#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj1 s VAL 2 N 0.00 3.72 -0.02 6.31 1.01 -1.26 -4.24 120.40 125.92 1bj1 s VAL 2 Ca 0.00 1.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.85 1bj1 s VAL 2 Cb 0.00 -3.66 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1bj1 s VAL 2 CO 0.00 -0.04 0.33 0.00 0.00 0.00 0.00 175.10 175.39 1bj1 s GLN 3 N 2.97 0.68 -0.11 2.72 -2.07 -0.75 -5.02 119.66 118.09 1bj1 s GLN 3 Ca 0.65 -0.16 0.02 0.00 -1.82 0.00 0.00 55.36 54.05 1bj1 s GLN 3 Cb -0.31 0.31 0.01 0.00 -1.09 0.00 0.00 33.01 31.93 1bj1 s GLN 3 CO 0.26 -0.19 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.35 1bj1 s LEU 4 N -1.31 1.86 -0.11 2.60 1.02 -1.26 -1.71 118.68 119.77 1bj1 s LEU 4 Ca -0.13 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 53.57 1bj1 s LEU 4 Cb -0.05 -1.20 0.01 0.00 0.02 0.00 0.00 46.19 44.97 1bj1 s LEU 4 CO 0.04 0.05 -0.22 -0.69 0.02 0.00 0.00 176.35 175.56 1bj1 s VAL 5 N 0.84 1.97 0.18 -1.59 1.01 -0.56 -3.99 120.40 118.26 1bj1 s VAL 5 Ca -0.09 -0.95 0.05 0.00 0.00 0.00 0.00 61.98 60.99 1bj1 s VAL 5 Cb -0.15 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1bj1 s VAL 5 CO 0.00 0.54 0.15 -1.61 0.00 0.00 0.00 175.10 174.18 1bj1 s GLU 6 N 0.56 2.92 0.22 2.72 2.02 -1.26 -0.88 118.70 124.99 1bj1 s GLU 6 Ca -0.14 -0.89 -0.21 0.00 0.02 0.00 0.00 54.97 53.76 1bj1 s GLU 6 Cb -0.17 -2.64 0.04 0.00 0.10 0.00 0.00 34.13 31.46 1bj1 s GLU 6 CO 0.04 0.47 0.63 -1.54 0.02 0.00 0.00 175.26 174.88 1bj1 s SER 7 N -3.22 -0.35 0.00 -0.19 1.04 -0.76 -4.93 113.70 105.29 1bj1 s SER 7 Ca 0.31 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1bj1 s SER 7 Cb -0.10 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.67 1bj1 s SER 7 CO 0.24 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1bj1 n GLY 8 N -0.40 0.72 3.20 7.32 0.00 -1.26 -1.35 105.19 113.42 1bj1 n GLY 8 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.65 1bj1 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj1 n GLY 9 N -1.06 -2.75 0.00 -0.02 0.00 -1.26 -4.72 105.19 95.38 1bj1 n GLY 9 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1bj1 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bj1 n GLY 10 N -4.16 0.68 3.76 -0.02 0.00 -0.49 -4.99 105.19 99.98 1bj1 n GLY 10 Ca 0.14 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1bj1 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bj1 s LEU 11 N 0.00 4.47 -0.04 0.99 0.20 -1.26 -1.97 118.68 121.07 1bj1 s LEU 11 Ca 0.00 2.51 -0.06 0.00 0.69 0.00 0.00 54.13 57.27 1bj1 s LEU 11 Cb 0.00 -3.64 0.01 0.00 -0.43 0.00 0.00 46.19 42.13 1bj1 s LEU 11 CO 0.00 -0.40 0.14 0.54 -0.29 0.00 0.00 176.35 176.35 1bj1 s VAL 12 N -0.99 0.02 0.50 1.68 0.11 0.11 -4.93 120.40 116.91 1bj1 s VAL 12 Ca 0.48 -0.17 -0.16 0.00 -2.93 0.00 0.00 61.98 59.21 1bj1 s VAL 12 Cb -0.37 -0.26 -0.08 0.00 -1.53 0.00 0.00 36.38 34.14 1bj1 s VAL 12 CO 0.47 -0.09 0.96 -1.10 -3.33 0.00 0.00 175.10 172.01 1bj1 s GLN 13 N -0.26 3.92 0.20 1.54 -0.21 -1.26 -0.66 119.66 122.94 1bj1 s GLN 13 Ca -0.03 0.89 -0.32 0.00 0.02 0.00 0.00 55.36 55.92 1bj1 s GLN 13 Cb -0.03 -2.16 -0.12 0.00 1.00 0.00 0.00 33.01 31.70 1bj1 s GLN 13 CO 0.00 -0.25 1.69 -2.14 -2.12 0.00 0.00 175.29 172.48 1bj1 s PRO 14 N -4.07 4.14 0.00 2.91 0.02 -1.26 -0.85 135.00 135.88 1bj1 s PRO 14 Ca 0.58 2.56 0.00 0.00 0.02 0.00 0.00 61.00 64.16 1bj1 s PRO 14 Cb -0.10 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.33 1bj1 s PRO 14 CO 0.32 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 1bj1 n GLY 15 N 3.91 0.23 3.94 0.52 0.00 0.57 -4.93 105.19 109.44 1bj1 n GLY 15 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1bj1 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bj1 s GLY 16 N -1.95 1.73 0.29 -0.02 0.00 -0.03 -3.71 107.32 103.64 1bj1 s GLY 16 Ca 0.00 -1.18 0.11 0.00 0.00 0.00 0.00 44.72 43.65 1bj1 s GLY 16 CO 0.00 -0.56 -0.14 -0.56 0.00 0.00 0.00 173.10 171.83 1bj1 s SER 17 N -4.74 3.77 -0.02 1.64 0.01 -1.26 -2.10 113.70 111.00 1bj1 s SER 17 Ca 0.68 -1.01 -0.28 0.00 1.31 0.00 0.00 55.95 56.64 1bj1 s SER 17 Cb -0.06 -0.39 0.06 0.00 0.21 0.00 0.00 66.02 65.84 1bj1 s SER 17 CO 0.49 -0.03 0.63 -0.76 0.41 0.00 0.00 173.24 173.98 1bj1 s LEU 18 N -3.56 -0.48 -0.11 2.44 1.43 -0.76 -4.98 118.68 112.66 1bj1 s LEU 18 Ca 0.31 0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1bj1 s LEU 18 Cb -0.04 2.40 0.02 0.00 0.03 0.00 0.00 46.19 48.61 1bj1 s LEU 18 CO 0.16 -0.63 -0.07 -0.60 0.23 0.00 0.00 176.35 175.44 1bj1 s ARG 19 N -1.49 1.48 0.17 1.70 3.52 -1.26 -1.00 118.95 122.07 1bj1 s ARG 19 Ca -0.10 -0.24 -0.05 0.00 -0.13 0.00 0.00 55.73 55.21 1bj1 s ARG 19 Cb -0.01 -1.55 -0.06 0.00 -1.56 0.00 0.00 34.95 31.78 1bj1 s ARG 19 CO 0.07 -0.26 0.41 -0.51 -0.81 0.00 0.00 175.30 174.20 1bj1 s LEU 20 N 1.68 4.24 0.07 -0.88 1.43 0.18 -4.67 118.68 120.72 1bj1 s LEU 20 Ca 0.04 0.63 0.05 0.00 -1.03 0.00 0.00 54.13 53.82 1bj1 s LEU 20 Cb -0.13 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1bj1 s LEU 20 CO -0.08 0.01 -0.15 -0.94 0.23 0.00 0.00 176.35 175.43 1bj1 s SER 21 N -2.52 1.75 -0.28 2.29 1.04 -0.46 -1.34 113.70 114.18 1bj1 s SER 21 Ca 0.42 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1bj1 s SER 21 Cb -0.12 -0.06 0.08 0.00 0.10 0.00 0.00 66.02 66.03 1bj1 s SER 21 CO 0.25 -0.07 0.04 0.00 0.98 0.00 0.00 173.24 174.44 1bj1 s ALA 23 N 1.48 3.48 0.26 0.00 0.00 -0.06 -1.81 121.76 125.09 1bj1 s ALA 23 Ca 0.04 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 1bj1 s ALA 23 Cb -0.18 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1bj1 s ALA 23 CO -0.15 -1.28 0.54 0.00 0.00 0.00 0.00 175.76 174.88 1bj1 s ALA 24 N 2.73 3.62 0.04 0.00 0.00 -0.56 -1.49 121.76 126.09 1bj1 s ALA 24 Ca 0.26 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.50 1bj1 s ALA 24 Cb -0.14 -2.33 0.07 0.00 0.00 0.00 0.00 23.12 20.71 1bj1 s ALA 24 CO 0.14 0.37 0.62 -1.54 0.00 0.00 0.00 175.76 175.35 1bj1 s SER 25 N -2.82 -0.58 0.00 0.00 1.04 -0.69 -4.89 113.70 105.76 1bj1 s SER 25 Ca 0.45 0.37 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1bj1 s SER 25 Cb -0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1bj1 s SER 25 CO 0.26 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1bj1 n GLY 26 N 0.40 0.71 3.73 7.32 0.00 -1.26 -1.81 105.19 114.28 1bj1 n GLY 26 Ca -0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1bj1 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1bj1 s TYR 27 N -2.00 -0.10 -0.53 1.61 1.13 -1.26 -4.33 117.35 111.86 1bj1 s TYR 27 Ca 0.00 -0.17 -0.25 0.00 -1.41 0.00 0.00 57.07 55.24 1bj1 s TYR 27 Cb 0.00 0.62 0.03 0.00 -1.10 0.00 0.00 41.96 41.52 1bj1 s TYR 27 CO 0.00 -0.72 1.00 0.99 -2.51 0.00 0.00 175.55 174.31 1bj1 s THR 28 N -3.06 4.33 0.33 -3.49 2.01 -1.26 -4.92 115.64 109.57 1bj1 s THR 28 Ca 0.13 0.56 0.12 0.00 0.31 0.00 0.00 61.69 62.81 1bj1 s THR 28 Cb -0.00 -4.55 0.33 0.00 0.01 0.00 0.00 72.50 68.29 1bj1 s THR 28 CO 0.01 -1.09 1.64 0.15 -0.69 0.00 0.00 174.62 174.65 1bj1 h PHE 29 N 9.30 0.73 0.00 4.92 3.57 -1.95 -0.88 116.94 132.63 1bj1 h PHE 29 Ca -0.25 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1bj1 h PHE 29 Cb 1.07 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1bj1 h PHE 29 CO 0.93 -0.24 0.00 0.25 -2.23 0.00 0.00 178.31 177.02 1bj1 n THR 30 N -5.14 0.00 0.65 4.41 -2.24 -1.26 -3.63 114.28 107.06 1bj1 n THR 30 Ca 0.30 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.20 1bj1 n THR 30 Cb 0.94 -0.53 0.17 0.00 -2.10 0.00 0.00 70.33 68.81 1bj1 n THR 30 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1bj1 n ASN 31 N -1.01 0.64 -3.96 3.42 3.02 -0.34 -4.08 115.26 112.96 1bj1 n ASN 31 Ca 0.22 0.02 -0.16 0.00 -0.03 0.00 0.00 54.58 54.63 1bj1 n ASN 31 Cb 0.11 0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.39 1bj1 n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1bj1 s TYR 32 N -3.14 0.51 0.79 3.10 1.51 -1.24 -5.08 117.35 113.80 1bj1 s TYR 32 Ca 0.07 -0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 55.91 1bj1 s TYR 32 Cb 0.14 -0.33 0.07 0.00 -0.11 0.00 0.00 41.96 41.73 1bj1 s TYR 32 CO 0.73 -0.01 1.14 0.20 -1.11 0.00 0.00 175.55 176.50 1bj1 s GLY 33 N -0.10 1.92 -0.10 0.71 0.00 -1.26 -4.53 107.32 103.96 1bj1 s GLY 33 Ca 0.02 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1bj1 s GLY 33 CO -0.00 0.96 -0.24 -0.29 0.00 0.00 0.00 173.10 173.53 1bj1 s MET 34 N -4.45 3.01 0.27 2.90 1.75 -0.85 -1.48 119.30 120.45 1bj1 s MET 34 Ca 0.67 -0.88 0.09 0.00 -1.25 0.00 0.00 55.69 54.32 1bj1 s MET 34 Cb -0.23 -2.29 -0.04 0.00 2.84 0.00 0.00 34.83 35.12 1bj1 s MET 34 CO 0.52 0.19 0.08 -0.80 -0.65 0.00 0.00 175.02 174.36 1bj1 s ASN 35 N 0.31 4.91 -0.07 1.11 0.01 0.34 -0.67 114.94 120.88 1bj1 s ASN 35 Ca -0.18 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.48 1bj1 s ASN 35 Cb -0.18 -1.04 0.01 0.00 0.41 0.00 0.00 41.25 40.46 1bj1 s ASN 35 CO 0.09 -0.04 -0.13 0.26 -1.51 0.00 0.00 177.10 175.77 1bj1 s TRP 36 N -2.26 1.56 0.01 2.20 0.52 -0.54 -1.54 118.94 118.89 1bj1 s TRP 36 Ca 0.32 -0.60 0.03 0.00 0.02 0.00 0.00 56.10 55.88 1bj1 s TRP 36 Cb -0.07 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1bj1 s TRP 36 CO 0.22 -0.30 -0.11 0.08 0.02 0.00 0.00 176.95 176.86 1bj1 s VAL 37 N 0.69 0.85 0.17 4.03 1.01 -0.36 -0.78 120.40 126.01 1bj1 s VAL 37 Ca -0.14 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1bj1 s VAL 37 Cb -0.16 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1bj1 s VAL 37 CO 0.03 0.08 -0.14 0.00 0.00 0.00 0.00 175.10 175.07 1bj1 s ARG 38 N -0.68 1.20 -0.25 2.72 1.70 -0.51 0.20 118.95 123.33 1bj1 s ARG 38 Ca 0.01 -1.46 -0.02 0.00 -0.47 0.00 0.00 55.73 53.79 1bj1 s ARG 38 Cb -0.06 -1.00 0.12 0.00 -0.57 0.00 0.00 34.95 33.44 1bj1 s ARG 38 CO 0.00 0.17 0.30 -1.14 -1.08 0.00 0.00 175.30 173.55 1bj1 s GLN 39 N -3.35 0.29 0.81 3.89 0.74 -0.90 -1.11 119.66 120.03 1bj1 s GLN 39 Ca 0.18 0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.66 1bj1 s GLN 39 Cb -0.02 -0.78 0.09 0.00 1.10 0.00 0.00 33.01 33.40 1bj1 s GLN 39 CO 0.05 -0.78 1.16 0.00 -0.55 0.00 0.00 175.29 175.16 1bj1 s ALA 40 N 2.42 1.89 -0.07 1.58 0.00 -1.26 -2.37 121.76 123.94 1bj1 s ALA 40 Ca 0.10 0.64 -0.35 0.00 0.00 0.00 0.00 51.96 52.35 1bj1 s ALA 40 Cb -0.15 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 1bj1 s ALA 40 CO -0.20 -2.20 1.82 -2.30 0.00 0.00 0.00 175.76 172.88 1bj1 n PRO 41 N -3.48 2.06 -1.02 0.00 -0.02 -1.26 -1.30 135.00 129.99 1bj1 n PRO 41 Ca 0.12 0.75 -0.01 0.00 -2.02 0.00 0.00 63.50 62.35 1bj1 n PRO 41 Cb 0.52 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1bj1 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bj1 n GLY 42 N 4.24 0.33 0.00 -1.23 0.00 -1.26 -4.99 105.19 102.27 1bj1 n GLY 42 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1bj1 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bj1 n LYS 43 N -1.30 2.19 -0.07 1.61 5.02 -0.42 -5.16 118.16 120.03 1bj1 n LYS 43 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1bj1 n LYS 43 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1bj1 n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bj1 n GLY 44 N 5.00 -0.65 3.78 0.72 0.00 -1.26 -4.70 105.19 108.08 1bj1 n GLY 44 Ca 0.00 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 1bj1 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj1 s LEU 45 N 0.00 3.96 -0.05 0.99 1.43 -1.26 -4.06 118.68 119.69 1bj1 s LEU 45 Ca 0.00 0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1bj1 s LEU 45 Cb 0.00 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.31 1bj1 s LEU 45 CO 0.00 0.39 0.03 -0.70 0.23 0.00 0.00 176.35 176.30 1bj1 s GLU 46 N -0.96 0.21 0.07 1.70 2.12 -0.27 -4.99 118.70 116.58 1bj1 s GLU 46 Ca 0.14 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.40 1bj1 s GLU 46 Cb -0.12 -0.65 -0.05 0.00 0.26 0.00 0.00 34.13 33.57 1bj1 s GLU 46 CO 0.03 -0.28 1.14 -0.46 -0.54 0.00 0.00 175.26 175.15 1bj1 s TRP 47 N 1.88 3.50 -0.14 5.30 -0.00 -1.26 -1.43 118.94 126.79 1bj1 s TRP 47 Ca 0.02 1.42 -0.03 0.00 -0.00 0.00 0.00 56.10 57.51 1bj1 s TRP 47 Cb -0.12 -3.34 -0.24 0.00 -0.00 0.00 0.00 33.47 29.76 1bj1 s TRP 47 CO -0.04 -0.94 0.27 0.28 -0.00 0.00 0.00 176.95 176.53 1bj1 n VAL 48 N 3.67 1.71 -3.12 5.86 0.31 0.04 -4.71 118.33 122.09 1bj1 n VAL 48 Ca 0.07 -0.66 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 1bj1 n VAL 48 Cb 0.47 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 1bj1 n VAL 48 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bj1 n GLY 49 N 2.01 -0.82 3.39 2.92 0.00 -1.22 -0.39 105.19 111.08 1bj1 n GLY 49 Ca -0.33 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 1bj1 n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1bj1 s TRP 50 N -2.79 0.23 -0.02 1.61 1.48 -0.19 -1.47 118.94 117.78 1bj1 s TRP 50 Ca 0.00 -0.59 0.03 0.00 -1.06 0.00 0.00 56.10 54.48 1bj1 s TRP 50 Cb 0.00 0.08 -0.00 0.00 -1.16 0.00 0.00 33.47 32.39 1bj1 s TRP 50 CO 0.00 -0.78 -0.11 -1.50 -4.06 0.00 0.00 176.95 170.50 1bj1 s ILE 51 N -3.93 0.92 -0.48 0.66 2.07 0.15 -1.21 121.20 119.37 1bj1 s ILE 51 Ca 0.14 -0.47 -0.29 0.00 -1.41 0.00 0.00 60.65 58.63 1bj1 s ILE 51 Cb 0.02 -0.78 0.02 0.00 0.13 0.00 0.00 42.46 41.85 1bj1 s ILE 51 CO -0.01 0.27 1.22 0.21 -1.91 0.00 0.00 174.94 174.71 1bj1 s ASN 52 N -0.08 6.53 0.00 4.50 3.84 -0.40 -2.01 114.94 127.32 1bj1 s ASN 52 Ca 0.01 0.50 0.19 0.00 0.21 0.00 0.00 52.86 53.78 1bj1 s ASN 52 Cb -0.07 -2.55 1.16 0.00 -0.55 0.00 0.00 41.25 39.24 1bj1 s ASN 52 CO 0.00 -1.34 1.57 0.35 -2.79 0.00 0.00 177.10 174.90 1bj1 n THR 53 N 6.90 0.00 -0.09 -5.21 -2.24 -1.26 -0.22 114.28 112.16 1bj1 n THR 53 Ca 0.13 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1bj1 n THR 53 Cb 0.49 -0.58 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1bj1 n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bj1 n TYR 54 N -0.93 0.00 0.02 4.78 9.36 -1.26 -4.54 117.16 124.59 1bj1 n TYR 54 Ca 0.15 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.42 1bj1 n TYR 54 Cb 0.07 -0.80 -0.08 0.00 -0.63 0.00 0.00 39.34 37.90 1bj1 n TYR 54 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1bj1 n THR 55 N -2.83 0.00 -0.01 2.97 -2.24 -1.17 -5.01 114.28 105.99 1bj1 n THR 55 Ca -0.31 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1bj1 n THR 55 Cb 0.96 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1bj1 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bj1 n GLY 56 N 1.87 0.85 3.67 3.38 0.00 0.70 -5.03 105.19 110.62 1bj1 n GLY 56 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1bj1 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bj1 s GLU 57 N -0.71 4.21 0.12 1.61 2.02 -1.24 -4.68 118.70 120.02 1bj1 s GLU 57 Ca 0.00 2.13 0.02 0.00 0.02 0.00 0.00 54.97 57.14 1bj1 s GLU 57 Cb 0.00 -3.81 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 1bj1 s GLU 57 CO 0.00 -0.76 0.24 -1.25 0.02 0.00 0.00 175.26 173.52 1bj1 s PRO 58 N 3.39 3.39 -0.05 0.39 0.04 -1.26 -1.27 135.00 139.63 