#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bb4 s VAL 17 N 0.00 4.90 -0.86 2.52 1.01 -0.06 -4.08 120.40 123.83 2bb4 s VAL 17 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2bb4 s VAL 17 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2bb4 s VAL 17 CO 0.00 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2bb4 n GLY 18 N 2.30 0.00 4.00 4.51 0.00 -1.25 -1.83 105.19 112.92 2bb4 n GLY 18 Ca -0.08 -0.47 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2bb4 n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bb4 s GLY 19 N -2.56 1.75 0.16 -0.02 0.00 -1.26 -4.82 107.32 100.58 2bb4 s GLY 19 Ca 0.00 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 42.99 2bb4 s GLY 19 CO 0.00 -1.20 -0.16 -0.51 0.00 0.00 0.00 173.10 171.23 2bb4 s THR 20 N -3.20 1.67 0.08 0.90 -4.23 0.08 -4.90 115.64 106.04 2bb4 s THR 20 Ca 0.68 -1.92 -0.31 0.00 -1.18 0.00 0.00 61.69 58.96 2bb4 s THR 20 Cb -0.04 -1.80 -0.08 0.00 1.34 0.00 0.00 72.50 71.92 2bb4 s THR 20 CO 0.45 -0.39 1.50 -0.70 -0.54 0.00 0.00 174.62 174.94 2bb4 s GLU 21 N -2.91 4.26 0.45 3.99 2.12 -1.26 -0.56 118.70 124.78 2bb4 s GLU 21 Ca 0.15 2.17 -0.23 0.00 0.36 0.00 0.00 54.97 57.42 2bb4 s GLU 21 Cb -0.05 -3.43 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 2bb4 s GLU 21 CO 0.06 -0.59 1.18 0.00 -0.54 0.00 0.00 175.26 175.37 2bb4 s ALA 22 N 1.92 3.00 0.52 6.30 0.00 -0.43 -4.85 121.76 128.22 2bb4 s ALA 22 Ca 0.68 0.97 -0.22 0.00 0.00 0.00 0.00 51.96 53.39 2bb4 s ALA 22 Cb -0.37 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 2bb4 s ALA 22 CO 0.30 -0.68 1.33 -1.14 0.00 0.00 0.00 175.76 175.56 2bb4 s GLN 23 N -2.64 3.28 0.57 0.00 2.00 -1.26 -4.88 119.66 116.74 2bb4 s GLN 23 Ca 0.63 2.16 0.28 0.00 -2.00 0.00 0.00 55.36 56.43 2bb4 s GLN 23 Cb -0.30 -2.31 1.48 0.00 0.80 0.00 0.00 33.01 32.69 2bb4 s GLN 23 CO 0.36 -1.05 1.94 -0.09 -0.50 0.00 0.00 175.29 175.95 2bb4 h ARG 24 N 1.62 0.00 -0.07 1.67 2.43 -1.98 -2.53 114.38 115.52 2bb4 h ARG 24 Ca -0.51 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2bb4 h ARG 24 Cb 1.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2bb4 h ARG 24 CO 0.58 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.31 2bb4 n ASN 25 N -3.93 2.40 -0.00 -3.80 0.23 -1.26 -4.69 115.26 104.20 2bb4 n ASN 25 Ca 0.09 -2.40 -0.15 0.00 -0.53 0.00 0.00 54.58 51.59 2bb4 n ASN 25 Cb 0.65 -0.20 -0.04 0.00 -2.08 0.00 0.00 39.78 38.11 2bb4 n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2bb4 h SER 26 N 0.44 0.80 -2.11 0.53 0.02 -1.78 -3.39 113.55 108.07 2bb4 h SER 26 Ca 0.00 -0.52 -0.55 0.00 -0.84 0.00 0.00 61.79 59.87 2bb4 h SER 26 Cb 0.76 -0.24 -0.41 0.00 0.14 0.00 0.00 62.40 62.66 2bb4 h SER 26 CO 0.02 1.30 -0.92 0.79 -1.14 0.00 0.00 176.83 176.89 2bb4 n TRP 27 N -3.91 1.66 0.41 3.45 7.02 -1.26 -4.95 117.44 119.85 2bb4 n TRP 27 Ca -0.06 -3.86 0.06 0.00 -1.02 0.00 0.00 57.50 52.62 2bb4 n TRP 27 Cb 0.73 -0.45 0.29 0.00 -2.42 0.00 0.00 31.31 29.46 2bb4 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2bb4 n PRO 28 N 0.61 0.02 0.00 -0.99 -0.04 -1.26 -1.80 135.00 131.54 2bb4 n PRO 28 Ca 0.26 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 2bb4 n PRO 28 Cb 0.51 -1.54 0.40 0.00 -0.04 0.00 0.00 33.50 32.83 2bb4 n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bb4 n SER 29 N -1.58 0.35 -4.73 3.54 3.41 -1.22 -2.01 113.62 111.38 2bb4 n SER 29 Ca 0.03 -0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 2bb4 n SER 29 Cb 0.15 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 2bb4 n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2bb4 s GLN 30 N -2.95 4.35 0.26 4.33 2.00 -0.74 -0.67 119.66 126.25 2bb4 s GLN 30 Ca 0.14 2.06 0.11 0.00 -2.00 0.00 0.00 55.36 55.67 2bb4 s GLN 30 Cb 0.18 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.72 2bb4 s GLN 30 CO 0.62 -0.34 -0.19 0.96 -0.50 0.00 0.00 175.29 175.85 2bb4 s ILE 31 N 0.57 2.27 -0.22 -2.34 -5.25 -0.44 -4.55 121.20 111.23 2bb4 s ILE 31 Ca 0.60 -2.34 -0.08 0.00 -0.99 0.00 0.00 60.65 57.85 2bb4 s ILE 31 Cb -0.37 -2.22 -0.04 0.00 2.95 0.00 0.00 42.46 42.79 2bb4 s ILE 31 CO 0.35 -0.44 0.09 -0.55 -1.79 0.00 0.00 174.94 172.59 2bb4 s SER 32 N -3.42 5.55 -0.26 4.36 0.15 -0.54 -2.65 113.70 116.89 2bb4 s SER 32 Ca 0.27 -0.02 -0.11 0.00 0.70 0.00 0.00 55.95 56.80 2bb4 s SER 32 Cb -0.04 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.24 2bb4 s SER 32 CO 0.13 0.07 0.18 -0.22 1.20 0.00 0.00 173.24 174.59 2bb4 s LEU 33 N 0.98 4.08 0.13 3.45 2.96 0.19 -0.69 118.68 129.79 2bb4 s LEU 33 Ca 0.05 0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.10 2bb4 s LEU 33 Cb -0.14 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2bb4 s LEU 33 CO 0.03 0.02 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.82 2bb4 s GLN 34 N 1.34 1.11 0.20 1.98 -0.21 -0.25 -0.78 119.66 123.06 2bb4 s GLN 34 Ca 0.07 -1.28 0.10 0.00 0.02 0.00 0.00 55.36 54.28 2bb4 s GLN 34 Cb -0.14 -1.09 -0.04 0.00 1.00 0.00 0.00 33.01 32.73 2bb4 s GLN 34 CO 0.07 0.22 -0.20 1.52 -2.12 0.00 0.00 175.29 174.78 2bb4 s TYR 35 N -1.99 2.06 0.03 0.91 -0.85 0.07 -1.06 117.35 116.53 2bb4 s TYR 35 Ca 0.11 -0.42 -0.30 0.00 -0.52 0.00 0.00 57.07 55.94 2bb4 s TYR 35 Cb -0.06 -0.99 -0.04 0.00 0.38 0.00 0.00 41.96 41.25 2bb4 s TYR 35 CO 0.04 0.46 1.11 0.50 -1.52 0.00 0.00 175.55 176.14 2bb4 s ARG 36 N -2.96 4.48 -0.22 -3.49 3.00 -0.51 -0.91 118.95 118.34 2bb4 s ARG 36 Ca 0.21 1.62 -0.03 0.00 -1.00 0.00 0.00 55.73 56.52 2bb4 s ARG 36 Cb -0.06 -3.40 0.07 0.00 0.00 0.00 0.00 34.95 31.56 2bb4 s ARG 36 CO 0.09 -0.17 0.07 0.45 0.00 0.00 0.00 175.30 175.74 2bb4 s SER 36 N 1.05 2.97 1.94 -2.12 0.15 0.37 -4.79 113.70 113.26 2bb4 s SER 36 Ca 0.56 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2bb4 s SER 36 Cb -0.26 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 2bb4 s SER 36 CO 0.28 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2bb4 n GLY 36 N 5.13 3.73 0.79 9.45 0.00 -1.26 -1.11 105.19 121.92 2bb4 n GLY 36 Ca -0.07 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.99 2bb4 n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bb4 n SER 36 N 5.63 2.33 -2.38 1.61 3.41 -1.26 -4.95 113.62 118.01 2bb4 n SER 36 Ca 0.00 -1.90 -0.08 0.00 -0.26 0.00 0.00 58.87 56.63 2bb4 n SER 36 Cb 0.00 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2bb4 n SER 36 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bb4 n SER 37 N 0.76 1.60 -4.21 4.04 3.41 -0.27 -5.16 113.62 113.79 2bb4 n SER 37 Ca 0.16 -1.60 -0.26 0.00 -0.26 0.00 0.00 58.87 56.92 2bb4 n SER 37 Cb 0.40 0.20 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 2bb4 n SER 37 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 2bb4 s TRP 38 N -1.76 1.72 -0.08 7.33 0.52 -1.26 -0.48 118.94 124.93 2bb4 s TRP 38 Ca 0.03 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.85 2bb4 s TRP 38 Cb 0.00 -1.08 0.00 0.00 -1.15 0.00 0.00 33.47 31.24 2bb4 s TRP 38 CO 0.02 0.01 -0.21 0.00 0.02 0.00 0.00 176.95 176.80 2bb4 s ALA 39 N -0.57 1.87 0.26 0.98 0.00 -0.09 -4.91 121.76 119.31 2bb4 s ALA 39 Ca 0.07 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 2bb4 s ALA 39 Cb -0.08 -0.70 -0.10 0.00 0.00 0.00 0.00 23.12 22.24 2bb4 s ALA 39 CO 0.00 0.26 1.48 -1.58 0.00 0.00 0.00 175.76 175.92 2bb4 s HIS 40 N 0.32 2.95 0.00 0.00 2.46 -1.26 -0.75 115.29 119.00 2bb4 s HIS 40 Ca -0.14 0.98 0.00 0.00 0.47 0.00 0.00 55.06 56.37 2bb4 s HIS 40 Cb -0.16 -3.88 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 2bb4 s HIS 40 CO 0.06 -2.88 0.00 -2.37 -2.47 0.00 0.00 174.74 167.08 2bb4 n THR 41 N 2.22 0.00 -3.92 0.89 5.66 0.04 -4.91 114.28 114.27 2bb4 n THR 41 Ca 0.07 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.97 2bb4 n THR 41 Cb 0.40 -0.60 -0.06 0.00 -1.55 0.00 0.00 70.33 68.51 2bb4 n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bb4 s GLY 43 N -2.96 1.75 0.12 0.00 0.00 0.74 -0.64 107.32 106.34 2bb4 s GLY 43 Ca 0.17 -1.86 -0.25 0.00 0.00 0.00 0.00 44.72 42.77 2bb4 s GLY 43 CO 0.02 -1.32 0.89 -0.32 0.00 0.00 0.00 173.10 172.37 2bb4 s GLY 44 N -4.72 -0.31 -0.14 0.20 0.00 -1.09 -3.32 107.32 97.94 2bb4 s GLY 44 Ca 0.65 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.74 2bb4 s GLY 44 CO 0.43 0.09 -0.21 -1.59 0.00 0.00 0.00 173.10 171.82 2bb4 s THR 45 N -3.33 2.13 -0.13 0.90 2.01 0.15 -1.33 115.64 116.03 2bb4 s THR 45 Ca 0.09 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 2bb4 s THR 45 Cb -0.02 -1.86 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 2bb4 s THR 45 CO -0.01 0.55 1.35 -0.22 -0.69 0.00 0.00 174.62 175.59 2bb4 s LEU 46 N 0.80 4.22 -0.01 4.42 2.96 0.16 -0.55 118.68 130.68 2bb4 s LEU 46 Ca -0.07 1.82 0.05 0.00 -0.22 0.00 0.00 54.13 55.71 2bb4 s LEU 46 Cb -0.16 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 2bb4 s LEU 46 CO -0.01 -0.79 0.11 2.30 -1.32 0.00 0.00 176.35 176.64 2bb4 n ILE 47 N 5.36 0.01 -4.23 6.68 -5.35 -0.22 0.01 119.36 121.62 2bb4 n ILE 47 Ca 0.14 -0.12 -0.13 0.00 -0.27 0.00 0.00 62.75 62.37 2bb4 n ILE 47 Cb 0.44 0.34 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 2bb4 n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2bb4 s ARG 48 N -2.36 1.14 0.61 6.28 1.81 -0.94 -4.69 118.95 120.79 2bb4 s ARG 48 Ca -0.02 -1.57 0.34 0.00 -1.72 0.00 0.00 55.73 52.76 2bb4 s ARG 48 Cb 0.03 -0.05 1.99 0.00 -0.45 0.00 0.00 34.95 36.48 2bb4 s ARG 48 CO 0.22 -0.24 2.28 1.96 -0.68 0.00 0.00 175.30 178.84 2bb4 h GLN 49 N 2.66 0.00 0.00 3.54 4.20 -1.95 -2.51 115.11 121.05 2bb4 h GLN 49 Ca -0.36 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 2bb4 h GLN 49 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2bb4 h GLN 49 CO 0.60 0.01 -0.19 0.27 -0.67 0.00 0.00 178.83 178.85 2bb4 n ASN 50 N -3.59 1.92 -3.89 1.46 6.94 -1.26 -1.31 115.26 115.52 2bb4 n ASN 50 Ca -0.03 -3.09 -0.17 0.00 -0.02 0.00 0.00 54.58 51.28 2bb4 n ASN 50 Cb 0.09 -0.42 -0.15 0.00 -2.36 0.00 0.00 39.78 36.94 2bb4 n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2bb4 s TRP 51 N -2.53 0.43 -0.05 -2.53 0.52 -0.95 -0.54 118.94 113.29 2bb4 s TRP 51 Ca 0.30 -0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.40 2bb4 s TRP 51 Cb 0.27 -0.39 -0.02 0.00 -1.15 0.00 0.00 33.47 32.19 2bb4 s TRP 51 CO 0.00 -0.09 -0.22 0.08 0.02 0.00 0.00 176.95 176.74 2bb4 s VAL 52 N 0.50 2.32 -0.20 4.03 1.01 -0.17 -1.05 120.40 126.84 2bb4 s VAL 52 Ca -0.05 -0.98 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 2bb4 s VAL 52 Cb -0.09 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2bb4 s VAL 52 CO -0.01 0.57 0.19 -0.32 0.00 0.00 0.00 175.10 175.54 2bb4 s MET 53 N -0.33 4.18 0.07 2.72 1.75 0.29 -0.19 119.30 127.79 2bb4 s MET 53 Ca 0.02 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 54.33 2bb4 s MET 53 Cb -0.13 -3.46 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 2bb4 s MET 53 CO 0.02 0.21 0.08 -2.37 -0.65 0.00 0.00 175.02 172.31 2bb4 n THR 54 N 3.75 0.00 -3.30 10.11 5.66 -0.19 -0.67 114.28 129.64 2bb4 n THR 54 Ca -0.14 -0.39 -0.39 0.00 -3.05 0.00 0.00 64.05 60.08 2bb4 n THR 54 Cb 0.52 0.22 -0.06 0.00 -1.55 0.00 0.00 70.33 69.46 2bb4 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bb4 s ALA 55 N -1.97 3.59 0.26 1.79 0.00 -1.26 -1.12 121.76 123.05 2bb4 s ALA 55 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2bb4 s ALA 55 Cb 0.00 -2.61 0.50 0.00 0.00 0.00 0.00 23.12 21.01 2bb4 s ALA 55 CO 0.05 0.38 1.77 0.00 0.00 0.00 0.00 175.76 177.96 2bb4 h ALA 56 N 4.70 1.25 0.00 0.00 0.00 -1.68 -1.97 119.26 121.55 2bb4 h ALA 56 Ca -0.49 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2bb4 h ALA 56 Cb 1.21 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2bb4 h ALA 56 CO 0.64 -0.07 -0.01 1.12 0.00 0.00 0.00 179.25 180.93 2bb4 h HIS 57 N 0.64 0.00 0.00 0.00 2.07 -1.92 -1.76 115.15 114.18 2bb4 h HIS 57 Ca 0.45 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.93 2bb4 h HIS 57 Cb 0.60 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.58 2bb4 h HIS 57 CO -0.09 0.01 -0.16 0.00 -3.07 0.00 0.00 177.93 174.62 2bb4 n VAL 59 N -3.50 2.14 -0.17 0.00 0.24 -0.67 -4.55 118.33 111.83 2bb4 n VAL 59 Ca -0.01 -2.29 -0.10 0.00 -2.04 0.00 0.00 64.34 59.90 2bb4 n VAL 59 Cb 0.32 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 2bb4 n VAL 59 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2bb4 h ASP 60 N 0.84 0.85 -3.96 -1.34 3.32 -1.45 -3.44 116.42 111.23 2bb4 h ASP 60 Ca 0.03 -0.32 -0.51 0.00 0.02 0.00 0.00 57.03 56.25 2bb4 h ASP 60 Cb 1.23 -0.23 0.06 0.00 0.22 0.00 0.00 39.33 40.61 2bb4 h ASP 60 CO 0.12 0.96 0.51 -0.13 -1.72 0.00 0.00 179.24 178.99 2bb4 s ARG 61 N -4.97 3.95 -0.54 3.56 3.00 -1.26 -4.88 118.95 117.81 2bb4 s ARG 61 Ca -0.12 1.87 -0.07 0.00 0.00 0.00 0.00 55.73 57.40 2bb4 s ARG 61 Cb 0.11 -2.60 -0.21 0.00 0.00 0.00 0.00 34.95 32.25 2bb4 s ARG 61 CO 0.82 -0.42 3.36 -1.91 0.00 0.00 0.00 175.30 177.16 2bb4 n GLU 62 N -0.09 2.53 -3.11 3.54 4.07 -1.26 -4.92 120.64 121.40 2bb4 n GLU 62 Ca 0.05 -1.38 -0.21 0.00 -0.06 0.00 0.00 57.16 55.56 2bb4 n GLU 62 Cb 0.46 -2.26 0.01 0.00 -0.06 0.00 0.00 31.44 29.60 2bb4 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2bb4 s LEU 63 N 0.06 3.71 -0.18 4.31 1.43 -1.26 -5.08 118.68 121.67 2bb4 s LEU 63 Ca 0.67 0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 53.55 2bb4 s LEU 63 Cb 0.27 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2bb4 s LEU 63 CO -0.02 -0.68 0.68 -0.89 0.23 0.00 0.00 176.35 175.67 2bb4 s THR 64 N -2.43 4.99 0.09 5.49 2.01 -1.26 -5.01 115.64 119.53 2bb4 s THR 64 Ca 0.49 1.31 0.07 0.00 0.31 0.00 0.00 61.69 63.87 2bb4 s THR 64 Cb -0.10 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 2bb4 s THR 64 CO 0.35 0.11 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.92 2bb4 s PHE 65 N 1.84 2.72 0.13 4.92 0.40 -1.26 -1.42 117.98 125.31 2bb4 s PHE 65 Ca 0.32 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.52 2bb4 s PHE 65 Cb -0.16 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 2bb4 s PHE 65 CO 0.11 0.41 -0.10 -0.98 0.70 0.00 0.00 175.22 175.36 2bb4 s ARG 65 N -2.09 0.98 -0.09 0.44 1.70 -0.22 -3.03 118.95 116.64 2bb4 s ARG 65 Ca 0.20 -1.36 0.00 0.00 -0.47 0.00 0.00 55.73 54.10 2bb4 s ARG 65 Cb -0.11 -0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 33.69 2bb4 s ARG 65 CO 0.12 0.07 -0.08 0.08 -1.08 0.00 0.00 175.30 174.41 2bb4 s VAL 66 N -3.14 3.57 -0.19 4.99 1.01 0.15 -1.09 120.40 125.69 2bb4 s VAL 66 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2bb4 s VAL 66 Cb 0.02 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 2bb4 s VAL 66 CO -0.00 0.57 -0.10 -0.69 0.00 0.00 0.00 175.10 174.88 2bb4 s VAL 67 N -0.50 2.94 0.21 2.92 1.01 0.14 -1.29 120.40 125.84 2bb4 s VAL 67 Ca 0.07 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2bb4 s VAL 67 Cb -0.12 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2bb4 s VAL 67 CO 0.02 0.47 0.22 0.68 0.00 0.00 0.00 175.10 176.49 2bb4 s VAL 68 N 1.22 4.68 -1.20 2.92 -7.23 -0.63 -1.47 120.40 118.69 2bb4 s VAL 68 Ca 0.02 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 2bb4 s VAL 68 Cb -0.14 -3.48 0.00 0.00 0.56 0.00 0.00 36.38 33.32 2bb4 s VAL 68 CO -0.04 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 2bb4 n GLY 69 N -0.92 0.34 3.85 2.32 0.00 -1.24 -1.19 105.19 108.35 2bb4 n GLY 69 Ca -0.08 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 2bb4 n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bb4 s GLU 70 N -4.14 3.81 0.02 1.61 2.56 -1.26 -3.10 118.70 118.20 2bb4 s GLU 70 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.97 55.24 2bb4 s GLU 70 Cb 0.00 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.99 2bb4 s GLU 70 CO 0.00 0.66 0.00 1.58 -0.56 0.00 0.00 175.26 176.94 2bb4 n HIS 71 N 1.52 -0.11 -3.99 5.30 -0.00 -1.26 -4.93 115.22 111.75 2bb4 n HIS 71 Ca -0.13 0.02 -0.34 0.00 -0.00 0.00 0.00 57.72 57.27 2bb4 n HIS 