.82 -0.01 0.00 2.95 0.00 0.00 42.46 43.42 1wk0 s ILE 84 CO 0.01 -0.42 -0.17 -0.89 -1.79 0.00 0.00 174.94 171.68 1wk0 s THR 85 N -3.98 2.73 0.43 8.37 2.01 -1.26 -0.35 115.64 123.60 1wk0 s THR 85 Ca 0.17 -0.79 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 1wk0 s THR 85 Cb 0.05 -2.10 -0.11 0.00 0.01 0.00 0.00 72.50 70.35 1wk0 s THR 85 CO -0.01 0.55 0.96 -0.76 -0.69 0.00 0.00 174.62 174.66 1wk0 s LEU 86 N 0.13 3.95 0.13 4.42 1.43 -0.84 -4.89 118.68 123.01 1wk0 s LEU 86 Ca -0.09 1.71 -0.04 0.00 -1.03 0.00 0.00 54.13 54.69 1wk0 s LEU 86 Cb -0.15 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 1wk0 s LEU 86 CO 0.05 -0.38 0.12 0.20 0.23 0.00 0.00 176.35 176.57 1wk0 s ASN 87 N -2.14 0.24 -1.30 2.29 -0.87 -1.26 -3.20 114.94 108.70 1wk0 s ASN 87 Ca 0.62 -1.06 -0.04 0.00 -1.57 0.00 0.00 52.86 50.81 1wk0 s ASN 87 Cb -0.10 0.33 0.01 0.00 -0.02 0.00 0.00 41.25 41.47 1wk0 s ASN 87 CO 0.14 -0.76 0.99 0.47 -2.57 0.00 0.00 177.10 175.37 1wk0 n ASP 88 N -0.10 -3.39 -4.78 -1.22 8.00 -1.26 -5.00 116.55 108.78 1wk0 n ASP 88 Ca -0.07 -0.66 -0.22 0.00 0.71 0.00 0.00 54.79 54.55 1wk0 n ASP 88 Cb 0.63 -4.75 0.03 0.00 -0.02 0.00 0.00 41.12 37.02 1wk0 n ASP 88 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wk0 n LEU 89 N -4.47 0.00 -4.36 0.64 4.77 -1.25 -5.11 117.00 107.22 1wk0 n LEU 89 Ca -0.17 -2.59 -0.36 0.00 -0.03 0.00 0.00 56.01 52.86 1wk0 n LEU 89 Cb 0.62 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 1wk0 n LEU 89 CO 0.65 -0.64 -0.32 -0.75 -1.33 0.00 0.00 177.39 175.00 1wk0 s LYS 90 N -4.35 3.39 0.86 3.23 2.47 -1.26 -4.79 119.74 119.28 1wk0 s LYS 90 Ca 0.44 -0.64 -0.11 0.00 -1.56 0.00 0.00 55.97 54.10 1wk0 s LYS 90 Cb -0.04 -3.20 0.11 0.00 -1.46 0.00 0.00 37.83 33.24 1wk0 s LYS 90 CO 0.28 -0.26 1.09 -1.25 0.16 0.00 0.00 175.35 175.37 1wk0 s PRO 91 N 1.52 1.55 -1.39 4.03 0.04 -1.25 -3.68 135.00 135.84 1wk0 s PRO 91 Ca 0.05 0.92 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 1wk0 s PRO 91 Cb -0.15 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1wk0 s PRO 91 CO 0.00 -2.06 0.53 0.00 0.04 0.00 0.00 177.00 175.51 1wk0 n ALA 92 N -3.78 -1.03 -2.58 8.56 0.00 -0.34 -4.90 120.51 116.45 1wk0 n ALA 92 Ca 0.08 0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.41 1wk0 n ALA 92 Cb 0.55 -3.21 -0.09 0.00 0.00 0.00 0.00 19.45 16.70 1wk0 n ALA 92 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1wk0 s MET 93 N -5.87 1.95 -0.21 0.00 -1.94 -1.23 -4.97 119.30 107.03 1wk0 s MET 93 Ca 0.36 -2.18 -0.04 0.00 -1.71 0.00 0.00 55.69 52.12 1wk0 s MET 93 Cb -0.18 -1.04 0.11 0.00 2.01 0.00 0.00 34.83 35.73 1wk0 s MET 93 CO 0.44 -0.34 0.31 0.16 -0.01 0.00 0.00 175.02 175.58 1wk0 s ASP 94 N -3.67 0.63 0.23 3.03 1.47 -1.26 -2.02 116.67 115.08 1wk0 s ASP 94 Ca 0.23 0.16 0.01 0.00 1.18 0.00 0.00 52.55 54.12 1wk0 s ASP 94 Cb 0.04 0.82 -0.04 0.00 -0.34 0.00 0.00 42.92 43.41 1wk0 s