1bj1 s PRO 58 Ca 0.70 -0.57 -0.00 0.00 0.04 0.00 0.00 61.00 61.17 1bj1 s PRO 58 Cb -0.33 -2.96 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1bj1 s PRO 58 CO 0.28 0.55 -0.00 0.99 0.04 0.00 0.00 177.00 178.86 1bj1 s THR 59 N -1.66 0.30 0.09 1.26 2.01 -0.35 -5.01 115.64 112.29 1bj1 s THR 59 Ca 0.34 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.49 1bj1 s THR 59 Cb -0.12 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1bj1 s THR 59 CO 0.28 0.21 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.06 1bj1 s TYR 60 N 1.47 2.87 0.33 4.92 1.51 -1.26 -1.03 117.35 126.16 1bj1 s TYR 60 Ca -0.03 -0.09 -0.28 0.00 -1.01 0.00 0.00 57.07 55.66 1bj1 s TYR 60 Cb -0.13 -1.49 -0.09 0.00 -0.11 0.00 0.00 41.96 40.13 1bj1 s TYR 60 CO -0.03 0.45 1.17 0.00 -1.11 0.00 0.00 175.55 176.03 1bj1 s ALA 61 N -1.26 3.35 0.31 3.71 0.00 0.47 -4.86 121.76 123.48 1bj1 s ALA 61 Ca 0.23 1.00 0.05 0.00 0.00 0.00 0.00 51.96 53.24 1bj1 s ALA 61 Cb -0.11 -3.38 0.82 0.00 0.00 0.00 0.00 23.12 20.45 1bj1 s ALA 61 CO 0.16 -0.38 1.62 0.00 0.00 0.00 0.00 175.76 177.16 1bj1 h ALA 62 N 3.35 1.39 0.00 0.00 0.00 -1.96 -0.24 119.26 121.81 1bj1 h ALA 62 Ca -0.48 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bj1 h ALA 62 Cb 1.22 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1bj1 h ALA 62 CO 0.65 -0.56 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 1bj1 n ASP 63 N -5.29 0.00 -0.03 0.00 8.00 -1.26 -2.79 116.55 115.18 1bj1 n ASP 63 Ca 0.24 0.40 0.02 0.00 0.71 0.00 0.00 54.79 56.17 1bj1 n ASP 63 Cb 0.79 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.44 1bj1 n ASP 63 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bj1 n PHE 64 N -1.43 0.00 -0.22 1.24 3.72 -0.10 -4.70 117.46 115.97 1bj1 n PHE 64 Ca 0.02 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.44 1bj1 n PHE 64 Cb 0.05 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.73 1bj1 n PHE 64 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1bj1 h LYS 65 N 0.17 0.39 -0.36 -1.08 3.11 -1.52 -2.03 116.57 115.25 1bj1 h LYS 65 Ca 0.00 -0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.77 1bj1 h LYS 65 Cb 0.12 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 1bj1 h LYS 65 CO 0.00 0.26 0.05 -0.09 -2.81 0.00 0.00 179.45 176.86 1bj1 h ARG 66 N 0.40 0.60 -0.00 1.90 2.43 -1.84 -3.36 114.38 114.51 1bj1 h ARG 66 Ca 0.35 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1bj1 h ARG 66 Cb 0.48 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1bj1 h ARG 66 CO -0.36 0.68 -0.51 0.54 -1.51 0.00 0.00 179.97 178.81 1bj1 n ARG 67 N -4.55 2.24 -4.22 0.20 1.74 -1.18 -5.02 116.66 105.87 1bj1 n ARG 67 Ca -0.01 -0.28 -0.28 0.00 -0.77 0.00 0.00 57.85 56.50 1bj1 n ARG 67 Cb 0.23 -1.17 -0.09 0.00 -1.02 0.00 0.00 32.46 30.42 1bj1 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bj1 s PHE 68 N -2.08 2.79 -0.06 -1.55 0.40 -0.77 -1.44 117.98 115.27 1bj1 s PHE 68 Ca 0.08 -0.15 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1bj1 s PHE 68 Cb 0.11 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.28 1bj1 s PHE 68 CO 0.48 0.48 0.13 0.99 0.70 0.00 0.00 175.22 178.01 1bj1 s THR 69 N -1.52 -0.13 -0.02 0.64 2.01 -0.52 -4.79 115.64 111.30 1bj1 s THR 69 Ca 0.25 0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.45 1bj1 s THR 69 Cb -0.10 -0.23 -0.05 0.00 0.01 0.00 0.00 72.50 72.13 1bj1 s THR 69 CO 0.16 0.11 0.25 -0.36 -0.69 0.00 0.00 174.62 174.09 1bj1 s PHE 70 N 1.65 3.59 0.30 4.92 0.08 -1.26 -1.59 117.98 125.67 1bj1 s PHE 70 Ca -0.04 0.58 -0.06 0.00 0.12 0.00 0.00 56.93 57.53 1bj1 s PHE 70 Cb -0.12 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1bj1 s PHE 70 CO -0.05 0.64 0.47 -1.54 -0.10 0.00 0.00 175.22 174.64 1bj1 s SER 71 N -1.55 0.48 0.03 1.36 1.04 -0.82 -4.91 113.70 109.33 1bj1 s SER 71 Ca 0.25 -1.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.26 1bj1 s SER 71 Cb -0.13 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1bj1 s SER 71 CO 0.14 -1.24 0.29 -1.48 0.98 0.00 0.00 173.24 171.94 1bj1 s LEU 72 N -3.15 0.92 -0.46 2.42 2.34 -1.26 -1.03 118.68 118.46 1bj1 s LEU 72 Ca 0.28 -0.17 0.03 0.00 0.06 0.00 0.00 54.13 54.33 1bj1 s LEU 72 Cb -0.00 1.30 0.13 0.00 -0.56 0.00 0.00 46.19 47.06 1bj1 s LEU 72 CO 0.16 -0.58 0.24 -0.62 -1.06 0.00 0.00 176.35 174.48 1bj1 s ASP 73 N -1.95 3.82 0.53 1.48 -1.08 0.03 -4.99 116.67 114.50 1bj1 s ASP 73 Ca -0.06 -2.71 0.20 0.00 -0.52 0.00 0.00 52.55 49.46 1bj1 s ASP 73 Cb -0.02 -1.18 1.38 0.00 -1.46 0.00 0.00 42.92 41.65 1bj1 s ASP 73 CO -0.02 -0.26 2.15 0.71 0.52 0.00 0.00 175.17 178.27 1bj1 h THR 74 N 5.33 0.88 0.00 1.71 1.35 -1.96 -0.64 112.91 119.58 1bj1 h THR 74 Ca -0.03 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1bj1 h THR 74 Cb 0.92 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 1bj1 h THR 74 CO 0.53 0.03 0.00 -1.54 -0.25 0.00 0.00 175.52 174.30 1bj1 n SER 75 N -4.28 0.00 0.00 5.36 3.41 -1.26 -1.64 113.62 115.21 1bj1 n SER 75 Ca -0.03 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1bj1 n SER 75 Cb 0.12 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1bj1 n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bj1 n LYS 76 N -1.27 0.05 -3.91 4.33 5.02 -0.34 -5.02 118.16 117.02 1bj1 n LYS 76 Ca 0.07 -0.47 -0.27 0.00 -2.02 0.00 0.00 58.31 55.62 1bj1 n LYS 76 Cb 0.11 -0.76 -0.01 0.00 -0.02 0.00 0.00 35.03 34.35 1bj1 n LYS 76 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1bj1 n SER 77 N -0.07 -1.12 -4.12 4.39 7.64 -0.62 -4.75 113.62 114.96 1bj1 n SER 77 Ca 0.00 -1.01 -0.21 0.00 1.01 0.00 0.00 58.87 58.66 1bj1 n SER 77 Cb 0.19 -3.10 -0.14 0.00 -1.01 0.00 0.00 64.21 60.14 1bj1 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bj1 s THR 78 N -3.87 1.07 0.00 0.44 2.01 -1.00 -1.50 115.64 112.79 1bj1 s THR 78 Ca 0.08 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.39 1bj1 s THR 78 Cb -0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1bj1 s THR 78 CO 0.88 0.17 -0.19 0.00 -0.69 0.00 0.00 174.62 174.80 1bj1 s ALA 79 N -0.54 2.52 0.12 7.40 0.00 -0.75 -0.79 121.76 129.70 1bj1 s ALA 79 Ca 0.04 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 50.97 1bj1 s ALA 79 Cb -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 1bj1 s ALA 79 CO 0.00 0.56 -0.23 0.71 0.00 0.00 0.00 175.76 176.80 1bj1 s TYR 80 N -0.80 1.98 -0.25 0.00 2.02 -0.20 -0.73 117.35 119.37 1bj1 s TYR 80 Ca 0.13 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 1bj1 s TYR 80 Cb -0.10 -1.07 0.07 0.00 -0.40 0.00 0.00 41.96 40.45 1bj1 s TYR 80 CO 0.02 0.26 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.07 1bj1 s LEU 81 N -2.00 2.75 -0.23 -1.29 2.96 -0.45 -1.95 118.68 118.48 1bj1 s LEU 81 Ca 0.10 -1.32 -0.10 0.00 -0.22 0.00 0.00 54.13 52.59 1bj1 s LEU 81 Cb -0.10 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.35 1bj1 s LEU 81 CO 0.05 -0.27 0.14 -1.58 -1.32 0.00 0.00 176.35 173.37 1bj1 s GLN 82 N 1.37 4.06 -0.10 1.98 2.00 -0.62 -0.65 119.66 127.70 1bj1 s GLN 82 Ca -0.03 -0.28 0.03 0.00 -2.00 0.00 0.00 55.36 53.09 1bj1 s GLN 82 Cb -0.19 -3.47 -0.01 0.00 0.80 0.00 0.00 33.01 30.14 1bj1 s GLN 82 CO -0.08 0.12 -0.21 -1.64 -0.50 0.00 0.00 175.29 172.97 1bj1 s MET 83 N 0.88 3.03 0.22 1.67 -1.94 -0.17 -1.44 119.30 121.56 1bj1 s MET 83 Ca 0.07 -0.83 0.11 0.00 -1.71 0.00 0.00 55.69 53.33 1bj1 s MET 83 Cb -0.13 -2.36 -0.05 0.00 2.01 0.00 0.00 34.83 34.30 1bj1 s MET 83 CO 0.03 0.24 -0.20 -0.80 -0.01 0.00 0.00 175.02 174.27 1bj1 s