71 Cb 0.53 0.19 -0.15 0.00 -0.00 0.00 0.00 29.99 30.56 2bb4 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2bb4 s ASN 72 N -5.06 3.95 0.34 0.26 3.84 -1.26 -1.13 114.94 115.87 2bb4 s ASN 72 Ca 0.00 -0.65 0.26 0.00 0.21 0.00 0.00 52.86 52.68 2bb4 s ASN 72 Cb 0.00 -1.63 1.13 0.00 -0.55 0.00 0.00 41.25 40.20 2bb4 s ASN 72 CO 0.00 -0.05 1.78 -0.07 -2.79 0.00 0.00 177.10 175.97 2bb4 h LEU 73 N 8.02 0.00 -2.59 3.21 3.38 -1.18 -3.09 115.31 123.06 2bb4 h LEU 73 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2bb4 h LEU 73 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bb4 h LEU 73 CO 0.60 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.72 2bb4 n ASN 74 N -2.43 2.68 -3.78 -0.43 3.02 -1.26 -5.00 115.26 108.07 2bb4 n ASN 74 Ca 0.01 -1.89 -0.10 0.00 -0.03 0.00 0.00 54.58 52.57 2bb4 n ASN 74 Cb 0.21 -0.18 -0.07 0.00 -0.61 0.00 0.00 39.78 39.14 2bb4 n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bb4 s GLN 75 N -0.98 0.87 -0.16 3.52 -2.07 -1.17 -5.12 119.66 114.55 2bb4 s GLN 75 Ca 0.20 -0.74 -0.29 0.00 -1.82 0.00 0.00 55.36 52.71 2bb4 s GLN 75 Cb 0.11 0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 32.37 2bb4 s GLN 75 CO 0.15 -0.29 1.37 1.21 -1.32 0.00 0.00 175.29 176.41 2bb4 s ASN 76 N -2.55 6.81 0.18 12.60 2.47 -1.26 -4.63 114.94 128.57 2bb4 s ASN 76 Ca 0.01 1.75 0.23 0.00 0.42 0.00 0.00 52.86 55.26 2bb4 s ASN 76 Cb 0.02 -2.54 0.11 0.00 -1.45 0.00 0.00 41.25 37.40 2bb4 s ASN 76 CO -0.08 -0.87 1.15 0.78 -3.72 0.00 0.00 177.10 174.35 2bb4 h ASN 77 N 8.79 0.00 -0.07 -4.21 2.35 -1.93 -3.48 115.58 117.03 2bb4 h ASN 77 Ca -0.30 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.34 2bb4 h ASN 77 Cb 1.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 2bb4 h ASN 77 CO 0.98 0.04 -0.03 0.61 -1.65 0.00 0.00 177.43 177.38 2bb4 n GLY 78 N 1.23 0.52 0.00 2.83 0.00 -1.26 -4.86 105.19 103.65 2bb4 n GLY 78 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2bb4 n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bb4 n THR 79 N -2.92 0.00 -2.41 2.61 -2.24 -1.26 -5.10 114.28 102.96 2bb4 n THR 79 Ca -0.01 -0.20 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 2bb4 n THR 79 Cb 0.07 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 2bb4 n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bb4 s GLU 80 N -0.32 4.06 -0.07 -0.78 8.01 -1.18 -4.46 118.70 123.95 2bb4 s GLU 80 Ca 0.00 1.67 0.04 0.00 0.01 0.00 0.00 54.97 56.69 2bb4 s GLU 80 Cb 0.00 -2.57 -0.00 0.00 -4.31 0.00 0.00 34.13 27.25 2bb4 s GLU 80 CO 0.00 -0.27 -0.21 -0.65 0.01 0.00 0.00 175.26 174.14 2bb4 s GLN 81 N -2.46 2.44 -0.15 1.61 -0.21 -0.33 -4.99 119.66 115.57 2bb4 s GLN 81 Ca 0.58 -0.76 -0.03 0.00 0.02 0.00 0.00 55.36 55.17 2bb4 s GLN 81 Cb -0.26 -1.97 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 2bb4 s GLN 81 CO 0.32 0.22 -0.04 0.71 -2.12 0.00 0.00 175.29 174.38 2bb4 s TYR 82 N 0.19 3.01 -0.01 0.91 1.51 -1.26 -1.60 117.35 120.09 2bb4 s TYR 82 Ca -0.11 -0.33 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 2bb4 s TYR 82 Cb -0.15 -1.95 0.01 0.00 -0.11 0.00 0.00 41.96 39.76 2bb4 s TYR 82 CO 0.05 -0.05 0.03 0.54 -1.11 0.00 0.00 175.55 175.01 2bb4 s VAL 83 N 0.38 -0.02 0.70 0.71 0.11 -0.41 -5.01 120.40 116.85 2bb4 s VAL 83 Ca -0.05 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 58.95 2bb4 s VAL 83 Cb -0.14 -0.05 0.01 0.00 -1.53 0.00 0.00 36.38 34.67 2bb4 s VAL 83 CO 0.03 0.02 1.07 -0.83 -3.33 0.00 0.00 175.10 172.06 2bb4 s GLY 84 N 0.32 1.72 -0.27 6.54 0.00 -1.26 -0.68 107.32 113.69 2bb4 s GLY 84 Ca -0.03 0.16 -0.18 0.00 0.00 0.00 0.00 44.72 44.67 2bb4 s GLY 84 CO -0.01 0.48 0.54 0.14 0.00 0.00 0.00 173.10 174.25 2bb4 s VAL 85 N -2.94 5.05 -0.11 1.40 1.01 -1.17 -0.72 120.40 122.91 2bb4 s VAL 85 Ca 0.59 0.87 0.07 0.00 0.00 0.00 0.00 61.98 63.52 2bb4 s VAL 85 Cb -0.15 -3.86 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 2bb4 s VAL 85 CO 0.53 0.04 0.41 1.67 0.00 0.00 0.00 175.10 177.76 2bb4 n GLN 86 N 5.60 0.68 -3.74 2.72 7.27 0.42 -4.86 117.38 125.48 2bb4 n GLN 86 Ca -0.03 0.23 -0.13 0.00 0.07 0.00 0.00 57.00 57.13 2bb4 n GLN 86 Cb 0.50 -1.71 -0.10 0.00 2.41 0.00 0.00 30.24 31.34 2bb4 n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2bb4 s LYS 87 N -2.56 0.50 -0.14 3.69 2.20 -1.01 -4.98 119.74 117.43 2bb4 s LYS 87 Ca -0.13 0.45 0.02 0.00 -0.36 0.00 0.00 55.97 55.94 2bb4 s LYS 87 Cb 0.07 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.65 2bb4 s LYS 87 CO 0.79 -0.08 -0.20 0.42 -0.36 0.00 0.00 175.35 175.93 2bb4 s ILE 88 N -0.02 1.90 -0.30 5.43 1.01 -1.26 -0.58 121.20 127.38 2bb4 s ILE 88 Ca -0.02 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.78 2bb4 s ILE 88 Cb -0.03 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.82 2bb4 s ILE 88 CO 0.01 0.52 -0.02 -0.69 0.00 0.00 0.00 174.94 174.76 2bb4 s VAL 89 N 0.96 2.39 0.16 2.92 1.01 0.13 -5.00 120.40 122.98 2bb4 s VAL 89 Ca -0.04 -1.89 -0.14 0.00 0.00 0.00 0.00 61.98 59.91 2bb4 s VAL 89 Cb -0.15 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.61 2bb4 s VAL 89 CO -0.04 -0.29 0.56 -0.69 0.00 0.00 0.00 175.10 174.65 2bb4 s VAL 90 N 1.05 4.84 0.18 2.92 1.01 -1.26 -0.47 120.40 128.67 2bb4 s VAL 90 Ca -0.00 0.82 -0.33 0.00 0.00 0.00 0.00 61.98 62.47 2bb4 s VAL 90 Cb -0.20 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.32 2bb4 s VAL 90 CO -0.05 0.20 1.59 1.57 0.00 0.00 0.00 175.10 178.41 2bb4 n HIS 91 N 0.68 2.37 0.24 5.22 -0.00 -0.76 -4.84 115.22 118.14 2bb4 n HIS 91 Ca -0.04 0.24 0.14 0.00 0.46 0.00 0.00 57.72 58.51 2bb4 n HIS 91 Cb 0.52 -2.56 0.68 0.00 -0.12 0.00 0.00 29.99 28.51 2bb4 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2bb4 h PRO 92 N 5.95 0.00 -0.01 1.57 0.13 -1.93 -1.92 132.00 135.79 2bb4 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2bb4 h PRO 92 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bb4 h PRO 92 CO 0.89 0.00 -0.31 0.66 -0.23 0.00 0.00 178.00 179.01 2bb4 n TYR 93 N -2.44 0.00 -1.74 1.56 0.53 -1.26 -4.95 117.16 108.86 2bb4 n TYR 93 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.45 2bb4 n TYR 93 Cb 0.09 -0.10 -0.01 0.00 -1.03 0.00 0.00 39.34 38.29 2bb4 n TYR 93 CO 0.00 0.00 0.00 1.87 -1.02 0.00 0.00 176.86 177.71 2bb4 n TRP 94 N -0.57 2.74 -3.76 -0.72 -0.00 -0.73 -4.92 117.44 109.48 2bb4 n TRP 94 Ca 0.11 0.37 -0.26 0.00 -0.00 0.00 0.00 57.50 57.73 2bb4 n TRP 94 Cb 0.37 -2.54 -0.17 0.00 -0.00 0.00 0.00 31.31 28.97 2bb4 n TRP 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 2bb4 s ASN 95 N 0.17 2.45 0.56 5.87 3.84 -1.26 -5.02 114.94 121.55 2bb4 s ASN 95 Ca 0.60 -0.55 0.25 0.00 0.21 0.00 0.00 52.86 53.37 2bb4 s ASN 95 Cb -0.52 -0.58 1.58 0.00 -0.55 0.00 0.00 41.25 41.19 2bb4 s ASN 95 CO 0.55 -0.25 2.16 0.74 -2.79 0.00 0.00 177.10 177.51 2bb4 h THR 96 N 6.43 0.67 0.00 -5.21 2.02 -1.98 -0.68 112.91 114.16 2bb4 h THR 96 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2bb4 h THR 96 Cb 1.12 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2bb4 h THR 96 CO 0.32 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.68 2bb4 n ASP 97 N -4.09 0.00 -2.96 4.18 8.00 -1.26 -4.35 116.55 116.07 2bb4 n ASP 97 Ca -0.01 0.31 -0.15 0.00 0.71 0.00 0.00 54.79 55.66 2bb4 n ASP 97 Cb 0.19 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 2bb4 n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2bb4 n ASP 98 N -1.41 -1.21 -2.04 -2.24 -0.08 -0.26 -5.08 116.55 104.22 2bb4 n ASP 98 Ca 0.06 -3.14 -0.00 0.00 -1.51 0.00 0.00 54.79 50.19 2bb4 n ASP 98 Cb 0.17 0.67 -0.00 0.00 2.34 0.00 0.00 41.12 44.30 2bb4 n ASP 98 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2bb4 n VAL 99 N 1.10 0.18 0.00 5.18 0.31 -1.25 -4.07 118.33 119.77 2bb4 n VAL 99 Ca 0.15 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2bb4 n VAL 99 Cb 0.62 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2bb4 n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bb4 n ALA 99 N 