#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s84 s VAL 17 N 0.00 4.50 0.00 1.39 1.01 0.08 -4.03 120.40 123.35 1s84 s VAL 17 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1s84 s VAL 17 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1s84 s VAL 17 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1s84 n GLY 18 N 3.04 0.46 0.00 4.51 0.00 -1.23 -1.83 105.19 110.14 1s84 n GLY 18 Ca -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1s84 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s84 n GLY 19 N -2.94 1.74 3.16 -0.02 0.00 -1.26 -4.85 105.19 101.01 1s84 n GLY 19 Ca 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1s84 n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1s84 s TYR 20 N 2.28 0.16 0.04 1.61 1.13 -0.14 -4.96 117.35 117.46 1s84 s TYR 20 Ca 0.00 -0.49 -0.30 0.00 -1.41 0.00 0.00 57.07 54.87 1s84 s TYR 20 Cb 0.00 -0.10 -0.07 0.00 -1.10 0.00 0.00 41.96 40.69 1s84 s TYR 20 CO 0.00 -0.43 1.59 0.99 -2.51 0.00 0.00 175.55 175.19 1s84 s THR 21 N -2.99 3.28 0.59 -3.49 2.01 -1.26 -0.48 115.64 113.30 1s84 s THR 21 Ca -0.02 0.67 -0.20 0.00 0.31 0.00 0.00 61.69 62.45 1s84 s THR 21 Cb 0.01 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 1s84 s THR 21 CO -0.06 -0.01 1.31 0.00 -0.69 0.00 0.00 174.62 175.17 1s84 n ALA 23 N -1.46 1.21 -1.68 0.00 0.00 -1.26 -4.86 120.51 112.46 1s84 n ALA 23 Ca 0.13 0.34 -0.48 0.00 0.00 0.00 0.00 53.44 53.43 1s84 n ALA 23 Cb 0.46 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.62 1s84 n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s84 n ALA 24 N 0.19 1.01 -1.33 0.00 0.00 -1.26 -1.82 120.51 117.30 1s84 n ALA 24 Ca 0.05 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 1s84 n ALA 24 Cb 0.37 -2.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 1s84 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1s84 n ASN 25 N 5.69 -4.98 0.00 0.00 4.13 -1.26 -4.89 115.26 113.95 1s84 n ASN 25 Ca 0.21 0.28 0.14 0.00 1.68 0.00 0.00 54.58 56.89 1s84 n ASN 25 Cb 0.29 -3.47 0.79 0.00 -1.54 0.00 0.00 39.78 35.86 1s84 n ASN 25 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1s84 n SER 26 N -0.58 0.00 -3.25 6.41 3.41 -0.76 -3.95 113.62 114.90 1s84 n SER 26 Ca -0.11 -0.49 -0.26 0.00 -0.26 0.00 0.00 58.87 57.75 1s84 n SER 26 Cb 0.47 -0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 1s84 n SER 26 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1s84 n ILE 27 N -1.15 1.67 0.44 -1.33 2.08 -1.26 -4.98 119.36 114.82 1s84 n ILE 27 Ca 0.18 -5.00 0.11 0.00 0.56 0.00 0.00 62.75 58.60 1s84 n ILE 27 Cb 0.17 -1.76 0.46 0.00 -0.75 0.00 0.00 39.64 37.76 1s84 n ILE 27 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1s84 n PRO 28 N 0.68 0.17 0.02 0.38 -0.04 -1.25 -1.51 135.00 133.45 1s84 n PRO 28 Ca 0.28 0.38 0.13 0.00 -0.04 0.00 0.00 63.50 64.25 1s84 n PRO 28 Cb 0.45 -1.81 0.41 0.00 -0.04 0.00 0.00 33.50 32.51 1s84 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1s84 n TYR 29 N -2.13 0.21 -2.37 0.54 0.18 -1.15 -2.10 117.16 110.33 1s84 n TYR 29 Ca 0.03 0.06 -0.42 0.00 1.88 0.00 0.00 57.90 59.45 1s84 n TYR 29 Cb 0.24 -0.50 -0.03 0.00 -0.38 0.00 0.00 39.34 38.66 1s84 n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1s84 s GLN 30 N -3.04 4.40 0.30 -3.48 2.00 -0.57 -0.82 119.66 118.45 1s84 s GLN 30 Ca 0.11 1.82 0.10 0.00 -2.00 0.00 0.00 55.36 55.40 1s84 s GLN 30 Cb 0.17 -3.35 -0.05 0.00 0.80 0.00 0.00 33.01 30.58 1s84 s GLN 30 CO 0.62 -0.31 -0.06 0.14 -0.50 0.00 0.00 175.29 175.18 1s84 s VAL 31 N 1.18 2.88 -0.16 1.34 -7.23 -0.55 -4.45 120.40 113.41 1s84 s VAL 31 Ca 0.60 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 1s84 s VAL 31 Cb -0.30 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 1s84 s VAL 31 CO 0.29 -0.32 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.16 1s84 s SER 32 N -3.64 4.71 -0.16 4.85 0.15 -0.65 -2.42 113.70 116.54 1s84 s SER 32 Ca 0.32 -0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.64 1s84 s SER 32 Cb -0.04 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1s84 s SER 32 CO 0.18 0.16 0.47 -0.76 1.20 0.00 0.00 173.24 174.49 1s84 s LEU 33 N 0.42 4.21 -0.07 3.45 1.43 0.16 -0.80 118.68 127.47 1s84 s LEU 33 Ca -0.04 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1s84 s LEU 33 Cb -0.14 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.43 1s84 s LEU 33 CO 0.03 -0.07 -0.14 0.21 0.23 0.00 0.00 176.35 176.61 1s84 s ASN 34 N 0.88 2.01 -0.39 2.29 3.84 -0.14 -1.35 114.94 122.08 1s84 s ASN 34 Ca 0.24 -0.34 0.02 0.00 0.21 0.00 0.00 52.86 52.98 1s84 s ASN 34 Cb -0.15 -0.93 0.15 0.00 -0.55 0.00 0.00 41.25 