ASN 84 N 0.22 3.25 -1.29 3.03 0.01 -0.52 -1.83 114.94 117.81 1bj1 s ASN 84 Ca -0.13 -0.94 -0.03 0.00 -0.71 0.00 0.00 52.86 51.04 1bj1 s ASN 84 Cb -0.17 -0.24 -0.00 0.00 0.41 0.00 0.00 41.25 41.25 1bj1 s ASN 84 CO 0.07 0.03 0.65 -1.20 -1.51 0.00 0.00 177.10 175.15 1bj1 n SER 85 N -0.11 -1.80 -4.77 -1.22 7.64 -1.12 -4.82 113.62 107.42 1bj1 n SER 85 Ca -0.10 -0.89 -0.40 0.00 1.01 0.00 0.00 58.87 58.50 1bj1 n SER 85 Cb 0.58 -3.77 -0.02 0.00 -1.01 0.00 0.00 64.21 59.99 1bj1 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1bj1 s LEU 86 N -6.65 4.35 0.39 -3.43 1.43 -0.89 -4.64 118.68 109.23 1bj1 s LEU 86 Ca 0.09 2.52 0.06 0.00 -1.03 0.00 0.00 54.13 55.77 1bj1 s LEU 86 Cb -0.03 -3.79 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 1bj1 s LEU 86 CO 0.83 -0.56 0.02 -0.13 0.23 0.00 0.00 176.35 176.75 1bj1 s ARG 87 N -1.95 1.89 0.56 1.70 0.52 -1.26 -0.31 118.95 120.10 1bj1 s ARG 87 Ca 0.52 -2.08 0.23 0.00 -0.52 0.00 0.00 55.73 53.88 1bj1 s ARG 87 Cb -0.36 -1.41 1.57 0.00 0.52 0.00 0.00 34.95 35.28 1bj1 s ARG 87 CO 0.46 -0.11 2.21 0.00 0.02 0.00 0.00 175.30 177.88 1bj1 h ALA 88 N 1.83 1.74 0.00 2.13 0.00 -1.97 -1.02 119.26 121.98 1bj1 h ALA 88 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1bj1 h ALA 88 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bj1 h ALA 88 CO 0.77 -0.00 0.00 -0.85 0.00 0.00 0.00 179.25 179.17 1bj1 n GLU 89 N -4.16 0.08 0.00 0.00 0.28 -1.26 -2.34 120.64 113.24 1bj1 n GLU 89 Ca -0.03 0.20 0.14 0.00 -0.16 0.00 0.00 57.16 57.31 1bj1 n GLU 89 Cb 0.09 -1.62 0.57 0.00 1.43 0.00 0.00 31.44 31.90 1bj1 n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1bj1 n ASP 90 N -1.77 0.08 -4.66 -1.84 8.00 -0.39 -4.86 116.55 111.12 1bj1 n ASP 90 Ca 0.05 0.34 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 1bj1 n ASP 90 Cb 0.28 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 1bj1 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bj1 s THR 91 N -2.97 3.07 -0.06 -3.53 2.01 -0.99 -4.91 115.64 108.26 1bj1 s THR 91 Ca 0.14 0.09 -0.32 0.00 0.31 0.00 0.00 61.69 61.91 1bj1 s THR 91 Cb 0.19 -3.06 0.13 0.00 0.01 0.00 0.00 72.50 69.78 1bj1 s THR 91 CO 0.55 -0.01 1.36 0.00 -0.69 0.00 0.00 174.62 175.83 1bj1 s ALA 92 N 4.58 -2.36 -0.15 7.40 0.00 -0.86 -4.38 121.76 125.99 1bj1 s ALA 92 Ca 0.88 0.87 -0.22 0.00 0.00 0.00 0.00 51.96 53.48 1bj1 s ALA 92 Cb -0.41 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 1bj1 s ALA 92 CO 0.40 -1.03 0.65 0.08 0.00 0.00 0.00 175.76 175.86 1bj1 s VAL 93 N -2.24 5.04 -0.18 0.00 1.01 -1.00 -1.29 120.40 121.73 1bj1 s VAL 93 Ca 0.14 1.27 -0.07 0.00 0.00 0.00 0.00 61.98 63.32 1bj1 s VAL 93 Cb 0.06 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1bj1 s VAL 93 CO -0.05 0.17 0.05 -0.31 0.00 0.00 0.00 175.10 174.96 1bj1 s TYR 94 N 1.47 3.22 0.20 5.22 1.51 0.41 -2.12 117.35 127.26 1bj1 s TYR 94 Ca 0.32 0.02 0.10 0.00 -1.01 0.00 0.00 57.07 56.49 1bj1 s TYR 94 Cb -0.16 -2.07 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 1bj1 s TYR 94 CO 0.13 0.12 -0.14 0.71 -1.11 0.00 0.00 175.55 175.26 1bj1 s TYR 95 N 0.39 2.51 0.07 2.71 2.02 0.13 -2.25 117.35 122.94 1bj1 s TYR 95 Ca 0.02 -0.27 0.09 0.00 -0.37 0.00 0.00 57.07 56.55 1bj1 s TYR 95 Cb -0.13 -1.22 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1bj1 s TYR 95 CO 0.01 0.53 -0.25 0.00 -1.57 0.00 0.00 175.55 174.26 1bj1 s ALA 97 N -0.88 -0.75 0.29 0.00 0.00 -0.59 -1.25 121.76 118.58 1bj1 s ALA 97 Ca 0.11 1.10 -0.08 0.00 0.00 0.00 0.00 51.96 53.09 1bj1 s ALA 97 Cb -0.10 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 1bj1 s ALA 97 CO 0.03 -0.20 0.60 -1.59 0.00 0.00 0.00 175.76 174.60 1bj1 s LYS 98 N 0.97 3.74 0.66 0.00 -2.85 -0.91 -0.51 119.74 120.84 1bj1 s LYS 98 Ca -0.07 0.23 -0.13 0.00 -1.00 0.00 0.00 55.97 55.00 1bj1 s LYS 98 Cb -0.07 -2.59 -0.01 0.00 -2.06 0.00 0.00 37.83 33.10 1bj1 s LYS 98 CO -0.07 0.20 1.07 0.71 0.10 0.00 0.00 175.35 177.36 1bj1 s TYR 99 N -2.03 2.96 0.67 1.78 2.02 -0.55 -1.71 117.35 120.49 1bj1 s TYR 99 Ca 0.47 1.49 -0.07 0.00 -0.37 0.00 0.00 57.07 58.59 1bj1 s TYR 99 Cb -0.11 -2.98 0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1bj1 s TYR 99 CO 0.26 -1.28 0.99 -1.25 -1.57 0.00 0.00 175.55 172.70 1bj1 s PRO 100 N -4.51 2.42 0.01 -1.71 0.04 -1.26 -4.74 135.00 125.25 1bj1 s PRO 100 Ca 0.62 -0.15 -0.27 0.00 0.04 0.00 0.00 61.00 61.24 1bj1 s PRO 100 Cb -0.16 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1bj1 s PRO 100 CO 0.46 -1.09 0.85 -1.58 0.04 0.00 0.00 177.00 175.68 1bj1 s HIS 101 N -3.19 3.68 0.46 0.56 2.46 -1.26 -5.03 115.29 112.98 1bj1 s HIS 101 Ca 0.58 1.54 0.08 0.00 0.47 0.00 0.00 55.06 57.73 1bj1 s HIS 101 Cb -0.11 -2.95 0.02 0.00 -0.13 0.00 0.00 32.58 29.41 1bj1 s HIS 101 CO 0.45 0.12 0.52 1.52 -2.47 0.00 0.00 174.74 174.89 1bj1 s TYR 102 N 0.52 2.39 -0.23 3.88 1.13 -1.26 -5.08 117.35 118.70 1bj1 s TYR 102 Ca 0.44 -0.54 -0.04 0.00 -1.41 0.00 0.00 57.07 55.52 1bj1 s TYR 102 Cb -0.20 -2.22 0.09 0.00 -1.10 0.00 0.00 41.96 38.52 1bj1 s TYR 102 CO 0.24 -0.45 0.15 0.71 -2.51 0.00 0.00 175.55 173.69 1bj1 s TYR 103 N -2.50 0.08 0.00 -3.49 2.02 -1.26 -4.96 117.35 107.25 1bj1 s TYR 103 Ca 0.52 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 1bj1 s TYR 103 Cb -0.06 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.82 1bj1 s TYR 103 CO 0.31 -0.68 0.00 0.41 -1.57 0.00 0.00 175.55 174.02 1bj1 n GLY 104 N 5.28 2.32 3.77 0.71 0.00 -1.26 -4.88 105.19 111.13 1bj1 n GLY 104 Ca -0.06 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1bj1 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bj1 s SER 105 N -3.63 4.80 -0.19 1.61 1.04 -1.26 -5.13 113.70 110.93 1bj1 s SER 105 Ca 0.00 -0.76 -0.09 0.00 0.48 0.00 0.00 55.95 55.58 1bj1 s SER 105 Cb 0.00 -0.72 -0.05 0.00 0.10 0.00 0.00 66.02 65.35 1bj1 s SER 105 CO 0.00 -0.38 0.11 -0.44 0.98 0.00 0.00 173.24 173.51 1bj1 s SER 106 N -3.91 6.06 -0.06 7.02 0.01 -1.26 -4.78 113.70 116.77 1bj1 s SER 106 Ca 0.40 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1bj1 s SER 106 Cb -0.02 -2.06 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1bj1 s SER 106 CO 0.24 0.18 -0.05 -1.00 0.41 0.00 0.00 173.24 173.02 1bj1 s HIS 107 N 0.34 0.92 -1.23 2.43 3.76 -1.26 -5.08 115.29 115.16 1bj1 s HIS 107 Ca 0.07 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.54 1bj1 s HIS 107 Cb -0.11 -0.83 0.17 0.00 1.11 0.00 0.00 32.58 32.92 1bj1 s HIS 107 CO -0.01 -0.28 1.57 0.91 -0.85 0.00 0.00 174.74 176.08 1bj1 n TRP 108 N 4.43 4.38 -4.30 1.40 5.03 -1.26 -4.76 117.44 122.35 1bj1 n TRP 108 Ca -0.18 -3.18 -0.24 0.00 3.03 0.00 0.00 57.50 56.93 1bj1 n TRP 108 Cb 0.51 -2.13 -0.08 0.00 -1.03 0.00 0.00 31.31 28.58 1bj1 n TRP 108 CO 0.00 0.00 0.00 1.52 -0.03 0.00 0.00 177.69 179.18 1bj1 s TYR 109 N 1.28 2.59 -0.27 -5.99 1.13 -1.26 -5.12 117.35 109.71 1bj1 s TYR 109 Ca 0.42 -0.34 -0.10 0.00 -1.41 0.00 0.00 57.07 55.63 1bj1 s TYR 109 Cb 0.01 -1.35 -0.05 0.00 -1.10 0.00 0.00 41.96 39.47 1bj1 s TYR 109 CO 0.00 0.53 0.17 -0.06 -2.51 0.00 0.00 175.55 173.69 1bj1 s PHE 110 N -2.44 3.21 -0.24 -3.49 0.08 -1.26 -4.06 117.98 109.78 1bj1 s PHE 110 Ca 0.33 0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.48 1bj1 s PHE 110 Cb -0.03 -2.35 -0.18 0.00 -0.57 0.00 0.00 43.02 39.89 1bj1 s PHE 110 CO 0.19 -0.17 -0.17 -0.40 -0.10 0.00 0.00 175.22 174.58 1bj1 n ASP 111 N 4.95 1.65 -4.28 1.36 5.75 -0.69 -4.92 116.55 120.37 1bj1 n ASP 111 Ca -0.14 -0.11 -0.32 0.00 -0.01 0.00 0.00 