ASP 94 CO 0.12 -0.30 0.15 -0.72 0.68 0.00 0.00 175.17 175.10 1wk0 s TYR 95 N 2.46 1.32 0.31 2.11 1.13 -1.26 -4.85 117.35 118.57 1wk0 s TYR 95 Ca 0.08 -1.39 0.04 0.00 -1.41 0.00 0.00 57.07 54.39 1wk0 s TYR 95 Cb -0.15 -0.65 -0.02 0.00 -1.10 0.00 0.00 41.96 40.04 1wk0 s TYR 95 CO -0.13 -0.62 0.46 -1.01 -2.51 0.00 0.00 175.55 171.73 1wk0 s HIS 96 N -3.97 3.34 -0.03 -3.49 3.76 -1.17 -2.13 115.29 111.60 1wk0 s HIS 96 Ca 0.39 0.01 -0.02 0.00 -0.15 0.00 0.00 55.06 55.29 1wk0 s HIS 96 Cb 0.06 -1.82 0.01 0.00 1.11 0.00 0.00 32.58 31.94 1wk0 s HIS 96 CO 0.15 0.18 0.07 0.00 -0.85 0.00 0.00 174.74 174.28 1wk0 s ALA 97 N -2.15 -0.14 0.10 -1.40 0.00 -1.18 -3.13 121.76 113.85 1wk0 s ALA 97 Ca 0.40 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.65 1wk0 s ALA 97 Cb -0.09 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1wk0 s ALA 97 CO 0.32 -0.06 -0.09 0.15 0.00 0.00 0.00 175.76 176.08 1wk0 s LYS 98 N 0.32 0.83 -0.11 0.00 1.02 -0.39 -1.00 119.74 120.41 1wk0 s LYS 98 Ca -0.02 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 54.82 1wk0 s LYS 98 Cb -0.04 -0.47 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 1wk0 s LYS 98 CO -0.01 0.06 -0.19 0.54 -0.92 0.00 0.00 175.35 174.84 1wk0 s VAL 99 N -2.59 1.74 -0.18 3.17 0.11 -1.26 -0.33 120.40 121.06 1wk0 s VAL 99 Ca 0.06 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 1wk0 s VAL 99 Cb -0.02 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 1wk0 s VAL 99 CO -0.01 0.49 -0.10 -1.58 -3.33 0.00 0.00 175.10 170.58 1wk0 s GLN 100 N 0.78 3.35 -0.08 1.54 0.74 -0.25 -2.46 119.66 123.28 1wk0 s GLN 100 Ca -0.10 -0.67 -0.19 0.00 0.05 0.00 0.00 55.36 54.45 1wk0 s GLN 100 Cb -0.16 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1wk0 s GLN 100 CO 0.01 -0.02 0.53 0.00 -0.55 0.00 0.00 175.29 175.26 1wk0 s ALA 101 N 0.98 3.47 -0.03 1.58 0.00 -1.24 -0.30 121.76 126.20 1wk0 s ALA 101 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.89 1wk0 s ALA 101 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1wk0 s ALA 101 CO -0.01 0.04 -0.12 -2.00 0.00 0.00 0.00 175.76 173.67 1wk0 s GLU 102 N 0.39 1.32 -0.15 0.00 -6.30 0.21 -3.67 118.70 110.50 1wk0 s GLU 102 Ca 0.29 -0.43 -0.11 0.00 -2.50 0.00 0.00 54.97 52.22 1wk0 s GLU 102 Cb -0.16 -1.18 0.05 0.00 0.00 0.00 0.00 34.13 32.83 1wk0 s GLU 102 CO 0.13 0.16 0.38 -0.47 0.02 0.00 0.00 175.26 175.48 1wk0 s TYR 103 N 0.16 -0.50 -1.54 5.30 6.14 -1.11 0.42 117.35 126.23 1wk0 s TYR 103 Ca -0.04 1.12 -0.04 0.00 0.64 0.00 0.00 57.07 58.76 1wk0 s TYR 103 Cb -0.10 0.19 0.01 0.00 0.42 0.00 0.00 41.96 42.48 1wk0 s TYR 103 CO 0.01 -0.27 0.37 -1.71 0.64 0.00 0.00 175.55 174.60 1wk0 n ASN 104 N 3.67 -5.55 -1.14 4.32 2.85 -1.26 -0.67 115.26 117.48 1wk0 n ASN 104 Ca -0.19 -0.18 -0.11 0.00 -0.11 0.00 0.00 54.58 53.98 1wk0 n ASN 104 Cb 0.56 -4.55 -0.02 0.00 1.24 0.00 0.00 39.78 37.00 1wk0 n ASN 104 