39.78 1s84 s ASN 34 CO 0.09 0.05 0.28 -0.55 -2.79 0.00 0.00 177.10 174.18 1s84 s SER 37 N 0.64 2.27 0.00 -4.21 0.15 -1.26 -1.17 113.70 110.13 1s84 s SER 37 Ca -0.15 -2.64 0.00 0.00 0.70 0.00 0.00 55.95 53.87 1s84 s SER 37 Cb -0.16 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 1s84 s SER 37 CO 0.04 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1s84 n GLY 38 N 3.44 0.94 3.37 9.45 0.00 -1.26 -4.83 105.19 116.29 1s84 n GLY 38 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1s84 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s84 s SER 39 N 0.00 0.04 0.15 1.61 1.04 -1.26 -5.13 113.70 110.15 1s84 s SER 39 Ca 0.00 -1.19 -0.34 0.00 0.48 0.00 0.00 55.95 54.90 1s84 s SER 39 Cb 0.00 0.47 -0.14 0.00 0.10 0.00 0.00 66.02 66.45 1s84 s SER 39 CO 0.00 -0.97 1.50 1.57 0.98 0.00 0.00 173.24 176.32 1s84 n HIS 40 N -0.32 2.08 0.00 5.02 -0.00 -1.26 -4.31 115.22 116.42 1s84 n HIS 40 Ca 0.00 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.56 1s84 n HIS 40 Cb 0.64 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 28.03 1s84 n HIS 40 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 1s84 n PHE 41 N 3.05 0.00 -3.65 1.57 -1.74 -0.46 -4.94 117.46 111.30 1s84 n PHE 41 Ca 0.17 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.96 1s84 n PHE 41 Cb 0.27 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.24 1s84 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1s84 s GLY 43 N -2.84 1.75 0.24 0.00 0.00 0.13 -0.67 107.32 105.93 1s84 s GLY 43 Ca 0.06 -2.00 -0.21 0.00 0.00 0.00 0.00 44.72 42.58 1s84 s GLY 43 CO -0.05 -1.52 0.91 -0.32 0.00 0.00 0.00 173.10 172.13 1s84 s GLY 44 N -4.67 0.06 -0.07 0.20 0.00 -1.01 -3.75 107.32 98.08 1s84 s GLY 44 Ca 0.63 -0.32 0.02 0.00 0.00 0.00 0.00 44.72 45.05 1s84 s GLY 44 CO 0.40 0.73 -0.10 -0.56 0.00 0.00 0.00 173.10 173.57 1s84 s SER 45 N -3.13 1.68 -0.18 1.64 0.01 0.03 -1.49 113.70 112.26 1s84 s SER 45 Ca 0.16 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.86 1s84 s SER 45 Cb -0.03 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.43 1s84 s SER 45 CO 0.06 -0.01 1.25 -0.22 0.41 0.00 0.00 173.24 174.74 1s84 s LEU 46 N 0.87 4.15 -0.00 2.44 2.96 0.00 -0.97 118.68 128.13 1s84 s LEU 46 Ca -0.11 1.63 0.07 0.00 -0.22 0.00 0.00 54.13 55.50 1s84 s LEU 46 Cb -0.15 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1s84 s LEU 46 CO 0.01 -0.78 0.27 2.30 -1.32 0.00 0.00 176.35 176.83 1s84 n ILE 47 N 5.44 0.00 -3.55 6.68 -5.35 -0.54 -1.42 119.36 120.63 1s84 n ILE 47 Ca 0.14 -0.32 -0.13 0.00 -0.27 0.00 0.00 62.75 62.17 1s84 n ILE 47 Cb 0.45 0.91 -0.05 0.00 -1.74 0.00 0.00 39.64 39.21 1s84 n ILE 47 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1s84 s ASN 48 N -1.79 -0.45 0.59 7.28 3.84 -1.12 -4.69 114.94 118.60 1s84 s ASN 48 Ca 0.02 0.12 0.29 0.00 0.21 0.00 0.00 52.86 53.49 1s84 s ASN 48 Cb 0.05 0.51 1.66 0.00 -0.55 0.00 0.00 41.25 42.92 1s84 s ASN 48 CO 0.28 -0.77 2.11 0.77 -2.79 0.00 0.00 177.10 176.69 1s84 h SER 49 N 2.60 0.00 -0.02 -4.21 4.64 -1.96 -2.16 113.55 112.45 1s84 h SER 49 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1s84 h SER 49 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1s84 h SER 49 CO 0.41 0.00 -0.27 0.00 -0.87 0.00 0.00 176.83 176.11 1s84 n GLN 50 N -3.81 1.58 -3.98 4.77 6.02 -1.26 -0.43 117.38 120.27 1s84 n GLN 50 Ca 0.01 -1.04 -0.16 0.00 -0.01 0.00 0.00 57.00 55.80 1s84 n GLN 50 Cb 0.32 -1.32 -0.16 0.00 1.02 0.00 0.00 30.24 30.10 1s84 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1s84 s TRP 51 N -1.88 0.33 -0.08 1.08 0.52 -0.81 -0.77 118.94 117.33 1s84 s TRP 51 Ca 0.16 -0.03 0.03 0.00 0.02 0.00 0.00 56.10 56.28 1s84 s TRP 51 Cb 0.14 -0.36 -0.02 0.00 -1.15 0.00 0.00 33.47 32.08 1s84 s TRP 51 CO 0.38 -0.10 -0.15 0.08 0.02 0.00 0.00 176.95 177.18 1s84 s VAL 52 N 0.71 2.92 -0.10 4.03 1.01 0.04 -1.46 120.40 127.56 1s84 s VAL 52 Ca -0.07 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1s84 s VAL 52 Cb -0.10 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1s84 s VAL 52 CO -0.01 0.56 0.08 0.54 0.00 0.00 0.00 175.10 176.27 1s84 s VAL 53 N -0.24 4.95 0.00 2.92 0.11 -0.14 -0.56 120.40 127.44 1s84 s VAL 53 Ca 0.01 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1s84 s VAL 53 Cb -0.13 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 1s84 s VAL 53 CO 0.03 0.60 0.00 -0.24 -3.33 0.00 0.00 175.10 172.16 1s84 n SER 54 N 1.99 0.00 -4.79 3.54 2.88 -0.32 -0.79 113.62 116.13 1s84 n SER 54 Ca -0.19 -0.88 -0.38 0.00 -1.33 0.00 0.00 58.87 56.10 1s84 n SER 54 Cb 0.54 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.94 