2.13 0.00 0.00 3.52 0.00 -1.26 -4.80 120.51 120.10 2bb4 n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2bb4 n ALA 99 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 2bb4 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bb4 n GLY 100 N 0.00 -1.45 2.36 0.00 0.00 -1.26 -5.00 105.19 99.85 2bb4 n GLY 100 Ca 0.00 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 2bb4 n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bb4 n TYR 101 N 0.00 -0.11 -2.22 1.61 4.02 -1.26 -4.65 117.16 114.55 2bb4 n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 2bb4 n TYR 101 Cb 0.00 -2.49 0.00 0.00 -0.02 0.00 0.00 39.34 36.83 2bb4 n TYR 101 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2bb4 n ASP 102 N -0.22 4.50 -3.65 7.72 2.03 -1.26 -4.34 116.55 121.32 2bb4 n ASP 102 Ca -0.14 -2.90 -0.15 0.00 0.52 0.00 0.00 54.79 52.13 2bb4 n ASP 102 Cb 0.47 -1.68 -0.08 0.00 -0.72 0.00 0.00 41.12 39.11 2bb4 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bb4 s ILE 103 N 3.40 0.01 -0.00 5.18 2.07 -1.26 -3.90 121.20 126.70 2bb4 s ILE 103 Ca 0.49 -0.09 -0.16 0.00 -1.41 0.00 0.00 60.65 59.48 2bb4 s ILE 103 Cb 0.08 -0.81 0.03 0.00 0.13 0.00 0.00 42.46 41.89 2bb4 s ILE 103 CO -0.00 -0.05 0.35 0.00 -1.91 0.00 0.00 174.94 173.33 2bb4 s ALA 104 N -0.39 -0.88 -0.06 1.50 0.00 -0.28 -1.82 121.76 119.84 2bb4 s ALA 104 Ca -0.05 0.36 0.04 0.00 0.00 0.00 0.00 51.96 52.30 2bb4 s ALA 104 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2bb4 s ALA 104 CO 0.04 -0.31 -0.16 -0.51 0.00 0.00 0.00 175.76 174.81 2bb4 s LEU 105 N -1.49 2.59 -0.19 0.00 1.43 0.37 -1.02 118.68 120.37 2bb4 s LEU 105 Ca -0.11 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2bb4 s LEU 105 Cb -0.04 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 2bb4 s LEU 105 CO 0.03 0.30 -0.09 -0.76 0.23 0.00 0.00 176.35 176.06 2bb4 s LEU 106 N -0.44 2.77 -0.14 1.79 1.43 0.74 -0.69 118.68 124.14 2bb4 s LEU 106 Ca 0.05 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.53 2bb4 s LEU 106 Cb -0.12 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2bb4 s LEU 106 CO 0.02 0.05 0.72 -0.60 0.23 0.00 0.00 176.35 176.76 2bb4 s ARG 107 N 1.06 4.32 0.42 1.70 3.52 0.25 -1.00 118.95 129.22 2bb4 s ARG 107 Ca 0.00 0.83 -0.17 0.00 -0.13 0.00 0.00 55.73 56.26 2bb4 s ARG 107 Cb -0.15 -3.53 -0.09 0.00 -1.56 0.00 0.00 34.95 29.62 2bb4 s ARG 107 CO -0.01 -0.16 0.88 -0.51 -0.81 0.00 0.00 175.30 174.68 2bb4 s LEU 108 N 1.60 3.88 0.40 -0.88 1.43 0.30 -0.44 118.68 124.98 2bb4 s LEU 108 Ca 0.35 1.48 0.18 0.00 -1.03 0.00 0.00 54.13 55.11 2bb4 s LEU 108 Cb -0.17 -4.35 0.86 0.00 0.03 0.00 0.00 46.19 42.56 2bb4 s LEU 108 CO 0.14 -0.38 1.84 0.00 0.23 0.00 0.00 176.35 178.18 2bb4 h ALA 109 N 1.68 1.20 -2.64 4.21 0.00 -1.26 -3.43 119.26 119.03 2bb4 h ALA 109 Ca -0.48 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 53.83 2bb4 h ALA 109 Cb 1.18 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.75 2bb4 h ALA 109 CO 0.63 0.40 -0.73 -0.65 0.00 0.00 0.00 179.25 178.90 2bb4 s GLN 110 N -3.95 0.86 -0.05 0.00 1.11 -1.26 -5.04 119.66 111.34 2bb4 s GLN 110 Ca -0.02 -1.20 -0.25 0.00 0.01 0.00 0.00 55.36 53.90 2bb4 s GLN 110 Cb 0.13 -0.51 -0.03 0.00 -1.01 0.00 0.00 33.01 31.58 2bb4 s GLN 110 CO 0.68 0.07 0.77 -1.12 0.01 0.00 0.00 175.29 175.70 2bb4 s SER 111 N -2.57 7.09 0.61 5.90 0.01 -1.26 -4.66 113.70 118.82 2bb4 s SER 111 Ca 0.07 1.31 -0.11 0.00 1.31 0.00 0.00 55.95 58.53 2bb4 s SER 111 Cb -0.02 -2.45 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2bb4 s SER 111 CO -0.00 -0.15 1.02 0.68 0.41 0.00 0.00 173.24 175.19 2bb4 s VAL 112 N 0.85 4.71 -0.13 3.43 -7.23 -0.43 -4.98 120.40 116.62 2bb4 s VAL 112 Ca 0.41 0.87 -0.13 0.00 -1.81 0.00 0.00 61.98 61.32 2bb4 s VAL 112 Cb -0.19 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 32.84 2bb4 s VAL 112 CO 0.21 -1.12 0.29 -0.89 -0.31 0.00 0.00 175.10 173.28 2bb4 s THR 113 N -3.15 5.29 0.18 5.32 2.01 -1.26 -4.87 115.64 119.16 2bb4 s THR 113 Ca 0.55 0.56 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 2bb4 s THR 113 Cb -0.11 -3.62 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 2bb4 s THR 113 CO 0.53 0.44 0.63 -0.76 -0.69 0.00 0.00 174.62 174.77 2bb4 s LEU 114 N 0.08 4.35 0.00 4.42 1.43 -1.26 -4.80 118.68 122.90 2bb4 s LEU 114 Ca 0.17 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2bb4 s LEU 114 Cb -0.13 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2bb4 s LEU 114 CO 0.05 0.08 0.00 -0.46 0.23 0.00 0.00 176.35 176.25 2bb4 n ASN 115 N 0.80 0.00 0.30 2.29 0.23 -0.19 -4.96 115.26 113.73 2bb4 n ASN 115 Ca -0.04 -0.51 0.15 0.00 -0.53 0.00 0.00 54.58 53.65 2bb4 n ASN 115 Cb 0.51 0.00 0.92 0.00 -2.08 0.00 0.00 39.78 39.13 2bb4 n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2bb4 h SER 116 N 0.00 0.00 -0.01 0.53 0.02 -1.98 -2.17 113.55 109.94 2bb4 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bb4 h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2bb4 h SER 116 CO 0.00 0.00 -0.77 -1.22 -1.14 0.00 0.00 176.83 173.70 2bb4 n TYR 117 N -3.85 0.00 -3.58 3.45 4.02 -1.26 -4.71 117.16 111.23 2bb4 n TYR 117 Ca -0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.60 2bb4 n TYR 117 Cb 0.08 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.24 2bb4 n TYR 117 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2bb4 s VAL 118 N -2.69 -0.10 0.05 -0.72 1.01 -0.82 -3.69 120.40 113.44 2bb4 s VAL 118 Ca 0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 2bb4 s VAL 118 Cb 0.16 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2bb4 s VAL 118 CO 0.72 -0.42 0.04 -1.10 0.00 0.00 0.00 175.10 174.34 2bb4 s GLN 119 N 2.14 0.61 0.40 2.72 -1.52 -0.85 -1.02 119.66 122.13 2bb4 s GLN 119 Ca 0.05 -0.99 -0.24 0.00 -1.95 0.00 0.00 55.36 52.22 2bb4 s GLN 119 Cb -0.16 0.23 -0.09 0.00 -0.22 0.00 0.00 33.01 32.77 2bb4 s GLN 119 CO -0.18 -0.14 1.06 -0.51 -0.25 0.00 0.00 175.29 175.27 2bb4 s LEU 120 N -2.56 4.16 0.17 2.90 1.43 -1.26 -3.38 118.68 120.14 2bb4 s LEU 120 Ca 0.01 2.08 -0.29 0.00 -1.03 0.00 0.00 54.13 54.91 2bb4 s LEU 120 Cb 0.03 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.03 2bb4 s LEU 120 CO -0.08 -0.51 0.90 -0.83 0.23 0.00 0.00 176.35 176.06 2bb4 s GLY 121 N -1.50 3.02 -0.03 -3.19 0.00 0.10 -4.81 107.32 100.92 2bb4 s GLY 121 Ca 0.57 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.52 2bb4 s GLY 121 CO 0.29 1.19 1.07 0.14 0.00 0.00 0.00 173.10 175.79 2bb4 s VAL 122 N -0.77 4.57 0.09 1.40 1.01 -1.26 -4.81 120.40 120.63 2bb4 s VAL 122 Ca 0.41 1.85 0.03 0.00 0.00 0.00 0.00 61.98 64.27 2bb4 s VAL 122 Cb -0.24 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2bb4 s VAL 122 CO 0.29 0.08 0.10 -0.76 0.00 0.00 0.00 175.10 174.82 2bb4 s LEU 123 N 1.50 3.88 0.75 3.92 1.43 -1.26 -0.21 118.68 128.69 2bb4 s LEU 123 Ca 0.53 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 2bb4 s LEU 123 Cb -0.23 -2.54 0.04 0.00 0.03 0.00 0.00 46.19 43.49 2bb4 s LEU 123 CO 0.25 0.16 1.08 -2.16 0.23 0.00 0.00 176.35 175.91 2bb4 s PRO 124 N -2.48 2.46 0.54 1.29 0.04 -1.26 -4.90 135.00 130.68 2bb4 s PRO 124 Ca 0.30 1.06 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 2bb4 s PRO 124 Cb -0.12 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2bb4 s PRO 124 CO 0.23 -1.47 1.22 -0.98 0.04 0.00 0.00 177.00 176.04 2bb4 s ARG 125 N -4.97 3.29 0.13 4.56 3.03 -1.26 -4.81 118.95 118.92 2bb4 s ARG 125 Ca 0.60 1.87 -0.35 0.00 2.03 0.00 0.00 55.73 59.88 2bb4 s ARG 125 Cb -0.16 -2.15 -0.16 0.00 -1.03 0.00 0.00 34.95 31.46 2bb4 s ARG 125 CO 0.56 -0.96 1.33 0.00 -1.13 0.00 0.00 175.30 175.09 2bb4 n ALA 126 N -1.11 -0.44 -0.21 7.88 0.00 -1.26 -2.18 120.51 123.18 2bb4 n ALA 126 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2bb4 n ALA 126 Cb 0.48 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2bb4 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bb4 n GLY 127 N 2.48 1.35 3.71 0.00 0.00 -0.29 -5.01 105.19 107.44 2bb4 n GLY 127 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2bb4 n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bb4 s THR 128 N -2.77 2.68 -0.04 2.61 2.01 -0.93 -5.00 115.64 114.20 2bb4 s THR 128 Ca 0.00 0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.50 2bb4 s THR 128 Cb 0.00 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 2bb4 s THR 128 CO 0.00 0.03 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.08 2bb4 s ILE 129 N 1.45 1.97 0.19 1.82 -1.09 -1.26 -4.77 121.20 119.51 2bb4 s ILE 129 Ca 0.71 -1.04 -0.26 0.00 -2.23 0.00 0.00 60.65 57.83 2bb4 s ILE 129 Cb -0.43 -1.65 -0.08 0.00 -1.58 0.00 0.00 42.46 38.71 2bb4 s ILE 129 CO 0.31 0.55 0.81 -0.76 -1.23 0.00 0.00 174.94 174.63 2bb4 s LEU 130 N -0.34 4.59 0.63 2.97 1.43 -1.26 -5.04 118.68 121.65 2bb4 s LEU 130 Ca 0.02 1.70 -0.18 0.00 -1.03 0.00 0.00 54.13 54.65 2bb4 s LEU 130 Cb -0.12 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 2bb4 s LEU 130 CO 0.01 0.19 1.16 0.00 0.23 0.00 0.00 176.35 177.94 2bb4 n ALA 131 N 1.51 0.76 -1.61 4.21 0.00 -1.26 -4.87 120.51 119.24 2bb4 n ALA 131 Ca -0.05 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.00 2bb4 n ALA 131 Cb 0.48 -2.24 0.02 0.00 0.00 0.00 0.00 19.45 17.72 2bb4 n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2bb4 n ASN 132 N -1.39 1.19 -1.31 0.00 5.15 -1.26 -2.45 115.26 115.19 2bb4 n ASN 132 Ca 0.15 0.99 -0.14 0.00 -0.60 0.00 0.00 54.58 54.97 2bb4 n ASN 132 Cb 0.48 -1.36 -0.04 0.00 -0.53 0.00 0.00 39.78 38.32 2bb4 n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2bb4 n ASN 133 N 0.26 -4.55 -4.77 1.20 5.15 0.30 -4.94 115.26 107.91 2bb4 n ASN 133 Ca 0.10 0.20 -0.39 0.00 -0.60 0.00 0.00 54.58 53.89 2bb4 n ASN 133 Cb 0.41 -3.47 -0.02 0.00 -0.53 0.00 0.00 39.78 36.17 2bb4 n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2bb4 s SER 134 N -2.65 6.54 -0.06 1.20 0.01 -1.03 -4.59 113.70 113.13 2bb4 s SER 134 Ca 0.00 2.44 -0.30 0.00 1.31 0.00 0.00 55.95 59.40 2bb4 s SER 134 Cb 0.00 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 2bb4 s SER 134 CO 0.00 -0.67 1.23 -2.16 0.41 0.00 0.00 173.24 172.05 2bb4 s PRO 135 N -2.19 4.33 0.05 12.44 0.04 -1.26 -1.13 135.00 147.28 2bb4 s PRO 135 Ca 0.56 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 63.25 2bb4 s PRO 135 Cb -0.33 -3.58 -0.02 0.00 0.04 0.00 0.00 34.50 30.61 2bb4 s PRO 135 CO 0.42 -0.49 0.08 0.00 0.04 0.00 0.00 177.00 177.05 2bb4 s TYR 137 N -3.18 2.35 0.18 0.00 1.51 0.60 -0.68 117.35 118.12 2bb4 s TYR 137 Ca -0.00 -0.74 -0.16 0.00 -1.01 0.00 0.00 57.07 55.16 2bb4 s TYR 137 Cb 0.02 -1.55 -0.07 0.00 -0.11 0.00 0.00 41.96 40.25 2bb4 s TYR 137 CO -0.07 -0.24 0.61 -1.50 -1.11 0.00 0.00 175.55 173.23 2bb4 s ILE 138 N -0.05 4.76 0.08 2.71 2.07 -0.21 -0.85 121.20 129.71 2bb4 s ILE 138 Ca -0.06 0.97 0.05 0.00 -1.41 0.00 0.00 60.65 60.20 2bb4 s ILE 138 Cb -0.14 -3.77 -0.03 0.00 0.13 0.00 0.00 42.46 38.65 2bb4 s ILE 138 CO 0.04 0.22 -0.14 0.42 -1.91 0.00 0.00 174.94 173.57 2bb4 s THR 139 N -1.50 1.15 0.00 4.00 -4.23 -1.21 -1.22 115.64 112.63 2bb4 s THR 139 Ca 0.40 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2bb4 s THR 139 Cb -0.15 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.55 2bb4 s THR 139 CO 0.20 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2bb4 n GLY 140 N 1.19 0.03 1.28 3.99 0.00 -0.48 -4.54 105.19 106.66 2bb4 n GLY 140 Ca -0.21 -1.18 0.08 0.00 0.00 0.00 0.00 46.02 44.72 2bb4 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2bb4 n TRP 141 N -0.78 1.26 -0.64 1.61 8.01 -1.26 -1.58 117.44 124.05 2bb4 n TRP 141 Ca 0.00 -0.69 -0.30 0.00 -1.31 0.00 0.00 57.50 55.20 2bb4 n TRP 141 Cb 0.00 -0.27 0.26 0.00 -2.01 0.00 0.00 31.31 29.29 2bb4 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2bb4 s GLY 142 N -1.21 1.49 0.37 6.99 0.00 -1.25 -1.37 107.32 112.33 2bb4 s GLY 142 Ca 0.45 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 44.19 2bb4 s GLY 142 CO 0.17 0.19 0.97 1.04 0.00 0.00 0.00 173.10 175.47 2bb4 n LEU 143 N -5.21 2.05 -0.42 0.66 4.77 0.36 -2.13 117.00 117.07 2bb4 n LEU 143 Ca 0.11 1.08 0.12 0.00 -0.03 0.00 0.00 56.01 57.29 2bb4 n LEU 143 Cb 0.59 -1.31 0.26 0.00 -2.33 0.00 0.00 43.42 40.63 2bb4 n LEU 143 CO 0.47 -1.56 0.58 0.35 -1.33 0.00 0.00 177.39 175.90 2bb4 n THR 144 N -0.22 0.00 -3.74 -5.08 -2.24 -0.66 -0.66 114.28 101.68 2bb4 n THR 144 Ca 0.09 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 2bb4 n THR 144 Cb 0.36 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.29 2bb4 n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2bb4 s ARG 145 N -2.37 0.87 0.15 -0.78 1.81 -1.26 -4.21 118.95 113.14 2bb4 s ARG 145 Ca 0.25 -0.57 -0.34 0.00 -1.72 0.00 0.00 55.73 53.35 2bb4 s ARG 145 Cb 0.19 0.37 -0.14 0.00 -0.45 0.00 0.00 34.95 34.92 2bb4 s ARG 145 CO 0.49 -0.29 1.52 2.41 -0.68 0.00 0.00 175.30 178.75 2bb4 n THR 147 N 0.38 0.03 -2.52 0.02 -1.04 -1.26 -0.47 114.28 109.42 2bb4 n THR 147 Ca -0.18 -0.01 -0.20 0.00 -2.04 0.00 0.00 64.05 61.63 2bb4 n THR 147 Cb 0.60 -1.37 -0.00 0.00 -1.82 0.00 0.00 70.33 67.74 2bb4 n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2bb4 n ASN 148 N 3.17 -5.51 0.00 8.00 3.02 -1.26 -4.96 115.26 117.72 2bb4 n ASN 148 Ca 0.17 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2bb4 n ASN 148 Cb 0.27 -4.58 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 2bb4 n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bb4 n GLY 149 N -1.05 1.98 3.23 7.41 0.00 0.38 -5.13 105.19 112.02 2bb4 n GLY 149 Ca -0.20 -1.78 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 2bb4 n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bb4 s GLN 150 N 4.78 1.01 0.65 1.61 -2.07 -1.26 -4.92 119.66 119.47 2bb4 s GLN 150 Ca 0.00 -1.37 -0.18 0.00 -1.82 0.00 0.00 55.36 52.00 2bb4 s GLN 150 Cb 0.00 -0.64 -0.01 0.00 -1.09 0.00 0.00 33.01 31.27 2bb4 s GLN 150 CO 0.00 0.09 1.21 1.28 -1.32 0.00 0.00 175.29 176.55 2bb4 n LEU 151 N 0.04 5.43 -4.77 2.60 4.77 -1.26 -1.66 117.00 122.15 2bb4 n LEU 151 Ca -0.12 0.80 -0.36 0.00 -0.03 0.00 0.00 56.01 56.30 2bb4 n LEU 151 Cb 0.60 -1.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.16 2bb4 n LEU 151 CO 0.30 -1.25 0.80 0.00 -1.33 0.00 0.00 177.39 175.92 2bb4 s ALA 152 N -1.47 2.82 -0.10 -1.18 0.00 -0.47 -4.82 121.76 116.54 2bb4 s ALA 152 Ca 0.81 0.86 -0.27 0.00 0.00 0.00 0.00 51.96 53.36 2bb4 s ALA 152 Cb -0.38 -3.36 -0.23 0.00 0.00 0.00 0.00 23.12 19.14 2bb4 s ALA 152 CO 0.42 -0.70 0.91 1.96 0.00 0.00 0.00 175.76 178.36 2bb4 h GLN 153 N 1.57 -0.01 -5.89 0.00 4.20 -1.94 -3.45 115.11 109.60 2bb4 h GLN 153 Ca -0.50 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 57.58 2bb4 h GLN 153 Cb 1.25 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.98 2bb4 h GLN 153 CO 0.58 0.80 -0.51 0.95 -0.67 0.00 0.00 178.83 179.98 2bb4 s THR 154 N -2.88 5.25 0.17 -0.54 -4.23 -1.26 -0.63 115.64 111.53 2bb4 s THR 154 Ca -0.17 -0.31 -0.33 0.00 -1.18 0.00 0.00 61.69 59.69 2bb4 s THR 154 Cb -0.01 -3.49 -0.14 0.00 1.34 0.00 0.00 72.50 70.20 2bb4 s THR 154 CO 0.67 0.26 1.51 -0.11 -0.54 0.00 0.00 174.62 176.40 2bb4 n LEU 155 N 0.74 2.95 -4.64 4.79 7.94 -0.29 -4.84 117.00 123.65 2bb4 n LEU 155 Ca -0.09 1.10 -0.26 0.00 -1.11 0.00 0.00 56.01 55.65 2bb4 n LEU 155 Cb 0.52 -1.40 -0.08 0.00 0.53 0.00 0.00 43.42 42.99 2bb4 n LEU 155 CO 0.45 -0.42 -0.34 -1.10 -1.11 0.00 0.00 177.39 174.87 2bb4 s GLN 156 N 0.51 2.32 0.05 1.96 -1.52 -0.61 -1.31 119.66 121.07 2bb4 s GLN 156 Ca 0.76 -1.21 0.04 0.00 -1.95 0.00 0.00 55.36 53.01 2bb4 s GLN 156 Cb -0.70 -2.28 -0.03 0.00 -0.22 0.00 0.00 33.01 29.79 2bb4 s GLN 156 CO 0.42 0.43 -0.12 1.14 -0.25 0.00 0.00 175.29 176.91 2bb4 s GLN 157 N -3.10 0.76 -0.02 2.91 -2.07 0.27 -1.38 119.66 117.04 2bb4 s GLN 157 Ca 0.28 -0.83 -0.03 0.00 -1.82 0.00 0.00 55.36 52.97 2bb4 s GLN 157 Cb -0.09 -0.72 0.00 0.00 -1.09 0.00 0.00 33.01 31.12 2bb4 s GLN 157 CO 0.18 