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wk0 n SER 105 N -2.29 -3.97 -4.17 1.20 2.88 -1.26 -4.99 113.62 101.03 1wk0 n SER 105 Ca -0.14 0.10 -0.37 0.00 -1.33 0.00 0.00 58.87 57.14 1wk0 n SER 105 Cb 0.63 -2.91 -0.12 0.00 -0.75 0.00 0.00 64.21 61.06 1wk0 n SER 105 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wk0 s ILE 106 N -2.51 3.46 -0.30 2.46 1.01 0.15 -5.07 121.20 120.40 1wk0 s ILE 106 Ca 0.00 -1.77 -0.16 0.00 0.00 0.00 0.00 60.65 58.72 1wk0 s ILE 106 Cb 0.00 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 1wk0 s ILE 106 CO 0.00 -0.53 0.42 -0.54 0.00 0.00 0.00 174.94 174.28 1wk0 s LYS 107 N 1.23 3.86 0.00 2.79 1.02 -1.26 -2.74 119.74 124.64 1wk0 s LYS 107 Ca 0.04 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1wk0 s LYS 107 Cb -0.22 -3.71 0.00 0.00 -0.52 0.00 0.00 37.83 33.37 1wk0 s LYS 107 CO -0.02 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 1wk0 n GLY 108 N 4.72 0.65 2.96 -3.33 0.00 -1.24 -5.03 105.19 103.92 1wk0 n GLY 108 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 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 1.45 0.56 0.12 2.61 2.01 -1.26 -5.03 115.64 116.09 1wk0 s THR 109 Ca 0.00 -0.25 -0.31 0.00 0.31 0.00 0.00 61.69 61.44 1wk0 s THR 109 Cb 0.00 -0.51 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1wk0 s THR 109 CO 0.00 0.18 1.36 -2.16 -0.69 0.00 0.00 174.62 173.31 1wk0 s PRO 110 N 0.20 4.34 0.61 4.92 0.04 -1.26 -4.65 135.00 139.20 1wk0 s PRO 110 Ca -0.02 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1wk0 s PRO 110 Cb -0.07 -3.25 0.14 0.00 0.04 0.00 0.00 34.50 31.36 1wk0 s PRO 110 CO -0.00 -0.39 0.32 -1.13 0.04 0.00 0.00 177.00 175.84 1wk0 n SER 111 N 3.75 -2.52 -3.70 6.66 3.41 -1.03 -4.88 113.62 115.30 1wk0 n SER 111 Ca 0.10 -0.32 -0.28 0.00 -0.26 0.00 0.00 58.87 58.11 1wk0 n SER 111 Cb 0.43 -0.44 0.26 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.38 -3.65 -3.99 4.33 4.71 -1.26 -4.62 120.64 113.77 1wk0 n GLU 112 Ca 0.05 -1.07 -0.35 0.00 -0.01 0.00 0.00 57.16 55.78 1wk0 n GLU 112 Cb 0.22 -1.90 -0.11 0.00 -1.01 0.00 0.00 31.44 28.64 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 -2.19 3.22 -0.53 0.62 0.00 -1.26 -4.45 121.76 117.17 1wk0 s ALA 113 Ca 0.62 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.56 1wk0 s ALA 113 Cb -0.15 -1.90 0.13 0.00 0.00 0.00 0.00 23.12 21.20 1wk0 s ALA 113 CO 0.56 -0.09 0.42 -2.00 0.00 0.00 0.00 175.76 174.66 1wk0 s GLU 114 N 0.88 2.67 0.33 0.00 2.56 -0.17 -4.77 118.70 120.21 1wk0 s GLU 114 Ca 0.03 -1.88 -0.28 0.00 0.00 0.00 0.00 54.97 52.83 1wk0 s GLU 114 Cb -0.14 -4.02 -0.10 0.00 2.00 0.00 0.00 34.13 31.87 1wk0 s GLU 114 CO 0.02 -1.23 1.29 -1.50 -0.56 0.00 0.00 175.26 173.29 1wk0 s ILE 115 N 1.19 2.77 -0.16 -3.70 2.07 -1.26 -3.10 121.20 119.01 1wk0 s ILE 115 Ca 0.07 0.77 -0.06 0.00 -1.41 0.00 0.00 60.65 60.02 1wk0 s ILE 115 Cb -0.25 -3.49 0.07 0.00 0.13 