1s84 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1s84 s ALA 55 N -1.45 3.61 0.46 -1.46 0.00 -1.26 -1.11 121.76 120.55 1s84 s ALA 55 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 51.96 51.89 1s84 s ALA 55 Cb 0.00 -2.49 1.03 0.00 0.00 0.00 0.00 23.12 21.66 1s84 s ALA 55 CO 0.00 0.30 2.05 0.00 0.00 0.00 0.00 175.76 178.11 1s84 h ALA 56 N 5.45 1.78 0.00 0.00 0.00 -1.69 -1.67 119.26 123.12 1s84 h ALA 56 Ca -0.47 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1s84 h ALA 56 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1s84 h ALA 56 CO 0.67 0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.70 1s84 n HIS 57 N -4.42 0.07 1.78 0.00 1.44 -1.26 -1.46 115.22 111.36 1s84 n HIS 57 Ca -0.01 0.03 0.15 0.00 -2.01 0.00 0.00 57.72 55.87 1s84 n HIS 57 Cb 0.16 -0.54 0.74 0.00 0.12 0.00 0.00 29.99 30.46 1s84 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1s84 n TYR 59 N -0.49 1.75 -4.11 0.00 9.36 -0.53 -5.02 117.16 118.12 1s84 n TYR 59 Ca 0.21 0.53 -0.08 0.00 3.32 0.00 0.00 57.90 61.87 1s84 n TYR 59 Cb 0.21 -2.39 -0.10 0.00 -0.63 0.00 0.00 39.34 36.43 1s84 n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1s84 s LYS 60 N 0.30 0.66 0.40 2.98 1.02 -1.26 -5.07 119.74 118.78 1s84 s LYS 60 Ca 0.79 -1.22 0.09 0.00 0.02 0.00 0.00 55.97 55.65 1s84 s LYS 60 Cb -0.82 0.07 0.85 0.00 -0.52 0.00 0.00 37.83 37.40 1s84 s LYS 60 CO 0.46 -0.08 1.99 0.77 -0.92 0.00 0.00 175.35 177.57 1s84 h SER 61 N 3.19 0.31 -3.47 2.83 0.02 -2.00 -3.42 113.55 111.01 1s84 h SER 61 Ca -0.34 -0.04 -0.40 0.00 -0.84 0.00 0.00 61.79 60.17 1s84 h SER 61 Cb 1.15 -0.08 -0.34 0.00 0.14 0.00 0.00 62.40 63.27 1s84 h SER 61 CO 0.64 0.34 -0.77 -0.13 -1.14 0.00 0.00 176.83 175.78 1s84 s ARG 62 N -5.05 0.75 -0.06 3.45 3.00 -1.26 -4.99 118.95 114.79 1s84 s ARG 62 Ca -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 55.73 55.55 1s84 s ARG 62 Cb 0.16 -0.78 0.03 0.00 0.00 0.00 0.00 34.95 34.36 1s84 s ARG 62 CO 0.73 -0.08 0.13 0.42 0.00 0.00 0.00 175.30 176.49 1s84 s ILE 63 N 0.91 -0.04 -0.24 1.52 1.01 -1.26 -4.83 121.20 118.27 1s84 s ILE 63 Ca -0.11 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 1s84 s ILE 63 Cb -0.14 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.07 1s84 s ILE 63 CO -0.00 0.06 0.16 -1.58 0.00 0.00 0.00 174.94 173.58 1s84 s GLN 64 N 0.90 4.07 -0.13 2.79 0.74 -0.31 -1.13 119.66 126.58 1s84 s GLN 64 Ca -0.07 -0.27 -0.18 0.00 0.05 0.00 0.00 55.36 54.89 1s84 s GLN 64 Cb -0.09 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1s84 s GLN 64 CO -0.04 0.05 0.47 0.08 -0.55 0.00 0.00 175.29 175.30 1s84 s VAL 65 N 1.10 5.19 -0.31 1.34 1.01 0.00 -0.96 120.40 127.77 1s84 s VAL 65 Ca 0.08 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 1s84 s VAL 65 Cb -0.14 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.49 1s84 s VAL 65 CO 0.05 0.32 0.01 -0.13 0.00 0.00 0.00 175.10 175.34 1s84 s ARG 66 N 0.70 2.31 0.24 2.72 0.52 0.02 -1.02 118.95 124.44 1s84 s ARG 66 Ca 0.25 -1.37 0.05 0.00 -0.52 0.00 0.00 55.73 54.15 1s84 s ARG 66 Cb -0.15 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.10 1s84 s ARG 66 CO 0.10 -0.68 0.32 -0.51 0.02 0.00 0.00 175.30 174.55 1s84 s LEU 67 N 1.20 4.20 -0.92 2.53 1.02 -0.07 -1.64 118.68 125.01 1s84 s LEU 67 Ca -0.03 -0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.11 1s84 s LEU 67 Cb -0.20 -2.74 0.00 0.00 0.02 0.00 0.00 46.19 43.27 1s84 s LEU 67 CO -0.02 -0.06 0.00 0.61 0.02 0.00 0.00 176.35 176.90 1s84 n GLY 69 N -1.31 0.90 3.86 -3.19 0.00 -1.26 -1.38 105.19 102.80 1s84 n GLY 69 Ca -0.09 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1s84 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s84 s GLU 70 N -3.03 3.94 0.08 1.61 0.41 -1.26 -3.58 118.70 116.86 1s84 s GLU 70 Ca 0.00 0.52 0.00 0.00 -0.41 0.00 0.00 54.97 55.08 1s84 s GLU 70 Cb 0.00 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 1s84 s GLU 70 CO 0.00 0.25 0.00 1.58 -0.49 0.00 0.00 175.26 176.60 1s84 n HIS 71 N -0.16 -0.31 -2.80 1.61 -0.00 -1.26 -4.62 115.22 107.68 1s84 n HIS 71 Ca 0.02 0.05 -0.43 0.00 -0.00 0.00 0.00 57.72 57.36 1s84 n HIS 71 Cb 0.53 0.12 -0.04 0.00 -0.00 0.00 0.00 29.99 30.59 1s84 n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1s84 s ASN 72 N -5.34 6.35 0.09 0.26 3.84 -1.26 -2.47 114.94 116.42 1s84 s ASN 72 Ca 0.00 -0.29 0.19 0.00 0.21 0.00 0.00 52.86 52.97 1s84 s ASN 72 Cb 0.00 -2.45 0.79 0.00 -0.55 0.00 0.00 41.25 39.04 1s84 s ASN 72 CO 0.00 -1.26 1.59 2.30 -2.79 0.00 0.00 177.10 176.94 1s84 n ILE 73 N 6.26 0.86 1.05 -5.21 -5.35 -0.58 -2.64 119.36 113.74 1s84 n ILE 73 Ca 0.03 0.21 