54.79 54.20 1bj1 n ASP 111 Cb 0.52 -0.13 -0.16 0.00 -1.03 0.00 0.00 41.12 40.32 1bj1 n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1bj1 s VAL 112 N -2.50 2.34 0.26 2.12 1.01 -1.26 -5.00 120.40 117.36 1bj1 s VAL 112 Ca -0.29 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 60.86 1bj1 s VAL 112 Cb 0.08 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 1bj1 s VAL 112 CO 0.63 0.56 -0.12 0.26 0.00 0.00 0.00 175.10 176.43 1bj1 s TRP 113 N 0.16 2.48 0.94 5.22 0.52 -1.26 -2.14 118.94 124.86 1bj1 s TRP 113 Ca -0.12 -0.28 -0.15 0.00 0.02 0.00 0.00 56.10 55.57 1bj1 s TRP 113 Cb -0.16 -1.11 0.21 0.00 -1.15 0.00 0.00 33.47 31.26 1bj1 s TRP 113 CO 0.06 0.64 1.28 0.41 0.02 0.00 0.00 176.95 179.36 1bj1 n GLY 114 N -0.57 -1.31 0.13 0.98 0.00 -0.38 -4.49 105.19 99.55 1bj1 n GLY 114 Ca -0.07 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.34 1bj1 n GLY 114 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1bj1 h GLN 115 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.45 115.11 111.35 1bj1 h GLN 115 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.24 1bj1 h GLN 115 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 1bj1 h GLN 115 CO 0.30 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.54 1bj1 n GLY 116 N 1.11 -1.32 3.20 0.06 0.00 -1.26 -5.06 105.19 101.93 1bj1 n GLY 116 Ca 0.05 -1.28 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 1bj1 n GLY 116 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bj1 s THR 117 N -1.56 1.63 -0.07 2.61 -4.23 -0.95 -4.90 115.64 108.18 1bj1 s THR 117 Ca 0.00 -0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 59.42 1bj1 s THR 117 Cb 0.00 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 1bj1 s THR 117 CO 0.00 0.46 0.68 -0.22 -0.54 0.00 0.00 174.62 175.00 1bj1 s LEU 118 N -0.27 4.32 -0.22 4.79 0.20 -1.26 -0.44 118.68 125.79 1bj1 s LEU 118 Ca 0.03 1.16 -0.00 0.00 0.69 0.00 0.00 54.13 56.01 1bj1 s LEU 118 Cb -0.10 -3.05 0.03 0.00 -0.43 0.00 0.00 46.19 42.64 1bj1 s LEU 118 CO 0.01 -0.09 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.17 1bj1 s VAL 119 N 0.73 2.50 -0.23 1.68 1.01 -0.42 -1.40 120.40 124.27 1bj1 s VAL 119 Ca 0.36 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1bj1 s VAL 119 Cb -0.18 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1bj1 s VAL 119 CO 0.18 0.29 -0.05 0.28 0.00 0.00 0.00 175.10 175.80 1bj1 s THR 120 N 1.28 3.21 -0.54 3.92 -1.32 -0.83 -2.04 115.64 119.32 1bj1 s THR 120 Ca 0.01 -0.67 -0.20 0.00 -1.21 0.00 0.00 61.69 59.62 1bj1 s THR 120 Cb -0.16 -2.51 0.07 0.00 -1.51 0.00 0.00 72.50 68.39 1bj1 s THR 120 CO -0.07 0.35 0.70 -0.69 -2.21 0.00 0.00 174.62 172.69 1bj1 s VAL 121 N 1.43 4.78 -0.05 5.08 1.01 -1.26 -0.71 120.40 130.68 1bj1 s VAL 121 Ca 0.04 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 1bj1 s VAL 121 Cb -0.15 -4.40 0.05 0.00 0.00 0.00 0.00 36.38 31.89 1bj1 s VAL 121 CO -0.04 -0.96 0.53 -0.55 0.00 0.00 0.00 175.10 174.08 1bj1 s SER 122 N 3.01 -0.48 0.07 3.32 0.15 0.17 -4.50 113.70 115.44 1bj1 s SER 122 Ca 0.16 0.52 0.27 0.00 0.70 0.00 0.00 55.95 57.60 1bj1 s SER 122 Cb -0.20 0.51 0.87 0.00 -1.71 0.00 0.00 66.02 65.49 1bj1 s SER 122 CO 0.11 -0.51 1.71 -1.54 1.20 0.00 0.00 173.24 174.21 1bj1 n SER 123 N 1.22 0.39 -4.53 5.45 3.41 -1.26 -4.01 113.62 114.29 1bj1 n SER 123 Ca -0.19 0.32 -0.29 0.00 -0.26 0.00 0.00 58.87 58.44 1bj1 n SER 123 Cb 0.57 -0.33 0.23 0.00 -0.26 0.00 0.00 64.21 64.41 1bj1 n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bj1 n ALA 124 N -1.61 -2.26 -2.85 7.33 0.00 -1.26 -5.02 120.51 114.84 1bj1 n ALA 124 Ca 0.06 -0.98 -0.28 0.00 0.00 0.00 0.00 53.44 52.24 1bj1 n ALA 124 Cb 0.37 -2.05 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 1bj1 n ALA 124 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1bj1 s SER 125 N -2.46 6.38 0.45 0.00 0.01 -1.26 -5.03 113.70 111.77 1bj1 s SER 125 Ca 0.68 0.32 -0.23 0.00 1.31 0.00 0.00 55.95 58.02 1bj1 s SER 125 Cb -0.24 -1.98 -0.08 0.00 0.21 0.00 0.00 66.02 63.93 1bj1 s SER 125 CO 0.63 0.04 1.17 -0.89 0.41 0.00 0.00 173.24 174.60 1bj1 s THR 126 N -1.74 3.10 -0.24 1.44 2.01 -1.26 -4.71 115.64 114.24 1bj1 s THR 126 Ca 0.37 0.85 -0.10 0.00 0.31 0.00 0.00 61.69 63.11 1bj1 s THR 126 Cb -0.12 -3.44 0.09 0.00 0.01 0.00 0.00 72.50 69.04 1bj1 s THR 126 CO 0.28 0.01 0.54 -0.75 -0.69 0.00 0.00 174.62 174.02 1bj1 s LYS 127 N -2.60 0.50 0.54 4.92 2.20 0.68 -4.91 119.74 121.06 1bj1 s LYS 127 Ca 0.62 1.14 -0.16 0.00 -0.36 0.00 0.00 55.97 57.21 1bj1 s LYS 127 Cb -0.29 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.32 1bj1 s LYS 127 CO 0.36 -0.19 1.01 0.20 -0.36 0.00 0.00 175.35 176.37 1bj1 s GLY 128 N 2.20 2.09 0.65 5.54 0.00 -1.26 -0.65 107.32 115.88 1bj1 s GLY 128 Ca -0.07 0.26 -0.11 0.00 0.00 0.00 0.00 44.72 44.80 1bj1 s GLY 128 CO -0.16 0.55 1.05 2.56 0.00 0.00 0.00 173.10 177.10 1bj1 s PRO 129 N -4.07 3.36 -0.11 2.90 0.04 -1.26 -4.59 135.00 131.27 1bj1 s PRO 129 Ca 0.61 0.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.30 1bj1 s PRO 129 Cb -0.12 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1bj1 s PRO 129 CO 0.33 -0.72 -0.04 -1.12 0.04 0.00 0.00 177.00 175.49 1bj1 s SER 130 N -4.22 4.86 -0.17 6.66 0.01 -0.45 -4.94 113.70 115.45 1bj1 s SER 130 Ca 0.56 -0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 1bj1 s SER 130 Cb -0.11 -1.48 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1bj1 s SER 130 CO 0.53 0.29 -0.11 -0.69 0.41 0.00 0.00 173.24 173.67 1bj1 s VAL 131 N -0.39 2.96 0.09 3.43 1.01 -1.26 -1.17 120.40 125.08 1bj1 s VAL 131 Ca 0.06 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.48 1bj1 s VAL 131 Cb -0.12 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1bj1 s VAL 131 CO 0.02 0.49 -0.24 -0.36 0.00 0.00 0.00 175.10 175.01 1bj1 s PHE 132 N 0.93 2.06 0.27 5.22 0.08 -0.23 -4.98 117.98 121.33 1bj1 s PHE 132 Ca -0.02 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.45 1bj1 s PHE 132 Cb -0.15 -1.15 -0.09 0.00 -0.57 0.00 0.00 43.02 41.06 1bj1 s PHE 132 CO -0.01 0.22 0.75 -1.25 -0.10 0.00 0.00 175.22 174.84 1bj1 s PRO 133 N -1.74 4.18 -0.72 0.24 0.04 -1.26 -0.93 135.00 134.81 1bj1 s PRO 133 Ca 0.10 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 1bj1 s PRO 133 Cb -0.10 -2.68 0.18 0.00 0.04 0.00 0.00 34.50 31.94 1bj1 s PRO 133 CO 0.04 0.28 0.55 -0.51 0.04 0.00 0.00 177.00 177.40 1bj1 s LEU 134 N -2.39 5.17 0.31 -3.56 1.43 0.28 -4.83 118.68 115.09 1bj1 s LEU 134 Ca 0.48 -3.34 -0.29 0.00 -1.03 0.00 0.00 54.13 49.95 1bj1 s LEU 134 Cb -0.14 -1.81 -0.10 0.00 0.03 0.00 0.00 46.19 44.16 1bj1 s LEU 134 CO 0.19 -0.24 1.34 0.00 0.23 0.00 0.00 176.35 177.87 1bj1 s ALA 135 N -0.77 3.53 0.89 4.21 0.00 -1.26 -1.00 121.76 127.35 1bj1 s ALA 135 Ca 0.22 1.27 -0.11 0.00 0.00 0.00 0.00 51.96 53.35 1bj1 s ALA 135 Cb -0.14 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.61 1bj1 s ALA 135 CO -0.08 -0.67 1.15 -1.25 0.00 0.00 0.00 175.76 174.91 1bj1 s PRO 136 N -1.43 1.20 0.00 0.00 0.04 -1.26 -4.91 135.00 128.64 1bj1 s PRO 136 Ca 0.51 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.11 1bj1 s PRO 136 Cb -0.40 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1bj1 s PRO 136 CO 0.51 -2.50 0.00 0.43 0.04 0.00 0.00 177.00 175.48 1bj1 n SER 137 N -4.04 -0.45 0.00 6.66 7.64 -1.26 -4.59 113.62 117.57 1bj1 n SER 137 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1bj1 n SER 137 Cb 0.52 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1bj1 