0.00 0.00 42.46 38.93 1wk0 s ILE 115 CO -0.01 0.18 0.34 0.72 -1.91 0.00 0.00 174.94 174.26 1wk0 s PHE 116 N -1.16 -0.60 -0.14 3.50 -0.12 -0.91 -4.94 117.98 113.62 1wk0 s PHE 116 Ca 0.49 1.23 -0.24 0.00 -0.05 0.00 0.00 56.93 58.37 1wk0 s PHE 116 Cb -0.39 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 1wk0 s PHE 116 CO 0.52 -0.40 0.75 0.99 -0.05 0.00 0.00 175.22 177.02 1wk0 s THR 117 N 2.37 4.97 0.14 -4.49 2.01 -1.26 -3.98 115.64 115.40 1wk0 s THR 117 Ca -0.01 1.48 -0.16 0.00 0.31 0.00 0.00 61.69 63.30 1wk0 s THR 117 Cb -0.12 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.26 1wk0 s THR 117 CO -0.11 0.12 0.57 0.42 -0.69 0.00 0.00 174.62 174.94 1wk0 s THR 118 N 1.64 4.80 0.93 -0.82 -4.23 -0.85 -4.94 115.64 112.17 1wk0 s THR 118 Ca 0.36 0.95 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 1wk0 s THR 118 Cb -0.17 -3.78 0.15 0.00 1.34 0.00 0.00 72.50 70.05 1wk0 s THR 118 CO 0.14 0.29 1.11 -1.48 -0.54 0.00 0.00 174.62 174.14 1wk0 s LEU 119 N -1.82 1.93 0.62 4.79 2.34 -1.24 -1.20 118.68 124.10 1wk0 s LEU 119 Ca 0.37 1.11 -0.12 0.00 0.06 0.00 0.00 54.13 55.56 1wk0 s LEU 119 Cb -0.16 -3.42 -0.04 0.00 -0.56 0.00 0.00 46.19 42.01 1wk0 s LEU 119 CO 0.19 -2.72 1.03 -0.94 -1.06 0.00 0.00 176.35 172.85 1wk0 s SER 120 N -3.76 6.12 0.39 1.48 1.04 -1.26 -2.35 113.70 115.36 1wk0 s SER 120 Ca 0.64 1.49 0.23 0.00 0.48 0.00 0.00 55.95 58.79 1wk0 s SER 120 Cb -0.16 -2.48 1.31 0.00 0.10 0.00 0.00 66.02 64.78 1wk0 s SER 120 CO 0.55 -0.94 1.62 0.00 0.98 0.00 0.00 173.24 175.45 1wk0 s GLU 122 N -5.46 3.66 -0.93 0.00 0.41 -1.26 -4.93 118.70 110.19 1wk0 s GLU 122 Ca -0.09 -0.01 -0.24 0.00 -0.41 0.00 0.00 54.97 54.22 1wk0 s GLU 122 Cb 0.31 -2.76 -0.05 0.00 -1.78 0.00 0.00 34.13 29.85 1wk0 s GLU 122 CO 0.80 0.38 1.95 -1.25 -0.49 0.00 0.00 175.26 176.64 1wk0 s PRO 123 N -2.93 2.55 -0.06 0.39 0.04 -1.26 -4.58 135.00 129.14 1wk0 s PRO 123 Ca 0.43 -0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.09 1wk0 s PRO 123 Cb -0.11 -5.08 -0.04 0.00 0.04 0.00 0.00 34.50 29.31 1wk0 s PRO 123 CO 0.25 -3.44 -0.06 -3.47 0.04 0.00 0.00 177.00 170.32 1wk0 n ASP 124 N 14.02 2.87 0.19 6.66 -0.08 -1.26 -4.77 116.55 134.18 1wk0 n ASP 124 Ca 0.41 -0.01 -0.16 0.00 -1.51 0.00 0.00 54.79 53.52 1wk0 n ASP 124 Cb 0.47 -0.12 -0.09 0.00 2.34 0.00 0.00 41.12 43.72 1wk0 n ASP 124 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1wk0 h ILE 125 N -0.05 0.10 -2.37 5.18 1.08 -1.93 -3.43 117.51 116.08 1wk0 h ILE 125 Ca -0.15 0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 64.14 1wk0 h ILE 125 Cb 1.21 0.10 0.09 0.00 -3.07 0.00 0.00 36.82 35.14 1wk0 h ILE 125 CO -0.04 0.00 0.05 -0.81 -0.69 0.00 0.00 178.15 176.66 1wk0 n PRO 126 N -5.50 -2.03 -3.27 2.37 -0.04 -1.26 -5.04 135.00 120.24 1wk0 n PRO 126 Ca -0.09 -0.82 -0.25 0.00 -0.04 0.00 0.00 63.50 62.30 1wk0 n PRO 126 Cb 0.41 -0.77 -0.07 0.00 -0.04 0.00 0.00 