0.12 0.00 -0.27 0.00 0.00 62.75 62.83 1s84 n ILE 73 Cb 0.48 -1.01 0.08 0.00 -1.74 0.00 0.00 39.64 37.45 1s84 n ILE 73 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s84 n ASP 74 N -1.78 2.05 -3.87 7.28 8.00 -1.26 -4.94 116.55 122.03 1s84 n ASP 74 Ca 0.03 -1.52 -0.17 0.00 0.71 0.00 0.00 54.79 53.85 1s84 n ASP 74 Cb 0.21 0.35 -0.16 0.00 -0.02 0.00 0.00 41.12 41.50 1s84 n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s84 s VAL 75 N -2.39 0.30 -0.52 2.53 1.01 -1.08 -5.10 120.40 115.14 1s84 s VAL 75 Ca 0.21 -0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 1s84 s VAL 75 Cb 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 36.38 36.23 1s84 s VAL 75 CO 0.52 0.14 1.64 -0.76 0.00 0.00 0.00 175.10 176.64 1s84 s LEU 76 N 0.64 3.39 0.01 3.92 1.43 -1.26 -4.66 118.68 122.16 1s84 s LEU 76 Ca -0.07 0.53 0.22 0.00 -1.03 0.00 0.00 54.13 53.78 1s84 s LEU 76 Cb -0.10 -3.00 -0.15 0.00 0.03 0.00 0.00 46.19 42.97 1s84 s LEU 76 CO -0.01 -1.91 0.83 -0.62 0.23 0.00 0.00 176.35 174.87 1s84 n GLU 77 N 8.76 0.32 0.00 1.70 1.02 -1.26 -5.00 120.64 126.19 1s84 n GLU 77 Ca 0.17 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1s84 n GLU 77 Cb 0.50 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1s84 n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s84 n GLY 78 N 1.37 0.97 0.37 0.62 0.00 -1.26 -4.97 105.19 102.29 1s84 n GLY 78 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1s84 n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s84 n ASN 79 N 0.00 1.68 -4.77 1.61 3.02 -1.26 -5.05 115.26 110.49 1s84 n ASN 79 Ca 0.00 -1.34 -0.37 0.00 -0.03 0.00 0.00 54.58 52.84 1s84 n ASN 79 Cb 0.00 0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1s84 n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1s84 s GLU 80 N -1.16 3.82 -0.12 3.52 8.01 -1.23 -4.41 118.70 127.13 1s84 s GLU 80 Ca 0.12 1.79 0.00 0.00 0.01 0.00 0.00 54.97 56.89 1s84 s GLU 80 Cb 0.09 -2.46 0.02 0.00 -4.31 0.00 0.00 34.13 27.47 1s84 s GLU 80 CO 0.20 -0.50 -0.10 -0.65 0.01 0.00 0.00 175.26 174.21 1s84 s GLN 81 N -2.61 1.80 -0.28 1.61 -0.21 -0.48 -4.97 119.66 114.52 1s84 s GLN 81 Ca 0.62 -0.37 -0.08 0.00 0.02 0.00 0.00 55.36 55.55 1s84 s GLN 81 Cb -0.29 -1.74 -0.02 0.00 1.00 0.00 0.00 33.01 31.95 1s84 s GLN 81 CO 0.36 -0.23 0.11 -0.06 -2.12 0.00 0.00 175.29 173.35 1s84 s PHE 82 N 1.53 3.14 -0.06 0.91 0.08 -1.26 -0.89 117.98 121.43 1s84 s PHE 82 Ca 0.03 -0.45 -0.01 0.00 0.12 0.00 0.00 56.93 56.61 1s84 s PHE 82 Cb -0.13 -2.29 0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1s84 s PHE 82 CO -0.08 -0.39 0.02 0.42 -0.10 0.00 0.00 175.22 175.10 1s84 s ILE 83 N 1.62 0.21 0.46 0.64 1.01 -0.19 -4.98 121.20 119.97 1s84 s ILE 83 Ca 0.06 0.22 -0.23 0.00 0.00 0.00 0.00 60.65 60.69 1s84 s ILE 83 Cb -0.16 -0.39 -0.07 0.00 0.01 0.00 0.00 42.46 41.85 1s84 s ILE 83 CO 0.05 0.23 1.21 0.20 0.00 0.00 0.00 174.94 176.63 1s84 s ASN 84 N 1.96 6.06 0.22 3.58 0.01 -1.26 -0.82 114.94 124.68 1s84 s ASN 84 Ca 0.04 2.42 -0.30 0.00 -0.71 0.00 0.00 52.86 54.31 1s84 s ASN 84 Cb -0.12 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.83 1s84 s ASN 84 CO -0.04 -1.00 1.41 0.00 -1.51 0.00 0.00 177.10 175.96 1s84 s ALA 85 N -1.46 3.61 -0.14 0.60 0.00 -0.29 -1.06 121.76 123.02 1s84 s ALA 85 Ca 0.64 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.86 1s84 s ALA 85 Cb -0.32 -3.54 -0.24 0.00 0.00 0.00 0.00 23.12 19.02 1s84 s ALA 85 CO 0.39 -0.68 0.29 0.00 0.00 0.00 0.00 175.76 175.75 1s84 n ALA 86 N 2.66 1.15 -2.84 0.00 0.00 0.44 -4.71 120.51 117.20 1s84 n ALA 86 Ca 0.07 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 1s84 n ALA 86 Cb 0.41 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 19.16 1s84 n ALA 86 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s84 s LYS 87 N -2.55 0.25 -0.20 0.00 1.02 -1.05 -5.00 119.74 112.20 1s84 s LYS 87 Ca -0.21 -0.22 -0.03 0.00 0.02 0.00 0.00 55.97 55.53 1s84 s LYS 87 Cb 0.07 -0.17 0.06 0.00 -0.52 0.00 0.00 37.83 37.28 1s84 s LYS 87 CO 0.75 0.04 0.05 0.42 -0.92 0.00 0.00 175.35 175.69 1s84 s ILE 88 N -0.37 0.49 -0.25 2.17 1.01 -1.26 -0.96 121.20 122.03 1s84 s ILE 88 Ca -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.05 1s84 s ILE 88 Cb -0.03 -1.05 0.06 0.00 0.01 0.00 0.00 42.46 41.46 1s84 s ILE 88 CO -0.00 -0.26 -0.07 -0.63 0.00 0.00 0.00 174.94 173.98 1s84 s ILE 89 N 1.87 1.85 0.45 2.92 1.01 -0.03 -5.00 121.20 124.27 1s84 s ILE 89 Ca 0.00 -1.