0.16 0.07 0.00 -1.32 0.00 0.00 175.29 174.38 2bb4 s ALA 158 N -1.14 -0.16 -0.26 2.60 0.00 -0.36 -0.75 121.76 121.69 2bb4 s ALA 158 Ca -0.03 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 2bb4 s ALA 158 Cb -0.09 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.97 2bb4 s ALA 158 CO 0.01 -0.06 1.06 -0.47 0.00 0.00 0.00 175.76 176.30 2bb4 s TYR 159 N -0.23 3.26 -0.31 0.00 5.04 -1.26 -1.05 117.35 122.80 2bb4 s TYR 159 Ca -0.03 1.35 -0.01 0.00 -2.44 0.00 0.00 57.07 55.95 2bb4 s TYR 159 Cb -0.02 -3.44 0.10 0.00 0.35 0.00 0.00 41.96 38.95 2bb4 s TYR 159 CO 0.00 -0.61 0.09 -0.51 -1.34 0.00 0.00 175.55 173.18 2bb4 s LEU 160 N 3.39 2.35 0.43 6.97 1.43 0.14 -4.94 118.68 128.45 2bb4 s LEU 160 Ca 0.45 -1.63 -0.25 0.00 -1.03 0.00 0.00 54.13 51.68 2bb4 s LEU 160 Cb -0.14 -0.91 -0.08 0.00 0.03 0.00 0.00 46.19 45.09 2bb4 s LEU 160 CO 0.10 -0.41 1.21 -2.16 0.23 0.00 0.00 176.35 175.32 2bb4 s PRO 161 N 1.58 3.90 0.73 1.29 0.04 -1.26 -3.71 135.00 137.57 2bb4 s PRO 161 Ca 0.09 1.91 -0.14 0.00 0.04 0.00 0.00 61.00 62.90 2bb4 s PRO 161 Cb -0.17 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.81 2bb4 s PRO 161 CO -0.23 -0.47 1.17 0.95 0.04 0.00 0.00 177.00 178.46 2bb4 s THR 162 N -1.41 2.58 -0.21 1.26 -4.23 -0.28 -0.70 115.64 112.64 2bb4 s THR 162 Ca 0.60 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.38 2bb4 s THR 162 Cb -0.32 -2.77 0.04 0.00 1.34 0.00 0.00 72.50 70.80 2bb4 s THR 162 CO 0.40 -0.17 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.51 2bb4 s VAL 163 N -2.18 1.81 1.04 2.29 1.01 -0.28 -0.54 120.40 123.55 2bb4 s VAL 163 Ca 0.71 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2bb4 s VAL 163 Cb -0.26 -1.87 0.21 0.00 0.00 0.00 0.00 36.38 34.46 2bb4 s VAL 163 CO 0.46 0.15 1.07 1.51 0.00 0.00 0.00 175.10 178.29 2bb4 s ASP 164 N 1.31 2.12 0.21 3.32 1.47 -1.26 -4.03 116.67 119.82 2bb4 s ASP 164 Ca -0.03 1.57 -0.09 0.00 1.18 0.00 0.00 52.55 55.18 2bb4 s ASP 164 Cb -0.17 -2.24 0.23 0.00 -0.34 0.00 0.00 42.92 40.39 2bb4 s ASP 164 CO -0.08 -3.50 1.83 0.22 0.68 0.00 0.00 175.17 174.33 2bb4 h TYR 165 N -2.14 0.79 -0.91 2.11 3.20 -1.93 0.19 116.97 118.28 2bb4 h TYR 165 Ca -0.55 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.44 2bb4 h TYR 165 Cb 1.31 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 2bb4 h TYR 165 CO 0.34 0.42 0.55 0.00 -1.64 0.00 0.00 178.16 177.83 2bb4 h ALA 166 N 1.33 1.31 0.09 1.82 0.00 -1.97 -0.65 119.26 121.18 2bb4 h ALA 166 Ca 0.30 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2bb4 h ALA 166 Cb 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2bb4 h ALA 166 CO -0.14 0.20 -0.53 0.82 0.00 0.00 0.00 179.25 179.60 2bb4 h ILE 167 N 0.92 1.61 -0.21 0.00 2.04 -1.80 -3.33 117.51 116.74 2bb4 h ILE 167 Ca 0.43 -2.44 -0.03 0.00 1.00 0.00 0.00 64.86 63.82 2bb4 h ILE 167 Cb 0.35 3.23 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 2bb4 h ILE 167 CO -0.23 0.67 0.01 0.00 0.00 0.00 0.00 178.15 178.60 2bb4 n SER 169 N -4.38 7.09 0.00 0.00 3.41 -0.27 -0.51 113.62 118.96 2bb4 n SER 169 Ca 0.00 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.34 2bb4 n SER 169 Cb 0.18 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 2bb4 n SER 169 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bb4 n SER 170 N 1.82 0.00 0.00 4.04 3.41 -1.26 -3.44 113.62 118.19 2bb4 n SER 170 Ca 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 2bb4 n SER 170 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2bb4 n SER 170 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2bb4 n TYR 171 N 0.00 0.00 1.00 7.33 4.02 -1.26 -4.81 117.16 123.45 2bb4 n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 2bb4 n TYR 171 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 2bb4 n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2bb4 n TRP 172 N 0.00 0.00 -4.16 -0.72 7.02 0.33 -4.86 117.44 115.05 2bb4 n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2bb4 n TRP 172 Cb 0.00 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2bb4 n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2bb4 n GLY 173 N 1.44 1.95 0.00 6.99 0.00 -1.22 -2.06 105.19 112.28 2bb4 n GLY 173 Ca 0.08 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.69 2bb4 n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bb4 n SER 174 N -1.15 0.01 -0.01 1.61 3.41 -1.26 -2.94 113.62 113.29 2bb4 n SER 174 Ca 0.00 0.50 -0.02 0.00 -0.26 0.00 0.00 58.87 59.09 2bb4 n SER 174 Cb 0.00 -0.51 0.24 0.00 -0.26 0.00 0.00 64.21 63.69 2bb4 n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2bb4 h THR 175 N 0.00 1.23 -3.24 6.66 2.02 -1.79 -3.42 112.91 114.38 2bb4 h THR 175 Ca 0.00 -1.00 -0.58 0.00 0.77 0.00 0.00 66.41 65.61 2bb4 h THR 175 Cb 0.17 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 2bb4 h THR 175 CO 0.00 0.33 -0.06 -0.69 0.37 0.00 0.00 175.52 175.47 2bb4 s VAL 176 N -4.78 4.88 0.29 3.16 1.01 -1.15 -4.78 120.40 119.03 2bb4 s VAL 176 Ca -0.07 1.16 0.10 0.00 0.00 0.00 0.00 61.98 63.16 2bb4 s VAL 176 Cb 0.15 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2bb4 s VAL 176 CO 0.78 0.49 -0.01 -0.54 0.00 0.00 0.00 175.10 175.81 2bb4 s LYS 177 N -0.62 2.16 0.00 2.72 -0.14 -1.26 -4.89 119.74 117.72 2bb4 s LYS 177 Ca 0.29 -1.56 0.11 0.00 -1.36 0.00 0.00 55.97 53.45 2bb4 s LYS 177 Cb -0.18 -2.05 0.49 0.00 -1.68 0.00 0.00 37.83 34.40 2bb4 s LYS 177 CO 0.17 0.28 1.36 -1.71 -0.76 0.00 0.00 175.35 174.69 2bb4 n ASN 178 N -0.90 0.00 -0.42 2.83 5.15 -1.26 -1.49 115.26 119.17 2bb4 n ASN 178 Ca -0.05 0.48 0.03 0.00 -0.60 0.00 0.00 54.58 54.44 2bb4 n ASN 178 Cb 0.60 -0.49 0.08 0.00 -0.53 0.00 0.00 39.78 39.44 2bb4 n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2bb4 n SER 179 N -1.49 1.16 -4.37 1.20 3.41 -1.26 -4.86 113.62 107.40 2bb4 n SER 179 Ca 0.03 -2.04 -0.20 0.00 -0.26 0.00 0.00 58.87 56.39 2bb4 n SER 179 Cb 0.13 -0.20 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 2bb4 n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2bb4 s MET 180 N -1.70 1.41 -0.09 4.33 -1.94 -0.56 -0.80 119.30 119.95 2bb4 s MET 180 Ca 0.12 -1.61 0.02 0.00 -1.71 0.00 0.00 55.69 52.51 2bb4 s MET 180 Cb 0.07 -1.31 -0.02 0.00 2.01 0.00 0.00 34.83 35.58 2bb4 s MET 180 CO 0.07 0.23 -0.15 0.08 -0.01 0.00 0.00 175.02 175.24 2bb4 s VAL 181 N -2.72 2.91 -0.05 -6.03 1.01 0.76 -4.69 120.40 111.58 2bb4 s VAL 181 Ca 0.23 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 2bb4 s VAL 181 Cb -0.03 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2bb4 s VAL 181 CO 0.09 0.56 0.10 0.00 0.00 0.00 0.00 175.10 175.84 2bb4 s ALA 183 N -1.11 -0.95 0.00 0.00 0.00 -0.26 -1.12 121.76 118.31 2bb4 s ALA 183 Ca 0.20 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2bb4 s ALA 183 Cb -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2bb4 s ALA 183 CO 0.10 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2bb4 n GLY 184 N 2.60 0.82 1.44 0.00 0.00 0.12 -1.00 105.19 109.17 2bb4 n GLY 184 Ca -0.14 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2bb4 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bb4 n GLY 185 N 0.00 0.58 0.01 -0.02 0.00 -1.26 -4.65 105.19 99.84 2bb4 n GLY 185 Ca 0.00 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.60 2bb4 n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bb4 n ASP 186 N 1.03 0.03 0.00 1.61 3.85 -1.26 -1.31 116.55 120.50 2bb4 n ASP 186 Ca 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 54.79 53.96 2bb4 n ASP 186 Cb 0.00 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 39.48 2bb4 n ASP 186 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2bb4 n GLY 187 N 1.30 1.02 0.60 6.12 0.00 -1.26 -4.78 105.19 108.20 2bb4 n GLY 187 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2bb4 n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bb4 n VAL 188 N -2.00 0.00 -4.90 1.61 0.31 -1.26 -4.64 118.33 107.45 2bb4 n VAL 188 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 