n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bj1 n GLY 144 N 2.32 0.34 3.52 0.23 0.00 -1.26 -5.11 105.19 105.23 1bj1 n GLY 144 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1bj1 n GLY 144 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bj1 s THR 145 N 0.00 3.70 0.14 2.61 2.01 -1.26 -0.21 115.64 122.63 1bj1 s THR 145 Ca 0.00 -0.45 0.10 0.00 0.31 0.00 0.00 61.69 61.65 1bj1 s THR 145 Cb 0.00 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1bj1 s THR 145 CO 0.00 0.54 -0.19 0.00 -0.69 0.00 0.00 174.62 174.29 1bj1 s ALA 146 N -0.13 2.67 0.12 7.40 0.00 -0.19 -4.78 121.76 126.85 1bj1 s ALA 146 Ca 0.02 -1.43 0.10 0.00 0.00 0.00 0.00 51.96 50.65 1bj1 s ALA 146 Cb -0.13 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1bj1 s ALA 146 CO 0.03 0.54 -0.22 0.00 0.00 0.00 0.00 175.76 176.11 1bj1 s ALA 147 N -1.30 2.55 0.23 0.00 0.00 -1.26 -0.76 121.76 121.22 1bj1 s ALA 147 Ca 0.19 -1.39 -0.19 0.00 0.00 0.00 0.00 51.96 50.57 1bj1 s ALA 147 Cb -0.10 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.51 1bj1 s ALA 147 CO 0.10 0.57 0.60 -0.48 0.00 0.00 0.00 175.76 176.55 1bj1 s LEU 148 N -2.07 -0.09 0.00 0.00 0.05 -0.76 -4.07 118.68 111.74 1bj1 s LEU 148 Ca 0.16 -0.54 0.00 0.00 0.05 0.00 0.00 54.13 53.80 1bj1 s LEU 148 Cb -0.10 2.37 0.00 0.00 -2.05 0.00 0.00 46.19 46.40 1bj1 s LEU 148 CO 0.08 -1.17 0.00 0.61 -0.55 0.00 0.00 176.35 175.32 1bj1 n GLY 149 N -0.40 -0.59 3.15 -3.48 0.00 -0.17 -1.18 105.19 102.52 1bj1 n GLY 149 Ca -0.07 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1bj1 n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj1 s LEU 151 N -0.50 4.03 -0.45 0.00 2.96 -0.11 -1.66 118.68 122.96 1bj1 s LEU 151 Ca -0.06 -0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 1bj1 s LEU 151 Cb -0.04 -2.10 0.08 0.00 0.50 0.00 0.00 46.19 44.63 1bj1 s LEU 151 CO 0.01 -0.08 0.33 -0.69 -1.32 0.00 0.00 176.35 174.61 1bj1 s VAL 152 N 1.74 4.71 0.11 1.68 1.01 0.25 -1.06 120.40 128.83 1bj1 s VAL 152 Ca 0.07 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1bj1 s VAL 152 Cb -0.16 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1bj1 s VAL 152 CO 0.10 -0.56 -0.02 -0.54 0.00 0.00 0.00 175.10 174.07 1bj1 s LYS 153 N 1.53 2.43 -0.75 2.72 1.02 -0.32 -1.23 119.74 125.13 1bj1 s LYS 153 Ca 0.04 -0.93 -0.02 0.00 0.02 0.00 0.00 55.97 55.08 1bj1 s LYS 153 Cb -0.24 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 1bj1 s LYS 153 CO 0.04 0.52 0.66 -0.25 -0.92 0.00 0.00 175.35 175.40 1bj1 n ASP 154 N 0.47 -6.67 -4.31 2.83 8.00 -0.45 -1.34 116.55 115.08 1bj1 n ASP 154 Ca -0.11 -0.38 -0.16 0.00 0.71 0.00 0.00 54.79 54.85 1bj1 n ASP 154 Cb 0.53 -3.89 -0.10 0.00 -0.02 0.00 0.00 41.12 37.63 1bj1 n ASP 154 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1bj1 s TYR 155 N -2.94 1.48 -0.28 1.24 1.13 -1.11 -4.32 117.35 112.55 1bj1 s TYR 155 Ca 0.02 -0.82 -0.20 0.00 -1.41 0.00 0.00 57.07 54.66 1bj1 s TYR 155 Cb -0.00 -0.80 0.11 0.00 -1.10 0.00 0.00 41.96 40.16 1bj1 s TYR 155 CO 0.81 0.06 0.88 0.12 -2.51 0.00 0.00 175.55 174.90 1bj1 s PHE 156 N -3.32 -0.70 0.00 -3.49 5.36 0.18 -1.65 117.98 114.35 1bj1 s PHE 156 Ca 0.23 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1bj1 s PHE 156 Cb 0.04 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.13 1bj1 s PHE 156 CO 0.06 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 173.12 1bj1 n PRO 157 N 3.26 1.16 -1.75 10.12 -0.04 -1.26 -0.23 135.00 146.25 1bj1 n PRO 157 Ca -0.16 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.99 1bj1 n PRO 157 Cb 0.57 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.08 1bj1 n PRO 157 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1bj1 s GLU 158 N -0.92 2.80 0.34 0.54 2.02 -1.26 -4.78 118.70 117.44 1bj1 s GLU 158 Ca 0.00 0.63 0.08 0.00 0.02 0.00 0.00 54.97 55.70 1bj1 s GLU 158 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 1bj1 s GLU 158 CO 0.00 -1.12 0.20 -1.25 0.02 0.00 0.00 175.26 173.11 1bj1 s PRO 159 N -5.23 2.49 0.11 0.39 0.04 -1.26 -4.93 135.00 126.61 1bj1 s PRO 159 Ca 0.58 -1.47 0.07 0.00 0.04 0.00 0.00 61.00 60.22 1bj1 s PRO 159 Cb -0.12 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1bj1 s PRO 159 CO 0.53 0.09 -0.10 0.08 0.04 0.00 0.00 177.00 177.64 1bj1 s VAL 160 N -2.39 3.33 -0.03 -0.36 1.01 -1.26 -4.46 120.40 116.24 1bj1 s VAL 160 Ca 0.39 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 61.13 1bj1 s VAL 160 Cb -0.03 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.76 1bj1 s VAL 160 CO 0.24 0.09 -0.25 -0.89 0.00 0.00 0.00 175.10 174.29 1bj1 s THR 161 N -1.25 2.14 -0.02 3.92 2.01 0.26 -4.97 115.64 117.72 1bj1 s THR 161 Ca 0.22 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1bj1 s THR 161 Cb -0.11 -1.75 0.03 0.00 0.01 0.00 0.00 72.50 70.68 1bj1 s THR 161 CO 0.14 0.58 0.01 -0.69 -0.69 0.00 0.00 174.62 173.96 1bj1 s VAL 162 N -0.51 0.11 0.17 3.82 1.01 -1.26 -1.11 120.40 122.63 1bj1 s VAL 162 Ca 0.07 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1bj1 s VAL 162 Cb -0.11 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 1bj1 s VAL 162 CO 0.00 0.12 -0.01 -0.94 0.00 0.00 0.00 175.10 174.27 1bj1 s SER 163 N 0.95 1.28 -0.08 3.32 1.04 -0.44 -4.97 113.70 114.79 1bj1 s SER 163 Ca -0.09 -1.15 0.04 0.00 0.48 0.00 0.00 55.95 55.22 1bj1 s SER 163 Cb -0.12 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.08 1bj1 s SER 163 CO -0.02 -0.54 -0.20 0.26 0.98 0.00 0.00 173.24 173.72 1bj1 s TRP 164 N -3.62 2.60 -1.44 5.02 0.52 -1.26 -0.52 118.94 120.24 1bj1 s TRP 164 Ca 0.23 -0.69 -0.06 0.00 0.02 0.00 0.00 56.10 55.59 1bj1 s TRP 164 Cb 0.06 -1.69 0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1bj1 s TRP 164 CO 0.03 -0.20 0.74 0.09 0.02 0.00 0.00 176.95 177.64 1bj1 n ASN 165 N 3.13 -2.41 -1.51 2.95 3.02 0.49 -0.79 115.26 120.15 1bj1 n ASN 165 Ca -0.18 -0.86 -0.20 0.00 -0.03 0.00 0.00 54.58 53.31 1bj1 n ASN 165 Cb 0.52 -3.66 -0.08 0.00 -0.61 0.00 0.00 39.78 35.95 1bj1 n ASN 165 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1bj1 n SER 166 N -2.93 -5.45 0.00 6.41 7.64 -1.26 -1.53 113.62 116.50 1bj1 n SER 166 Ca -0.15 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1bj1 n SER 166 Cb 0.61 -4.68 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 1bj1 n SER 166 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bj1 n GLY 167 N -0.44 0.29 0.22 0.23 0.00 0.03 -4.95 105.19 100.57 1bj1 n GLY 167 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1bj1 n GLY 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bj1 h ALA 168 N 0.00 1.11 -3.30 4.61 0.00 -1.18 -3.40 119.26 117.09 1bj1 h ALA 168 Ca 0.00 -0.23 -0.69 0.00 0.00 0.00 0.00 54.91 53.99 1bj1 h ALA 168 Cb 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 17.42 1bj1 h ALA 168 CO 0.00 0.32 -0.62 -1.17 0.00 0.00 0.00 179.25 177.78 1bj1 s LEU 169 N -7.13 4.52 -0.01 0.00 2.96 -1.10 -4.92 118.68 113.00 1bj1 s LEU 169 Ca -0.01 -1.56 0.02 0.00 -0.22 0.00 0.00 54.13 52.36 1bj1 s LEU 169 Cb 0.12 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1bj1 s LEU 169 CO 0.65 -0.39 0.03 0.35 -1.32 0.00 0.00 176.35 175.67 1bj1 n THR 170 N 4.64 0.07 -2.98 3.68 -2.24 -1.26 -4.23 114.28 111.96 1bj1 n THR 170 Ca -0.09 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.22 1bj1 n THR 170 Cb 0.43 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 1bj1 n THR 170 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bj1 s SER 