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.01 1s84 s ILE 89 Cb -0.17 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 40.15 1s84 s ILE 89 CO -0.10 -0.10 0.93 0.42 0.00 0.00 0.00 174.94 176.09 1s84 s THR 90 N 1.24 4.51 0.23 2.92 -4.23 -1.26 -1.17 115.64 117.87 1s84 s THR 90 Ca -0.06 1.26 -0.32 0.00 -1.18 0.00 0.00 61.69 61.39 1s84 s THR 90 Cb -0.19 -3.66 -0.13 0.00 1.34 0.00 0.00 72.50 69.86 1s84 s THR 90 CO -0.06 -0.48 1.62 1.57 -0.54 0.00 0.00 174.62 176.73 1s84 n HIS 91 N -1.06 2.60 0.32 3.99 -0.00 -0.50 -4.86 115.22 115.72 1s84 n HIS 91 Ca 0.06 0.20 0.20 0.00 0.46 0.00 0.00 57.72 58.64 1s84 n HIS 91 Cb 0.54 -2.60 1.10 0.00 -0.12 0.00 0.00 29.99 28.91 1s84 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1s84 h PRO 92 N 5.70 0.00 -0.43 1.57 0.13 -1.93 -1.25 132.00 135.79 1s84 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1s84 h PRO 92 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1s84 h PRO 92 CO 0.87 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.73 1s84 n ASN 93 N -3.40 4.25 -4.67 1.44 5.03 -1.26 -4.98 115.26 111.67 1s84 n ASN 93 Ca -0.03 -2.67 -0.47 0.00 0.87 0.00 0.00 54.58 52.29 1s84 n ASN 93 Cb 0.08 -0.52 -0.04 0.00 -1.02 0.00 0.00 39.78 38.27 1s84 n ASN 93 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1s84 n PHE 94 N 0.30 2.25 -3.63 3.10 7.35 -0.47 -4.57 117.46 121.79 1s84 n PHE 94 Ca 0.22 0.24 -0.40 0.00 -0.76 0.00 0.00 57.45 56.75 1s84 n PHE 94 Cb 0.86 -2.56 -0.11 0.00 0.35 0.00 0.00 39.48 38.02 1s84 n PHE 94 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s84 s ASN 95 N 1.44 5.61 0.41 -2.13 3.84 -0.51 -4.98 114.94 118.63 1s84 s ASN 95 Ca 0.81 -1.26 0.29 0.00 0.21 0.00 0.00 52.86 52.91 1s84 s ASN 95 Cb -0.69 -1.98 1.46 0.00 -0.55 0.00 0.00 41.25 39.48 1s84 s ASN 95 CO 0.41 -0.45 1.87 1.23 -2.79 0.00 0.00 177.10 177.37 1s84 h GLY 96 N 8.38 0.00 0.00 1.21 0.00 -1.93 0.96 103.07 111.69 1s84 h GLY 96 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1s84 h GLY 96 CO 0.70 0.00 -0.33 -0.57 0.00 0.00 0.00 176.54 176.33 1s84 h ASN 97 N 0.00 0.00 1.58 0.19 -1.24 -1.97 -3.40 115.58 110.75 1s84 h ASN 97 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1s84 h ASN 97 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1s84 h ASN 97 CO 0.00 0.56 0.00 0.71 -1.29 0.00 0.00 177.43 177.41 1s84 h THR 98 N -0.79 0.00 -0.73 -3.57 1.35 -2.00 -3.47 112.91 103.70 1s84 h THR 98 Ca 0.00 -0.66 -0.29 0.00 -0.55 0.00 0.00 66.41 64.91 1s84 h THR 98 Cb 0.33 1.64 -0.11 0.00 -1.73 0.00 0.00 68.15 68.28 1s84 h THR 98 CO 0.00 0.00 -0.27 0.18 -0.25 0.00 0.00 175.52 175.18 1s84 n LEU 99 N -2.64 -1.06 -4.76 3.87 4.77 0.33 -5.02 117.00 112.49 1s84 n LEU 99 Ca 0.04 0.34 -0.39 0.00 -0.03 0.00 0.00 56.01 55.96 1s84 n LEU 99 Cb 0.44 -2.11 0.01 0.00 -2.33 0.00 0.00 43.42 39.44 1s84 n LEU 99 CO 0.31 -0.72 1.02 -0.62 -1.33 0.00 0.00 177.39 176.05 1s84 s ASP 100 N -2.83 5.91 -1.36 -1.43 2.15 -1.24 -2.80 116.67 115.07 1s84 s ASP 100 Ca 0.00 2.80 -0.05 0.00 0.43 0.00 0.00 52.55 55.73 1s84 s ASP 100 Cb 0.00 -2.65 0.03 0.00 -0.30 0.00 0.00 42.92 40.00 1s84 s ASP 100 CO 0.00 -1.14 0.88 0.59 -0.17 0.00 0.00 175.17 175.33 1s84 n ASN 101 N -0.24 -2.94 -3.92 -0.34 3.02 -1.26 -1.42 115.26 108.15 1s84 n ASN 101 Ca 0.06 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.44 1s84 n ASN 101 Cb 0.43 -4.28 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 1s84 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1s84 n ASP 102 N -3.00 3.72 -3.83 6.41 2.03 -1.12 -4.20 116.55 116.56 1s84 n ASP 102 Ca -0.16 -2.81 -0.12 0.00 0.52 0.00 0.00 54.79 52.21 1s84 n ASP 102 Cb 0.62 -1.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.34 1s84 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1s84 s ILE 103 N 4.31 0.02 0.08 5.18 2.07 -1.26 -3.78 121.20 127.81 1s84 s ILE 103 Ca 0.52 -0.19 -0.08 0.00 -1.41 0.00 0.00 60.65 59.50 1s84 s ILE 103 Cb 0.11 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 1s84 s ILE 103 CO 0.00 -0.10 0.16 0.00 -1.91 0.00 0.00 174.94 173.09 1s84 s MET 104 N -0.31 0.79 -0.08 3.50 0.23 -0.26 -1.41 119.30 121.76 1s84 s MET 104 Ca -0.04 -0.94 0.05 0.00 -1.03 0.00 0.00 55.69 53.73 1s84 s MET 104 Cb -0.03 0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 33.58 1s84 s MET 104 CO 0.01 -0.23 -0.23 -0.51 -2.03 0.00 0.00 175.02 172.02 1s84 s LEU 105 N -2.73 2.15 -0.21 0.18 1.43 -0.31 -1.18 118.68 118.01 1s84 s LEU 105 Ca 0.03 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1s84 s LEU 105 Cb 0.04 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.86 1s84 s LEU 105 CO -0.10 0.21 -0.11 -0.63 0.23 0.00 0.00 176.35 175.95 1s84 s ILE 106 N 0.07 2.75 -0.14 -0.59 1.01 0.28 -0.85 121.20 123.72 1s84 s ILE 106 Ca -0.10 -0.76 -0.20 0.00 0.00 0.00 0.00 60.65 59.59 