33.50 33.03 1wk0 n PRO 126 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1wk0 n ASN 127 N -3.88 1.42 -4.74 3.54 0.23 -1.26 -5.08 115.26 105.48 1wk0 n ASN 127 Ca 0.07 -2.96 -0.41 0.00 -0.53 0.00 0.00 54.58 50.75 1wk0 n ASN 127 Cb 0.28 -0.65 -0.03 0.00 -2.08 0.00 0.00 39.78 37.30 1wk0 n ASN 127 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1wk0 s PRO 128 N -1.65 4.41 0.76 -0.53 0.04 -1.26 -5.02 135.00 131.76 1wk0 s PRO 128 Ca 0.37 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.35 1wk0 s PRO 128 Cb 0.17 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 31.58 1wk0 s PRO 128 CO -0.08 -0.20 1.09 -1.25 0.04 0.00 0.00 177.00 176.61 1wk0 s PRO 129 N -0.47 2.30 0.21 0.56 0.04 -1.26 -5.08 135.00 131.30 1wk0 s PRO 129 Ca 0.54 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 1wk0 s PRO 129 Cb -0.36 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 1wk0 s PRO 129 CO 0.41 -1.62 0.12 1.03 0.04 0.00 0.00 177.00 176.98 1wk0 s ARG 130 N -4.82 1.24 0.00 4.56 0.52 -1.26 -5.05 118.95 114.14 1wk0 s ARG 130 Ca 0.62 -1.66 0.16 0.00 -0.52 0.00 0.00 55.73 54.33 1wk0 s ARG 130 Cb -0.18 0.14 -0.15 0.00 0.52 0.00 0.00 34.95 35.28 1wk0 s ARG 130 CO 0.55 -0.36 0.72 0.44 0.02 0.00 0.00 175.30 176.66 1wk0 n ILE 131 N -0.31 0.00 -4.44 1.52 -5.35 -1.26 -4.94 119.36 104.58 1wk0 n ILE 131 Ca 0.01 -0.14 -0.34 0.00 -0.27 0.00 0.00 62.75 62.01 1wk0 n ILE 131 Cb 0.66 1.03 -0.12 0.00 -1.74 0.00 0.00 39.64 39.47 1wk0 n ILE 131 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1wk0 s SER 132 N -2.47 4.80 0.00 7.28 0.15 -1.26 -5.00 113.70 117.21 1wk0 s SER 132 Ca 0.07 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1wk0 s SER 132 Cb 0.12 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.79 1wk0 s SER 132 CO 0.64 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.91 1wk0 n GLY 133 N 3.17 4.15 3.56 9.45 0.00 -1.26 -5.05 105.19 119.21 1wk0 n GLY 133 Ca -0.18 -1.10 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 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 1.02 2.56 -1.55 1.61 0.04 -1.26 -3.73 135.00 133.69 1wk0 s PRO 134 Ca 0.00 -0.21 -0.12 0.00 0.04 0.00 0.00 61.00 60.71 1wk0 s PRO 134 Cb 0.00 -5.00 0.09 0.00 0.04 0.00 0.00 34.50 29.62 1wk0 s PRO 134 CO 0.00 -3.32 0.82 0.43 0.04 0.00 0.00 177.00 174.97 1wk0 n SER 135 N 13.87 -3.41 -4.51 6.66 7.64 -1.26 -4.90 113.62 127.72 1wk0 n SER 135 Ca 0.38 -0.88 -0.43 0.00 1.01 0.00 0.00 58.87 58.95 1wk0 n SER 135 Cb 0.47 -3.45 -0.05 0.00 -1.01 0.00 0.00 64.21 60.17 1wk0 n SER 135 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wk0 s SER 136 N -3.55 6.33 0.00 6.43 0.15 -1.24 -5.25 113.70 116.56 1wk0 s SER 136 Ca 0.54 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1wk0 s SER 136 Cb -0.28 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1wk0 s SER 136 CO 0.87 -1.06 0.00 0.61 1.20 0.00 0.00 173.24 174.86