171 N -2.71 7.26 0.00 3.42 1.04 -1.26 -3.46 113.70 117.98 1bj1 s SER 171 Ca -0.01 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1bj1 s SER 171 Cb 0.01 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1bj1 s SER 171 CO 0.10 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1bj1 n GLY 172 N 2.22 0.76 3.74 7.32 0.00 -1.26 -4.76 105.19 113.21 1bj1 n GLY 172 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1bj1 n GLY 172 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bj1 s VAL 173 N -2.84 5.02 -0.12 1.61 1.01 -1.23 -2.43 120.40 121.43 1bj1 s VAL 173 Ca 0.00 1.21 -0.01 0.00 0.00 0.00 0.00 61.98 63.17 1bj1 s VAL 173 Cb 0.00 -3.92 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1bj1 s VAL 173 CO 0.00 0.36 -0.01 -1.00 0.00 0.00 0.00 175.10 174.45 1bj1 s HIS 174 N 0.25 1.02 -0.29 5.22 3.76 0.69 -4.99 115.29 120.95 1bj1 s HIS 174 Ca 0.31 -0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 54.61 1bj1 s HIS 174 Cb -0.17 -0.99 0.01 0.00 1.11 0.00 0.00 32.58 32.53 1bj1 s HIS 174 CO 0.15 -0.47 0.07 0.99 -0.85 0.00 0.00 174.74 174.64 1bj1 s THR 175 N 1.86 3.90 0.46 1.30 2.01 -1.26 -0.37 115.64 123.53 1bj1 s THR 175 Ca 0.03 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.14 1bj1 s THR 175 Cb -0.14 -3.00 -0.10 0.00 0.01 0.00 0.00 72.50 69.27 1bj1 s THR 175 CO -0.07 0.10 0.97 -0.36 -0.69 0.00 0.00 174.62 174.57 1bj1 s PHE 176 N 1.49 3.31 0.34 4.92 0.08 -0.27 -5.00 117.98 122.85 1bj1 s PHE 176 Ca 0.03 1.57 -0.29 0.00 0.12 0.00 0.00 56.93 58.36 1bj1 s PHE 176 Cb -0.17 -2.86 -0.11 0.00 -0.57 0.00 0.00 43.02 39.31 1bj1 s PHE 176 CO 0.02 -0.27 1.48 -2.14 -0.10 0.00 0.00 175.22 174.21 1bj1 s PRO 177 N -3.43 4.15 0.60 0.24 0.02 -1.26 -4.55 135.00 130.78 1bj1 s PRO 177 Ca 0.62 2.51 -0.19 0.00 0.02 0.00 0.00 61.00 63.95 1bj1 s PRO 177 Cb -0.10 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 31.39 1bj1 s PRO 177 CO 0.19 -0.50 1.30 0.00 -0.33 0.00 0.00 177.00 177.66 1bj1 s ALA 178 N -0.82 2.55 -0.05 -1.55 0.00 -1.26 -4.87 121.76 115.76 1bj1 s ALA 178 Ca 0.55 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.79 1bj1 s ALA 178 Cb -0.46 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.11 1bj1 s ALA 178 CO 0.57 -1.45 -0.22 0.54 0.00 0.00 0.00 175.76 175.20 1bj1 s VAL 179 N -1.39 1.82 -0.20 0.00 0.11 -0.77 -4.95 120.40 115.02 1bj1 s VAL 179 Ca 0.78 -0.94 -0.25 0.00 -2.93 0.00 0.00 61.98 58.64 1bj1 s VAL 179 Cb -0.37 -1.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.93 1bj1 s VAL 179 CO 0.41 0.51 0.84 -0.22 -3.33 0.00 0.00 175.10 173.31 1bj1 s LEU 180 N -0.17 4.13 0.56 2.54 0.20 -1.26 -2.39 118.68 122.29 1bj1 s LEU 180 Ca -0.02 1.12 -0.08 0.00 0.69 0.00 0.00 54.13 55.84 1bj1 s LEU 180 Cb -0.12 -3.22 -0.03 0.00 -0.43 0.00 0.00 46.19 42.39 1bj1 s LEU 180 CO 0.02 -0.46 0.91 -1.10 -0.29 0.00 0.00 176.35 175.43 1bj1 s GLN 181 N 2.49 3.43 0.52 1.98 -0.21 -0.17 -4.94 119.66 122.77 1bj1 s GLN 181 Ca 0.37 0.38 0.27 0.00 0.02 0.00 0.00 55.36 56.40 1bj1 s GLN 181 Cb -0.16 -2.24 1.40 0.00 1.00 0.00 0.00 33.01 33.01 1bj1 s GLN 181 CO 0.10 -0.45 1.92 0.66 -2.12 0.00 0.00 175.29 175.40 1bj1 h SER 182 N -0.07 0.06 0.84 5.90 4.64 -1.97 0.19 113.55 123.13 1bj1 h SER 182 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1bj1 h SER 182 Cb 1.21 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1bj1 h SER 182 CO 0.62 0.02 0.00 0.77 -0.87 0.00 0.00 176.83 177.37 1bj1 h SER 183 N 0.06 0.00 0.00 4.97 4.64 -2.03 -3.46 113.55 117.74 1bj1 h SER 183 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1bj1 h SER 183 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1bj1 h SER 183 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1bj1 n GLY 184 N -0.14 0.82 3.58 -0.77 0.00 0.66 -5.07 105.19 104.27 1bj1 n GLY 184 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1bj1 n GLY 184 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bj1 s LEU 185 N 0.00 3.02 0.67 0.99 1.43 -1.26 -4.89 118.68 118.65 1bj1 s LEU 185 Ca 0.00 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1bj1 s LEU 185 Cb 0.00 -1.79 0.07 0.00 0.03 0.00 0.00 46.19 44.50 1bj1 s LEU 185 CO 0.00 0.15 0.95 -0.31 0.23 0.00 0.00 176.35 177.37 1bj1 s TYR 186 N -1.36 2.63 -0.14 0.29 2.02 -0.66 -1.00 117.35 119.13 1bj1 s TYR 186 Ca 0.22 0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.81 1bj1 s TYR 186 Cb -0.10 -3.07 0.08 0.00 -0.40 0.00 0.00 41.96 38.47 1bj1 s TYR 186 CO 0.14 -1.34 0.75 0.45 -1.57 0.00 0.00 175.55 173.98 1bj1 s SER 187 N -4.54 -0.64 0.18 2.29 0.15 -1.00 -1.34 113.70 108.79 1bj1 s SER 187 Ca 0.61 0.92 -0.16 0.00 0.70 0.00 0.00 55.95 58.01 1bj1 s SER 187 Cb -0.09 0.81 0.03 0.00 -1.71 0.00 0.00 66.02 65.06 1bj1 s SER 187 CO 0.43 -0.45 0.47 -1.48 1.20 0.00 0.00 173.24 173.42 1bj1 s LEU 188 N -0.62 0.22 0.01 3.45 0.05 -0.37 -1.84 118.68 119.57 1bj1 s LEU 188 Ca -0.06 -0.47 0.05 0.00 0.05 0.00 0.00 54.13 53.70 1bj1 s LEU 188 Cb -0.02 2.00 -0.01 0.00 -2.05 0.00 0.00 46.19 46.10 1bj1 s LEU 188 CO 0.05 -0.99 -0.15 -0.44 -0.55 0.00 0.00 176.35 174.28 1bj1 s SER 189 N -2.86 1.74 -0.08 1.48 0.01 -1.26 -0.59 113.70 112.13 1bj1 s SER 189 Ca 0.08 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.05 1bj1 s SER 189 Cb 0.00 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1bj1 s SER 189 CO -0.05 0.14 -0.21 -0.55 0.41 0.00 0.00 173.24 172.98 1bj1 s SER 190 N -0.62 2.74 0.10 2.44 0.15 -0.66 -1.12 113.70 116.73 1bj1 s SER 190 Ca 0.05 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.26 1bj1 s SER 190 Cb -0.06 -1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 63.07 1bj1 s SER 190 CO 0.00 0.15 -0.12 -0.69 1.20 0.00 0.00 173.24 173.78 1bj1 s VAL 191 N 0.31 1.10 -0.14 4.45 1.01 0.50 -0.96 120.40 126.66 1bj1 s VAL 191 Ca -0.15 -1.61 -0.12 0.00 0.00 0.00 0.00 61.98 60.10 1bj1 s VAL 191 Cb -0.16 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 34.89 1bj1 s VAL 191 CO 0.07 -0.46 0.36 0.54 0.00 0.00 0.00 175.10 175.61 1bj1 s VAL 192 N -2.14 -0.01 -0.16 2.92 0.11 -0.32 -0.22 120.40 120.58 1bj1 s VAL 192 Ca 0.05 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.05 1bj1 s VAL 192 Cb -0.05 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1bj1 s VAL 192 CO 0.01 0.01 0.09 0.42 -3.33 0.00 0.00 175.10 172.30 1bj1 s THR 193 N 0.41 5.03 0.22 5.04 -4.23 -1.02 -1.82 115.64 119.26 1bj1 s THR 193 Ca -0.02 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1bj1 s THR 193 Cb -0.04 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 1bj1 s THR 193 CO -0.02 0.51 0.04 0.68 -0.54 0.00 0.00 174.62 175.29 1bj1 s VAL 194 N -0.12 0.72 0.22 2.29 -7.23 0.06 -4.77 120.40 111.57 1bj1 s VAL 194 Ca 0.08 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 1bj1 s VAL 194 Cb -0.12 -2.36 -0.09 0.00 0.56 0.00 0.00 36.38 34.37 1bj1 s VAL 194 CO 0.01 -0.27 1.34 -2.84 -0.31 0.00 0.00 175.10 173.03 1bj1 s PRO 195 N -3.95 4.36 0.56 4.82 0.02 -1.26 -1.02 135.00 138.54 1bj1 s PRO 195 Ca 0.30 2.12 0.28 0.00 0.02 0.00 0.00 61.00 63.72 1bj1 s PRO 195 Cb 0.07 -3.17 1.47 0.00 0.02 0.00 0.00 34.50 32.89 1bj1 s PRO 195 CO 0.09 -0.28 1.96 1.03 -0.33 0.00 0.00 177.00 179.46 1bj1 h SER 196 N 5.14 0.00 0.63 2.53 0.87 -0.89 -2.04 113.55 119.79 1bj1 h SER 196 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1bj1 h SER 196 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1bj1 h SER 196 CO 0.76 0.00 -0.32 -1.54 -0.53 0.00 0.00 176.83 175.20 1bj1 n SER 197 N -4.05 0.37 -0.16 6.23 