1s84 s ILE 106 Cb -0.16 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1s84 s ILE 106 CO 0.06 0.44 0.56 -0.75 0.00 0.00 0.00 174.94 175.25 1s84 s LYS 107 N 1.38 4.30 0.37 2.79 2.20 -0.14 -0.78 119.74 129.86 1s84 s LYS 107 Ca 0.05 0.55 -0.25 0.00 -0.36 0.00 0.00 55.97 55.95 1s84 s LYS 107 Cb -0.14 -3.49 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1s84 s LYS 107 CO -0.08 -0.01 1.08 -0.51 -0.36 0.00 0.00 175.35 175.48 1s84 s LEU 108 N 1.14 4.24 0.50 5.43 1.43 0.05 -0.42 118.68 131.05 1s84 s LEU 108 Ca 0.28 2.14 0.25 0.00 -1.03 0.00 0.00 54.13 55.77 1s84 s LEU 108 Cb -0.16 -4.03 1.31 0.00 0.03 0.00 0.00 46.19 43.34 1s84 s LEU 108 CO 0.11 -0.44 2.02 0.77 0.23 0.00 0.00 176.35 179.04 1s84 h SER 109 N 2.82 0.00 -5.08 2.29 4.64 -1.38 -3.41 113.55 113.44 1s84 h SER 109 Ca -0.48 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 1s84 h SER 109 Cb 1.22 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.12 1s84 h SER 109 CO 0.63 0.15 -0.67 -0.94 -0.87 0.00 0.00 176.83 175.14 1s84 s SER 110 N -6.28 0.31 0.29 4.97 1.04 -1.26 -4.98 113.70 107.78 1s84 s SER 110 Ca -0.03 -0.66 -0.29 0.00 0.48 0.00 0.00 55.95 55.45 1s84 s SER 110 Cb 0.13 0.15 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 1s84 s SER 110 CO 0.61 -0.42 1.31 -2.84 0.98 0.00 0.00 173.24 172.88 1s84 s PRO 111 N -2.38 4.37 0.37 4.02 0.02 -1.26 -4.88 135.00 135.25 1s84 s PRO 111 Ca -0.07 2.16 -0.27 0.00 0.02 0.00 0.00 61.00 62.84 1s84 s PRO 111 Cb -0.03 -3.11 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 1s84 s PRO 111 CO -0.04 -0.21 1.32 0.00 -0.33 0.00 0.00 177.00 177.74 1s84 s ALA 112 N -0.69 3.40 -0.03 -1.55 0.00 0.43 -4.99 121.76 118.34 1s84 s ALA 112 Ca 0.52 1.28 -0.28 0.00 0.00 0.00 0.00 51.96 53.48 1s84 s ALA 112 Cb -0.39 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.21 1s84 s ALA 112 CO 0.47 -0.76 0.88 -0.08 0.00 0.00 0.00 175.76 176.27 1s84 s THR 113 N -1.19 4.93 -0.15 0.00 -1.32 -1.26 -4.81 115.64 111.83 1s84 s THR 113 Ca 0.53 1.85 -0.16 0.00 -1.21 0.00 0.00 61.69 62.70 1s84 s THR 113 Cb -0.40 -4.22 -0.04 0.00 -1.51 0.00 0.00 72.50 66.33 1s84 s THR 113 CO 0.52 0.18 0.38 -0.76 -2.21 0.00 0.00 174.62 172.73 1s84 s LEU 114 N 0.98 4.24 0.00 9.08 1.43 -1.26 -4.74 118.68 128.41 1s84 s LEU 114 Ca 0.47 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1s84 s LEU 114 Cb -0.20 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1s84 s LEU 114 CO 0.24 0.03 0.00 -0.46 0.23 0.00 0.00 176.35 176.39 1s84 n ASN 115 N 3.79 0.00 0.24 2.29 0.23 -0.07 -4.99 115.26 116.75 1s84 n ASN 115 Ca -0.09 -0.82 0.09 0.00 -0.53 0.00 0.00 54.58 53.23 1s84 n ASN 115 Cb 0.52 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.83 1s84 n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1s84 h SER 116 N 0.00 0.00 0.28 0.53 4.64 -1.99 -3.06 113.55 113.94 1s84 h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s84 h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s84 h SER 116 CO 0.00 0.17 -1.16 0.54 -0.87 0.00 0.00 176.83 175.51 1s84 n ARG 117 N -3.86 0.28 -3.66 4.77 5.12 -1.26 -4.76 116.66 113.29 1s84 n ARG 117 Ca -0.02 -0.03 -0.27 0.00 -1.93 0.00 0.00 57.85 55.60 1s84 n ARG 117 Cb 0.27 -1.56 -0.17 0.00 -1.16 0.00 0.00 32.46 29.84 1s84 n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1s84 s VAL 118 N -3.20 0.18 0.05 1.55 1.01 -1.16 -4.24 120.40 114.59 1s84 s VAL 118 Ca 0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 1s84 s VAL 118 Cb 0.15 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 1s84 s VAL 118 CO 0.83 -0.28 0.14 0.00 0.00 0.00 0.00 175.10 175.79 1s84 s ALA 119 N 2.01 -0.16 0.50 5.51 0.00 -0.89 -0.90 121.76 127.83 1s84 s ALA 119 Ca 0.01 -0.50 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 1s84 s ALA 119 Cb -0.16 0.29 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 1s84 s ALA 119 CO -0.10 -0.36 0.94 0.95 0.00 0.00 0.00 175.76 177.19 1s84 s THR 120 N -2.83 4.62 -0.02 0.00 -4.23 -1.26 -2.95 115.64 108.97 1s84 s THR 120 Ca -0.03 1.03 0.04 0.00 -1.18 0.00 0.00 61.69 61.55 1s84 s THR 120 Cb 0.00 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.07 1s84 s THR 120 CO -0.05 -0.72 -0.14 0.54 -0.54 0.00 0.00 174.62 173.71 1s84 s VAL 121 N -2.64 3.07 0.43 2.29 0.11 -0.51 -4.86 120.40 118.28 1s84 s VAL 121 Ca 0.57 -0.84 -0.25 0.00 -2.93 0.00 0.00 61.98 58.53 1s84 s VAL 121 Cb -0.10 -2.24 -0.08 0.00 -1.53 0.00 0.00 36.38 32.43 1s84 s VAL 121 CO 0.34 0.51 1.28 -0.44 -3.33 0.00 0.00 175.10 173.46 1s84 s SER 122 N -0.98 6.19 0.63 3.54 0.01 -1.22 -4.58 113.70 117.29 1s84 s SER 122 Ca 0.13 2.59 -0.15 0.00 1.31 0.00 0.00 