2bb4 n VAL 188 Cb 0.00 -1.05 -0.13 0.00 -0.91 0.00 0.00 33.84 31.75 2bb4 n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2bb4 s ARG 188 N -1.98 2.57 -0.05 5.55 0.52 -1.26 -3.75 118.95 120.55 2bb4 s ARG 188 Ca 0.00 -0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 2bb4 s ARG 188 Cb 0.00 -2.38 0.11 0.00 0.52 0.00 0.00 34.95 33.20 2bb4 s ARG 188 CO 0.00 0.58 1.12 -1.54 0.02 0.00 0.00 175.30 175.47 2bb4 s SER 189 N -0.61 -0.17 0.94 0.23 1.04 -0.76 -4.35 113.70 110.01 2bb4 s SER 189 Ca 0.09 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.30 2bb4 s SER 189 Cb -0.11 0.26 0.15 0.00 0.10 0.00 0.00 66.02 66.42 2bb4 s SER 189 CO 0.01 -0.45 1.10 -0.83 0.98 0.00 0.00 173.24 174.06 2bb4 s GLY 190 N -2.58 1.58 0.32 7.32 0.00 -1.26 -0.88 107.32 111.82 2bb4 s GLY 190 Ca 0.10 -0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.35 2bb4 s GLY 190 CO -0.04 0.23 0.65 0.00 0.00 0.00 0.00 173.10 173.94 2bb4 n GLN 192 N -0.49 1.70 0.00 0.00 3.00 -1.26 -1.03 117.38 119.30 2bb4 n GLN 192 Ca -0.04 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 2bb4 n GLN 192 Cb 0.60 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.60 2bb4 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2bb4 n GLY 193 N 2.41 2.20 0.08 1.08 0.00 -1.26 -0.49 105.19 109.21 2bb4 n GLY 193 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 2bb4 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bb4 n ASP 194 N 0.00 0.66 -4.50 1.61 8.00 -0.20 -3.69 116.55 118.42 2bb4 n ASP 194 Ca 0.00 0.19 -0.43 0.00 0.71 0.00 0.00 54.79 55.27 2bb4 n ASP 194 Cb 0.00 0.76 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 2bb4 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2bb4 n SER 195 N -2.48 -0.10 0.00 -2.24 7.64 -1.26 -1.66 113.62 113.52 2bb4 n SER 195 Ca -0.00 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2bb4 n SER 195 Cb 0.53 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2bb4 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bb4 n GLY 196 N 1.59 3.13 3.85 0.23 0.00 0.41 -0.18 105.19 114.21 2bb4 n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2bb4 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bb4 s GLY 197 N -1.66 1.70 0.36 -0.02 0.00 -0.67 -3.24 107.32 103.79 2bb4 s GLY 197 Ca 0.00 -1.01 -0.20 0.00 0.00 0.00 0.00 44.72 43.52 2bb4 s GLY 197 CO 0.00 -0.28 0.86 2.56 0.00 0.00 0.00 173.10 176.25 2bb4 s PRO 198 N -5.69 4.21 -0.27 2.90 0.04 -1.26 -0.70 135.00 134.23 2bb4 s PRO 198 Ca 0.71 0.99 -0.06 0.00 0.04 0.00 0.00 61.00 62.67 2bb4 s PRO 198 Cb -0.07 -2.41 -0.00 0.00 0.04 0.00 0.00 34.50 32.06 2bb4 s PRO 198 CO 0.53 0.11 0.05 -1.17 0.04 0.00 0.00 177.00 176.56 2bb4 s LEU 199 N -2.85 3.54 -0.23 -3.56 2.96 -0.53 -3.31 118.68 114.70 2bb4 s LEU 199 Ca 0.56 -0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 53.84 2bb4 s LEU 199 Cb -0.11 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2bb4 s LEU 199 CO 0.17 -0.12 0.21 -1.00 -1.32 0.00 0.00 176.35 174.29 2bb4 s HIS 200 N 1.52 3.33 0.01 5.38 3.76 -0.03 -0.90 115.29 128.36 2bb4 s HIS 200 Ca 0.04 0.32 0.06 0.00 -0.15 0.00 0.00 55.06 55.32 2bb4 s HIS 200 Cb -0.16 -2.32 -0.02 0.00 1.11 0.00 0.00 32.58 31.19 2bb4 s HIS 200 CO 0.02 0.06 -0.17 0.00 -0.85 0.00 0.00 174.74 173.80 2bb4 s LEU 202 N -0.68 4.09 -0.04 0.00 2.96 -0.72 -1.20 118.68 123.09 2bb4 s LEU 202 Ca 0.06 0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 54.55 2bb4 s LEU 202 Cb -0.07 -2.82 0.03 0.00 0.50 0.00 0.00 46.19 43.83 2bb4 s LEU 202 CO 0.00 -0.40 0.03 -0.69 -1.32 0.00 0.00 176.35 173.97 2bb4 s VAL 203 N 2.52 0.06 -1.57 1.68 1.01 -0.35 -4.73 120.40 119.02 2bb4 s VAL 203 Ca 0.25 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 2bb4 s VAL 203 Cb -0.15 -0.22 0.09 0.00 0.00 0.00 0.00 36.38 36.10 2bb4 s VAL 203 CO 0.10 0.16 0.73 0.59 0.00 0.00 0.00 175.10 176.68 2bb4 n ASN 204 N 4.62 -2.77 0.00 3.32 5.03 -1.26 -1.82 115.26 122.38 2bb4 n ASN 204 Ca -0.17 -0.95 0.00 0.00 0.87 0.00 0.00 54.58 54.33 2bb4 n ASN 204 Cb 0.50 -3.17 0.00 0.00 -1.02 0.00 0.00 39.78 36.09 2bb4 n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bb4 n GLY 205 N -1.63 1.65 3.19 7.41 0.00 -1.26 -5.01 105.19 109.53 2bb4 n GLY 205 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2bb4 n GLY 205 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2bb4 s GLN 206 N -0.30 2.11 0.17 1.61 0.74 -0.76 -5.10 119.66 118.13 2bb4 s GLN 206 Ca 0.00 -0.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.38 2bb4 s GLN 206 Cb 0.00 -1.81 -0.07 0.00 1.10 0.00 0.00 33.01 32.23 2bb4 s GLN 206 CO 0.00 0.30 1.04 0.71 -0.55 0.00 0.00 175.29 176.79 2bb4 s TYR 207 N -0.04 3.70 0.10 1.67 1.51 -1.26 -1.22 117.35 121.81 2bb4 s TYR 207 Ca -0.04 1.69 0.03 0.00 -1.01 0.00 0.00 57.07 57.75 2bb4 s TYR 207 Cb -0.12 -3.18 -0.04 0.00 -0.11 0.00 0.00 41.96 38.51 2bb4 s TYR 207 CO 0.03 -0.26 -0.10 0.00 -1.11 0.00 0.00 175.55 174.11 2bb4 s ALA 208 N -0.31 1.09 -0.69 3.71 0.00 -0.34 -4.71 121.76 120.51 2bb4 s ALA 208 Ca 0.48 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.00 2bb4 s ALA 208 Cb -0.27 0.05 0.07 0.00 0.00 0.00 0.00 23.12 22.96 2bb4 s ALA 208 CO 0.33 -0.06 1.03 0.08 0.00 0.00 0.00 175.76 177.14 2bb4 s VAL 209 N -2.59 4.24 -0.49 0.00 1.01 0.71 -0.56 120.40 122.71 2bb4 s VAL 209 Ca 0.06 -0.31 0.23 0.00 0.00 0.00 0.00 61.98 61.96 2bb4 s VAL 209 Cb -0.02 -4.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.60 2bb4 s VAL 209 CO -0.01 -1.54 1.13 1.41 0.00 0.00 0.00 175.10 176.10 2bb4 n HIS 210 N 7.94 0.59 -4.08 5.22 8.25 -0.08 -4.30 115.22 128.76 2bb4 n HIS 210 Ca -0.01 0.17 -0.13 0.00 -0.26 0.00 0.00 57.72 57.50 2bb4 n HIS 210 Cb 0.46 -0.68 -0.11 0.00 1.12 0.00 0.00 29.99 30.78 2bb4 n HIS 210 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2bb4 s GLY 211 N -3.90 0.55 -0.25 -1.41 0.00 -1.14 -1.32 107.32 99.85 2bb4 s GLY 211 Ca 0.03 -0.87 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 2bb4 s GLY 211 CO 0.77 -0.93 -0.02 0.14 0.00 0.00 0.00 173.10 173.05 2bb4 s VAL 212 N -1.79 3.30 0.15 1.40 1.01 -0.62 -1.45 120.40 122.40 2bb4 s VAL 212 Ca -0.06 -0.74 -0.33 0.00 0.00 0.00 0.00 61.98 60.85 2bb4 s VAL 212 Cb -0.07 -2.61 -0.13 0.00 0.00 0.00 0.00 36.38 33.57 2bb4 s VAL 212 CO -0.01 0.27 1.69 0.41 0.00 0.00 0.00 175.10 177.46 2bb4 n THR 213 N 4.76 0.10 0.04 3.92 -1.04 0.13 -0.60 114.28 121.59 2bb4 n THR 213 Ca -0.17 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2bb4 n THR 213 Cb 0.49 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 2bb4 n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2bb4 n SER 214 N 4.17 0.84 -3.72 8.00 2.88 0.11 -0.44 113.62 125.44 2bb4 n SER 214 Ca 0.17 0.12 -0.10 0.00 -1.33 0.00 0.00 58.87 57.74 2bb4 n SER 214 Cb 0.32 -0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 63.48 2bb4 n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bb4 s PHE 215 N -2.00 -0.07 0.45 0.66 -0.71 -0.67 -4.94 117.98 110.71 2bb4 s PHE 215 Ca 0.00 -0.27 0.03 0.00 -1.04 0.00 0.00 56.93 55.65 2bb4 s PHE 215 Cb 0.00 0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.92 2bb4 s PHE 215 CO 0.00 -0.62 0.07 0.14 -1.34 0.00 0.00 175.22 173.46 2bb4 s VAL 216 N -3.68 0.90 0.48 -2.49 -7.23 -1.26 -1.19 120.40 105.93 2bb4 s VAL 216 Ca 0.03 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.97 2bb4 s VAL 216 Cb 0.03 -2.28 -0.07 0.00 0.56 0.00 0.00 36.38 34.61 2bb4 s VAL 216 CO -0.11 0.00 1.23 -0.55 -0.31 0.00 0.00 175.10 175.36 2bb4 s SER 217 N -3.73 5.94 0.58 4.85 0.15 -1.23 -4.90 113.70 115.35 2bb4 s SER 217 Ca 0.16 2.46 0.35 0.00 0.70 0.00 0.00 55.95 59.62 2bb4 s SER 217 Cb 0.02 -2.62 1.69 0.00 -1.71 0.00 0.00 66.02 63.41 2bb4 s SER 217 CO 0.09 -1.09 2.12 0.03 1.20 0.00 0.00 173.24 175.59 2bb4 h ARG 217 N 1.95 0.00 0.00 5.44 3.08 -2.00 -2.71 114.38 120.14 2bb4 h ARG 217 Ca -0.50 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.44 2bb4 h ARG 