3.41 -1.26 -3.74 113.62 114.42 1bj1 n SER 197 Ca 0.09 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.77 1bj1 n SER 197 Cb 0.65 0.01 0.39 0.00 -0.26 0.00 0.00 64.21 64.99 1bj1 n SER 197 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bj1 n SER 198 N -1.44 0.79 0.12 4.04 3.41 -0.77 -4.39 113.62 115.38 1bj1 n SER 198 Ca 0.07 -0.65 0.18 0.00 -0.26 0.00 0.00 58.87 58.20 1bj1 n SER 198 Cb 0.33 0.11 0.75 0.00 -0.26 0.00 0.00 64.21 65.15 1bj1 n SER 198 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1bj1 h LEU 199 N 0.80 0.00 0.00 1.04 3.38 -1.67 0.24 115.31 119.09 1bj1 h LEU 199 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bj1 h LEU 199 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1bj1 h LEU 199 CO 0.00 0.00 -1.64 0.61 0.09 0.00 0.00 178.44 177.50 1bj1 n GLY 200 N -1.51 -1.07 0.05 0.83 0.00 -1.26 -4.57 105.19 97.65 1bj1 n GLY 200 Ca 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.55 1bj1 n GLY 200 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bj1 n THR 201 N -2.15 0.67 -3.89 2.61 -2.24 -1.02 -5.01 114.28 103.25 1bj1 n THR 201 Ca -0.02 -0.47 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 1bj1 n THR 201 Cb 0.52 -0.51 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 1bj1 n THR 201 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1bj1 s GLN 202 N -2.41 3.53 -0.14 -0.78 2.00 0.80 -5.09 119.66 117.57 1bj1 s GLN 202 Ca -0.06 -0.16 -0.08 0.00 -2.00 0.00 0.00 55.36 53.06 1bj1 s GLN 202 Cb 0.04 -3.20 -0.04 0.00 0.80 0.00 0.00 33.01 30.61 1bj1 s GLN 202 CO 0.50 0.70 0.14 0.99 -0.50 0.00 0.00 175.29 177.13 1bj1 s THR 203 N -0.81 5.47 -0.15 -0.34 2.01 -1.26 -4.76 115.64 115.80 1bj1 s THR 203 Ca 0.14 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.37 1bj1 s THR 203 Cb -0.12 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1bj1 s THR 203 CO 0.03 0.56 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.05 1bj1 s TYR 204 N -0.61 2.38 -0.06 4.92 2.02 -1.26 -4.96 117.35 119.77 1bj1 s TYR 204 Ca 0.13 -1.32 0.05 0.00 -0.37 0.00 0.00 57.07 55.56 1bj1 s TYR 204 Cb -0.12 -1.69 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1bj1 s TYR 204 CO 0.02 -0.68 -0.21 0.42 -1.57 0.00 0.00 175.55 173.53 1bj1 s ILE 205 N 1.29 1.77 -0.21 2.71 -1.09 -1.26 -1.33 121.20 123.09 1bj1 s ILE 205 Ca 0.02 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 1bj1 s ILE 205 Cb -0.13 -1.52 -0.04 0.00 -1.58 0.00 0.00 42.46 39.19 1bj1 s ILE 205 CO -0.09 0.50 0.06 0.00 -1.23 0.00 0.00 174.94 174.18 1bj1 s ASN 207 N 0.88 6.02 -0.12 0.00 -0.87 0.32 -1.22 114.94 119.96 1bj1 s ASN 207 Ca 0.03 -0.80 -0.03 0.00 -1.57 0.00 0.00 52.86 50.50 1bj1 s ASN 207 Cb -0.14 -2.13 -0.03 0.00 -0.02 0.00 0.00 41.25 38.93 1bj1 s ASN 207 CO 0.02 -0.38 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.48 1bj1 s VAL 208 N 1.67 4.22 -0.05 1.60 1.01 -0.26 -1.33 120.40 127.26 1bj1 s VAL 208 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1bj1 s VAL 208 Cb -0.19 -2.82 0.03 0.00 0.00 0.00 0.00 36.38 33.40 1bj1 s VAL 208 CO 0.09 0.55 -0.00 0.21 0.00 0.00 0.00 175.10 175.95 1bj1 s ASN 209 N -0.30 1.10 -0.43 3.32 3.04 -0.27 -1.41 114.94 119.99 1bj1 s ASN 209 Ca 0.06 -0.06 0.03 0.00 0.04 0.00 0.00 52.86 52.94 1bj1 s ASN 209 Cb -0.12 -0.35 0.12 0.00 -1.54 0.00 0.00 41.25 39.36 1bj1 s ASN 209 CO 0.02 -0.15 0.17 -2.28 -3.04 0.00 0.00 177.10 171.82 1bj1 s HIS 210 N 1.53 3.09 0.16 0.43 5.65 0.44 -0.58 115.29 126.02 1bj1 s HIS 210 Ca -0.02 -2.89 -0.14 0.00 0.25 0.00 0.00 55.06 52.26 1bj1 s HIS 210 Cb -0.13 -2.63 0.05 0.00 -1.18 0.00 0.00 32.58 28.68 1bj1 s HIS 210 CO -0.03 -0.83 1.77 0.87 -0.65 0.00 0.00 174.74 175.87 1bj1 h LYS 211 N 7.06 0.71 -1.09 2.88 1.57 -1.80 -1.69 116.57 124.20 1bj1 h LYS 211 Ca -0.06 -0.08 0.30 0.00 -1.87 0.00 0.00 60.65 58.93 1bj1 h LYS 211 Cb 0.95 -0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.03 1bj1 h LYS 211 CO 0.58 0.55 0.72 -1.35 -0.57 0.00 0.00 179.45 179.39 1bj1 h PRO 212 N 0.67 0.28 -0.07 3.15 0.11 -1.92 0.29 132.00 134.51 1bj1 h PRO 212 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1bj1 h PRO 212 Cb 0.05 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1bj1 h PRO 212 CO -0.03 0.18 0.00 -1.13 -0.21 0.00 0.00 178.00 176.81 1bj1 n SER 213 N -4.55 2.34 -3.52 -2.05 3.41 -1.20 -5.00 113.62 103.05 1bj1 n SER 213 Ca 0.27 -1.66 -0.20 0.00 -0.26 0.00 0.00 58.87 57.02 1bj1 n SER 213 Cb 1.00 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 65.00 1bj1 n SER 213 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bj1 n ASN 214 N 0.84 -3.14 -4.32 4.04 5.03 0.09 -4.91 115.26 112.89 1bj1 n ASN 214 Ca 0.09 -0.63 -0.35 0.00 0.87 0.00 0.00 54.58 54.57 1bj1 n ASN 214 Cb 0.38 -4.93 -0.14 0.00 -1.02 0.00 0.00 39.78 34.07 1bj1 n ASN 214 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1bj1 s THR 215 N -3.38 3.33 -0.05 3.41 2.01 -0.69 -5.01 115.64 115.25 1bj1 s THR 215 Ca 0.18 -0.51 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1bj1 s THR 215 Cb -0.08 -2.50 -0.00 0.00 0.01 0.00 0.00 72.50 69.93 1bj1 s THR 215 CO 0.74 0.44 -0.18 -0.54 -0.69 0.00 0.00 174.62 174.39 1bj1 s LYS 216 N 1.30 2.00 -0.03 4.92 1.02 -1.26 -0.42 119.74 127.27 1bj1 s LYS 216 Ca 0.04 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 1bj1 s LYS 216 Cb -0.14 -1.69 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1bj1 s LYS 216 CO -0.02 0.24 0.05 0.08 -0.92 0.00 0.00 175.35 174.78 1bj1 s VAL 217 N 0.10 -0.04 -0.30 3.17 1.01 -0.50 -5.01 120.40 118.83 1bj1 s VAL 217 Ca -0.06 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1bj1 s VAL 217 Cb -0.13 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.17 1bj1 s VAL 217 CO 0.03 0.06 0.04 -1.81 0.00 0.00 0.00 175.10 173.42 1bj1 s ASP 218 N 0.80 4.94 -0.17 3.32 1.01 -1.26 -1.10 116.67 124.20 1bj1 s ASP 218 Ca -0.06 -0.95 -0.01 0.00 0.71 0.00 0.00 52.55 52.23 1bj1 s ASP 218 Cb -0.09 -1.80 -0.01 0.00 1.01 0.00 0.00 42.92 42.03 1bj1 s ASP 218 CO -0.03 -0.22 -0.11 -0.75 0.21 0.00 0.00 175.17 174.27 1bj1 s LYS 219 N 1.39 3.34 -0.15 8.23 2.47 -0.35 -4.93 119.74 129.74 1bj1 s LYS 219 Ca -0.00 -0.68 -0.24 0.00 -1.56 0.00 0.00 55.97 53.49 1bj1 s LYS 219 Cb -0.18 -2.76 -0.02 0.00 -1.46 0.00 0.00 37.83 33.41 1bj1 s LYS 219 CO 0.00 0.02 0.75 0.21 0.16 0.00 0.00 175.35 176.50 1bj1 s LYS 220 N 0.84 4.31 -0.25 4.03 2.20 -1.26 -1.01 119.74 128.61 1bj1 s LYS 220 Ca -0.03 0.89 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 1bj1 s LYS 220 Cb -0.15 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1bj1 s LYS 220 CO 0.00 -0.21 0.07 0.08 -0.36 0.00 0.00 175.35 174.94 1bj1 s VAL 221 N 1.75 4.32 0.06 4.02 1.01 -0.44 -4.99 120.40 126.13 1bj1 s VAL 221 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1bj1 s VAL 221 Cb -0.17 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1bj1 s VAL 221 CO 0.13 0.34 -0.04 -1.83 0.00 0.00 0.00 175.10 173.70 1bj1 s GLU 222 N 1.60 0.61 0.20 2.72 -1.05 -1.26 -4.47 118.70 117.06 1bj1 s GLU 222 Ca 0.06 -1.11 -0.32 0.00 -0.15 0.00 0.00 54.97 53.46 1bj1 s GLU 222 Cb -0.15 0.04 -0.12 0.00 -0.44 0.00 0.00 34.13 33.46 1bj1 s GLU 222 CO 0.04 -0.06 1.70 -1.25 0.95 0.00 0.00 175.26 176.63 1bj1 s PRO 223 N -3.28 4.14 0.00 -4.83 0.04 -1.26 -4.54 135.00 125.26 1bj1 s PRO 223 Ca 0.03 2.57 0.23 0.00 0.04 0.00 0.00 61.00 63.87 1bj1 s PRO 223 Cb 0.03 -3.09 1.36 0.00 0.04 0.00 0.00 34.50 32.84 1bj1 s PRO 223 CO -0.06 -0.73 1.73 1.17 0.04 0.00 0.00 177.00 179.15