217 Cb 1.26 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 2bb4 h ARG 217 CO 0.60 0.04 -0.56 -0.07 -1.07 0.00 0.00 179.97 178.91 2bb4 h LEU 218 N 0.00 0.00 0.00 3.04 3.38 -2.04 -3.48 115.31 116.20 2bb4 h LEU 218 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bb4 h LEU 218 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2bb4 h LEU 218 CO 0.00 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2bb4 n GLY 219 N 0.12 1.57 0.20 0.83 0.00 -1.02 -5.05 105.19 101.83 2bb4 n GLY 219 Ca -0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 2bb4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bb4 s ASN 221 N -5.08 6.76 -0.11 0.00 4.22 -1.26 -4.70 114.94 114.76 2bb4 s ASN 221 Ca -0.07 -2.51 0.03 0.00 -2.14 0.00 0.00 52.86 48.18 2bb4 s ASN 221 Cb 0.01 -2.29 0.01 0.00 1.28 0.00 0.00 41.25 40.25 2bb4 s ASN 221 CO 0.20 -0.75 -0.21 -0.69 -2.04 0.00 0.00 177.10 173.61 2bb4 s VAL 221 N 1.10 1.88 0.28 3.54 1.01 -1.26 -4.63 120.40 122.32 2bb4 s VAL 221 Ca 0.25 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2bb4 s VAL 221 Cb -0.08 -1.65 -0.11 0.00 0.00 0.00 0.00 36.38 34.54 2bb4 s VAL 221 CO -0.09 0.52 1.53 -0.89 0.00 0.00 0.00 175.10 176.17 2bb4 s THR 222 N 0.59 2.30 -1.00 3.92 2.01 -1.26 -1.12 115.64 121.09 2bb4 s THR 222 Ca -0.14 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2bb4 s THR 222 Cb -0.17 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2bb4 s THR 222 CO 0.04 0.04 0.00 0.54 -0.69 0.00 0.00 174.62 174.55 2bb4 n ARG 223 N 2.14 -1.23 -3.49 4.92 1.74 -0.43 -4.92 116.66 115.40 2bb4 n ARG 223 Ca 0.07 0.78 -0.27 0.00 -0.77 0.00 0.00 57.85 57.66 2bb4 n ARG 223 Cb 0.39 -4.91 -0.09 0.00 -1.02 0.00 0.00 32.46 26.82 2bb4 n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2bb4 n LYS 224 N -1.58 2.22 -1.00 5.56 4.76 -0.28 -4.19 118.16 123.65 2bb4 n LYS 224 Ca -0.09 -4.50 -0.33 0.00 -2.87 0.00 0.00 58.31 50.52 2bb4 n LYS 224 Cb 0.45 -2.17 0.13 0.00 -1.84 0.00 0.00 35.03 31.60 2bb4 n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2bb4 n PRO 225 N 1.13 0.02 -2.01 1.97 -0.04 -1.26 -4.50 135.00 130.30 2bb4 n PRO 225 Ca 0.27 0.08 -0.40 0.00 -0.04 0.00 0.00 63.50 63.41 2bb4 n PRO 225 Cb 0.41 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.58 2bb4 n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2bb4 s THR 226 N -2.23 2.52 -0.09 0.52 2.01 -0.17 -4.75 115.64 113.45 2bb4 s THR 226 Ca 0.69 0.49 0.01 0.00 0.31 0.00 0.00 61.69 63.19 2bb4 s THR 226 Cb -0.28 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 2bb4 s THR 226 CO 0.55 0.09 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.76 2bb4 s VAL 227 N -1.21 3.22 0.03 3.82 1.01 -0.33 -1.10 120.40 125.84 2bb4 s VAL 227 Ca 0.55 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2bb4 s VAL 227 Cb -0.40 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2bb4 s VAL 227 CO 0.52 0.56 -0.21 -0.36 0.00 0.00 0.00 175.10 175.61 2bb4 s PHE 228 N -0.22 1.88 0.23 5.22 0.08 0.42 -0.71 117.98 124.88 2bb4 s PHE 228 Ca 0.01 -0.37 -0.31 0.00 0.12 0.00 0.00 56.93 56.38 2bb4 s PHE 228 Cb -0.13 -1.14 -0.10 0.00 -0.57 0.00 0.00 43.02 41.07 2bb4 s PHE 228 CO 0.03 0.07 1.52 0.99 -0.10 0.00 0.00 175.22 177.72 2bb4 s THR 229 N -0.73 2.52 -0.57 0.64 2.01 0.23 -0.17 115.64 119.58 2bb4 s THR 229 Ca 0.08 0.41 -0.28 0.00 0.31 0.00 0.00 61.69 62.21 2bb4 s THR 229 Cb -0.09 -3.26 0.03 0.00 0.01 0.00 0.00 72.50 69.19 2bb4 s THR 229 CO 0.01 0.05 1.18 -0.60 -0.69 0.00 0.00 174.62 174.57 2bb4 s ARG 230 N 0.13 3.54 0.29 4.92 3.52 0.02 -1.59 118.95 129.77 2bb4 s ARG 230 Ca 0.64 0.27 0.03 0.00 -0.13 0.00 0.00 55.73 56.54 2bb4 s ARG 230 Cb -0.44 -4.00 0.62 0.00 -1.56 0.00 0.00 34.95 29.57 2bb4 s ARG 230 CO 0.40 -1.64 1.81 0.28 -0.81 0.00 0.00 175.30 175.34 2bb4 h VAL 231 N 6.16 0.83 0.00 7.11 2.07 -1.50 -1.41 116.25 129.51 2bb4 h VAL 231 Ca -0.25 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2bb4 h VAL 231 Cb 1.06 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2bb4 h VAL 231 CO 1.18 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 177.39 2bb4 n SER 232 N -4.69 0.00 0.03 0.57 3.41 -1.26 -0.92 113.62 110.76 2bb4 n SER 232 Ca 0.20 0.29 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 2bb4 n SER 232 Cb 0.44 -0.39 0.45 0.00 -0.26 0.00 0.00 64.21 64.45 2bb4 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bb4 n ALA 233 N -1.39 2.60 -0.59 7.33 0.00 -0.53 -1.14 120.51 126.79 2bb4 n ALA 233 Ca 0.05 -0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2bb4 n ALA 233 Cb 0.13 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.25 2bb4 n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bb4 n TYR 234 N -1.75 0.00 -0.11 0.00 4.02 -0.09 -4.82 117.16 114.41 2bb4 n TYR 234 Ca 0.06 -0.59 -0.06 0.00 -0.01 0.00 0.00 57.90 57.30 2bb4 n TYR 234 Cb 0.37 -0.08 0.02 0.00 -0.02 0.00 0.00 39.34 39.63 2bb4 n TYR 234 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2bb4 h ILE 235 N 0.72 0.88 -0.49 -0.72 1.08 -1.72 0.55 117.51 117.80 2bb4 h ILE 235 Ca 0.00 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 2bb4 h ILE 235 Cb 0.77 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2bb4 h ILE 235 CO 0.00 0.05 0.25 0.28 -0.69 0.00 0.00 178.15 178.05 2bb4 h SER 236 N 0.28 0.63 -0.35 1.72 0.02 -1.92 -0.71 113.55 113.23 2bb4 h SER 236 Ca 0.17 -0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2bb4 h SER 236 Cb 0.16 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 2bb4 h SER 236 CO -0.18 0.56 0.08 -0.25 -1.14 0.00 0.00 176.83 175.90 2bb4 h TRP 237 N 0.65 0.14 -0.10 3.45 7.01 -1.79 0.33 115.95 125.64 2bb4 h TRP 237 Ca 0.17 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.19 2bb4 h TRP 237 Cb 0.08 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.13 2bb4 h TRP 237 CO -0.01 0.03 0.06 0.82 -2.79 0.00 0.00 178.44 176.56 2bb4 h ILE 238 N 0.21 1.04 -0.98 2.65 2.04 -0.65 -0.74 117.51 121.06 2bb4 h ILE 238 Ca 0.16 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2bb4 h ILE 238 Cb 0.17 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 2bb4 h ILE 238 CO -0.20 0.03 0.64 0.78 0.00 0.00 0.00 178.15 179.40 2bb4 h ASN 239 N 0.12 1.08 -0.33 1.72 2.35 -0.88 -1.82 115.58 117.82 2bb4 h ASN 239 Ca 0.04 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 2bb4 h ASN 239 Cb 0.00 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 2bb4 h ASN 239 CO -0.01 0.75 -0.26 0.78 -1.65 0.00 0.00 177.43 177.04 2bb4 h ASN 240 N 1.26 0.85 -0.26 5.81 2.35 -0.26 -1.01 115.58 124.32 2bb4 h ASN 240 Ca 0.38 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2bb4 h ASN 240 Cb -0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2bb4 h ASN 240 CO -0.12 1.07 0.05 0.58 -1.65 0.00 0.00 177.43 177.36 2bb4 h VAL 241 N 0.71 1.22 -0.61 2.81 2.07 -0.84 -1.72 116.25 119.90 2bb4 h VAL 241 Ca 0.09 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 2bb4 h VAL 241 Cb 0.80 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 2bb4 h VAL 241 CO 0.07 0.24 0.06 0.40 0.02 0.00 0.00 177.57 178.35 2bb4 h ILE 242 N 0.25 1.26 -0.16 4.57 2.04 -1.18 -2.16 117.51 122.13 2bb4 h ILE 242 Ca 0.08 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 2bb4 h ILE 242 Cb 0.31 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2bb4 h ILE 242 CO 0.00 0.39 -0.19 0.00 0.00 0.00 0.00 178.15 178.36 2bb4 h ALA 243 N 1.01 1.38 -0.06 1.87 0.00 -1.14 -2.99 119.26 119.33 2bb4 h ALA 243 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2bb4 h ALA 243 Cb 0.48 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2bb4 h ALA 243 CO 0.02 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 2bb4 n SER 244 N -4.21 2.25 0.00 0.00 3.41 -0.65 -5.09 113.62 109.33 2bb4 n SER 244 Ca -0.01 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2bb4 n SER 244 Cb 0.32 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2bb4 n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47