55.95 59.83 1s84 s SER 122 Cb -0.11 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.48 1s84 s SER 122 CO 0.02 -0.93 1.08 -0.76 0.41 0.00 0.00 173.24 173.07 1s84 s LEU 123 N -2.65 3.43 0.30 2.44 1.43 -1.26 -1.05 118.68 121.33 1s84 s LEU 123 Ca 0.60 1.89 -0.28 0.00 -1.03 0.00 0.00 54.13 55.30 1s84 s LEU 123 Cb -0.36 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.22 1s84 s LEU 123 CO 0.46 -1.39 1.02 -2.16 0.23 0.00 0.00 176.35 174.51 1s84 s PRO 124 N -4.13 4.61 0.22 1.29 0.04 -1.26 -4.75 135.00 131.02 1s84 s PRO 124 Ca 0.65 1.59 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1s84 s PRO 124 Cb -0.18 -3.04 0.21 0.00 0.04 0.00 0.00 34.50 31.54 1s84 s PRO 124 CO 0.40 0.24 1.66 -0.09 0.04 0.00 0.00 177.00 179.25 1s84 h ARG 125 N 3.57 0.80 -3.36 4.56 2.43 -1.95 -3.48 114.38 116.95 1s84 h ARG 125 Ca -0.47 -0.29 -0.10 0.00 -0.81 0.00 0.00 59.98 58.31 1s84 h ARG 125 Cb 1.21 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1s84 h ARG 125 CO 0.66 0.91 0.13 0.45 -1.51 0.00 0.00 179.97 180.61 1s84 s SER 127 N -6.72 0.31 0.37 -3.80 0.15 -1.26 -5.16 113.70 97.60 1s84 s SER 127 Ca -0.09 -1.27 -0.25 0.00 0.70 0.00 0.00 55.95 55.04 1s84 s SER 127 Cb 0.13 0.80 -0.09 0.00 -1.71 0.00 0.00 66.02 65.15 1s84 s SER 127 CO 0.83 -1.58 1.02 0.00 1.20 0.00 0.00 173.24 174.71 1s84 s ALA 129 N -1.64 3.43 0.54 0.00 0.00 -1.26 -5.01 121.76 117.82 1s84 s ALA 129 Ca 0.55 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 53.29 1s84 s ALA 129 Cb -0.21 -3.38 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 1s84 s ALA 129 CO 0.27 -0.30 1.15 0.00 0.00 0.00 0.00 175.76 176.87 1s84 s ALA 130 N -0.84 2.69 0.26 0.00 0.00 -1.26 -4.96 121.76 117.65 1s84 s ALA 130 Ca 0.48 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 53.01 1s84 s ALA 130 Cb -0.34 -3.38 -0.13 0.00 0.00 0.00 0.00 23.12 19.27 1s84 s ALA 130 CO 0.42 -0.84 1.40 0.00 0.00 0.00 0.00 175.76 176.74 1s84 n ALA 132 N -1.27 1.25 -0.47 0.00 0.00 -1.26 -1.79 120.51 116.96 1s84 n ALA 132 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1s84 n ALA 132 Cb 0.50 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1s84 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s84 n GLY 133 N 1.88 1.12 3.72 0.00 0.00 0.66 -4.97 105.19 107.60 1s84 n GLY 133 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1s84 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s84 s THR 134 N -3.11 2.52 0.09 2.61 2.01 -0.74 -4.69 115.64 114.32 1s84 s THR 134 Ca 0.00 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1s84 s THR 134 Cb 0.00 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 1s84 s THR 134 CO 0.00 0.03 1.10 -1.61 -0.69 0.00 0.00 174.62 173.45 1s84 s GLU 135 N 1.09 4.54 0.28 4.92 0.41 -1.26 -1.43 118.70 127.25 1s84 s GLU 135 Ca 0.70 1.64 0.05 0.00 -0.41 0.00 0.00 54.97 56.96 1s84 s GLU 135 Cb -0.45 -3.35 -0.06 0.00 -1.78 0.00 0.00 34.13 28.49 1s84 s GLU 135 CO 0.32 -0.06 -0.01 0.00 -0.49 0.00 0.00 175.26 175.01 1s84 s LEU 137 N -3.43 2.40 -0.10 0.00 2.96 0.36 -1.01 118.68 119.87 1s84 s LEU 137 Ca 0.31 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1s84 s LEU 137 Cb 0.06 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 1s84 s LEU 137 CO 0.12 0.04 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.50 1s84 s ILE 138 N 1.06 3.76 0.07 6.68 1.01 -0.07 -1.63 121.20 132.07 1s84 s ILE 138 Ca -0.01 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 1s84 s ILE 138 Cb -0.14 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1s84 s ILE 138 CO -0.05 0.57 0.06 -0.94 0.00 0.00 0.00 174.94 174.58 1s84 s SER 139 N -0.44 0.34 0.00 3.58 1.04 -1.21 -0.81 113.70 116.21 1s84 s SER 139 Ca 0.07 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1s84 s SER 139 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1s84 s SER 139 CO 0.02 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1s84 n GLY 140 N 0.04 0.03 1.73 7.32 0.00 -0.70 -4.34 105.19 109.27 1s84 n GLY 140 Ca -0.14 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.63 1s84 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1s84 n TRP 141 N -0.80 2.10 -1.66 1.61 8.01 -1.26 -1.65 117.44 123.80 1s84 n TRP 141 Ca 0.00 -1.34 -0.27 0.00 -1.31 0.00 0.00 57.50 54.58 1s84 n TRP 141 Cb 0.00 -0.64 0.20 0.00 -2.01 0.00 0.00 31.31 28.85 1s84 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1s84 n GLY 142 N -0.54 -1.77 3.66 6.99 0.00 -1.25 -4.27 105.19 108.01 1s84 n GLY 142 Ca 0.40 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 44.30 1s84 n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1s84 n ASN 143 N -4.01 2.96 -0.73 1.61 5.15 0.15 -3.31 115.26 117.09 1s84 n ASN 143 Ca 0.15 1.09 0.12 0.00 -0.60 0.00 0.00 54.58 55.34 1s84 n ASN 143 Cb 0.53 -1.41 0.17 0.00 -0.53 0.00 0.00 39.78 38.55 1s84 n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1s84 n THR 144 N 3.27 0.00 -4.82 -0.44 -2.24 -0.30 -1.35 114.28 108.38 1s84 n THR 144 Ca 0.17 -0.38 -0.33 0.00 -2.27 0.00 0.00 64.05 61.24 1s84 n THR 144 Cb 0.28 1.20 -0.14 0.00 -2.10 0.00 0.00 70.33 69.57 1s84 n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1s84 s LYS 145 N -2.14 2.94 0.14 -0.78 1.02 -1.26 -4.50 119.74 115.16 1s84 s LYS 145 Ca 0.27 -0.68 0.05 0.00 0.02 0.00 0.00 55.97 55.63 1s84 s LYS 145 Cb 0.20 -2.51 -0.12 0.00 -0.52 0.00 0.00 37.83 34.88 1s84 s LYS 145 CO 0.38 0.43 1.31 0.66 -0.92 0.00 0.00 175.35 177.21 1s84 h SER 146 N 5.99 0.11 -3.48 2.83 4.64 -1.92 -3.42 113.55 118.30 1s84 h SER 146 Ca -0.37 -0.11 -0.71 0.00 -0.47 0.00 0.00 61.79 60.14 1s84 h SER 146 Cb 1.18 -0.04 -0.31 0.00 -0.31 0.00 0.00 62.40 62.93 1s84 h SER 146 CO 0.53 1.01 -0.51 -0.55 -0.87 0.00 0.00 176.83 176.44 1s84 s SER 147 N -6.83 5.44 0.00 4.97 0.15 -1.26 -4.99 113.70 111.18 1s84 s SER 147 Ca -0.01 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 54.97 1s84 s SER 147 Cb 0.10 -1.91 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1s84 s SER 147 CO 0.82 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1s84 n GLY 148 N 4.78 -0.63 3.08 9.45 0.00 -1.26 -4.97 105.19 115.64 1s84 n GLY 148 Ca -0.08 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 1s84 n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s84 s SER 149 N -4.00 -0.06 -0.15 1.61 1.04 -1.26 -4.68 113.70 106.20 1s84 s SER 149 Ca 0.00 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 1s84 s SER 149 Cb 0.00 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.43 1s84 s SER 149 CO 0.00 -0.24 0.36 -0.55 0.98 0.00 0.00 173.24 173.79 1s84 s SER 150 N -0.76 -0.44 -0.21 7.02 0.15 -1.26 -4.93 113.70 113.26 1s84 s SER 150 Ca -0.08 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 57.29 1s84 s SER 150 Cb -0.05 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1s84 s SER 150 CO 0.01 -0.18 0.02 -0.31 1.20 0.00 0.00 173.24 173.97 1s84 s TYR 151 N 1.36 3.06 0.37 3.44 1.51 -1.26 -1.15 117.35 124.67 1s84 s TYR 151 Ca -0.09 -0.46 -0.20 0.00 -1.01 0.00 0.00 57.07 55.31 1s84 s TYR 151 Cb -0.09 -2.13 -0.10 0.00 -0.11 0.00 0.00 41.96 39.53 1s84 s TYR 151 CO -0.11 -0.27 0.87 -1.25 -1.11 0.00 0.00 175.55 173.67 1s84 s PRO 152 N 1.17 4.22 0.23 -1.71 0.04 -1.26 -4.97 135.00 132.71 1s84 s PRO 152 Ca 0.03 1.01 0.05 0.00 0.04 0.00 0.00 61.00 62.12 1s84 s PRO 152 Cb -0.14 -2.39 0.23 0.00 0.04 0.00 0.00 34.50 32.24 1s84 s PRO 152 CO 0.02 0.10 1.55 0.77 0.04 0.00 0.00 177.00 179.47 1s84 h SER 153 N 2.30 0.26 -3.01 6.66 0.02 -1.93 -3.47 113.55 114.37 1s84 h SER 153 Ca -0.48 -0.15 -0.67 0.00 -0.84 0.00 0.00 61.79 59.65 1s84 h SER 153 Cb 1.18 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 63.54 1s84 h SER 153 CO 0.63 0.82 -0.56 -0.76 -1.14 0.00 0.00 176.83 175.82 1s84 s LEU 154 N -7.87 3.98 0.19 5.07 1.43 -1.26 -1.53 118.68 118.69 1s84 s LEU 154 Ca -0.04 0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 53.01 1s84 s LEU 154 Cb 0.12 -2.06 -0.12 0.00 0.03 0.00 0.00 46.19 44.16 1s84 s LEU 154 CO 0.80 0.36 1.75 -0.11 0.23 0.00 0.00 176.35 179.37 1s84 n LEU 155 N 1.78 4.02 -4.80 1.79 7.94 -1.03 -4.82 117.00 121.86 1s84 n LEU 155 Ca -0.17 1.05 -0.29 0.00 -1.11 0.00 0.00 56.01 55.49 1s84 n LEU 155 Cb 0.54 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 1s84 n LEU 155 CO 0.33 0.19 -0.23 -1.10 -1.11 0.00 0.00 177.39 175.46 1s84 s GLN 156 N 1.47 2.97 0.04 1.96 -1.52 -0.66 -1.36 119.66 122.56 1s84 s GLN 156 Ca 0.76 -0.72 0.03 0.00 -1.95 0.00 0.00 55.36 53.49 1s84 s GLN 156 Cb -0.50 -2.74 -0.02 0.00 -0.22 0.00 0.00 33.01 29.53 1s84 s GLN 156 CO 0.33 0.54 -0.10 0.00 -0.25 0.00 0.00 175.29 175.81 1s84 s LEU 158 N -1.37 -0.21 -0.00 0.00 2.96 0.01 -0.97 118.68 119.09 1s84 s LEU 158 Ca -0.05 0.73 -0.30 0.00 -0.22 0.00 0.00 54.13 54.29 1s84 s LEU 158 Cb -0.09 0.98 -0.03 0.00 0.50 0.00 0.00 46.19 47.55 1s84 s LEU 158 CO 0.01 -0.22 0.99 -0.54 -1.32 0.00 0.00 176.35 175.28 1s84 s LYS 159 N 2.06 4.54 -0.07 1.98 -0.14 -1.26 -0.89 119.74 125.97 1s84 s LYS 159 Ca -0.03 1.43 -0.25 0.00 -1.36 0.00 0.00 55.97 55.76 1s84 s LYS 159 Cb -0.11 -3.46 0.06 0.00 -1.68 0.00 0.00 37.83 32.63 1s84 s LYS 159 CO -0.10 -0.08 0.56 0.00 -0.76 0.00 0.00 175.35 174.97 1s84 s ALA 160 N 1.08 -1.45 0.20 5.17 0.00 -0.18 -4.98 121.76 121.61 1s84 s ALA 160 Ca 0.52 1.11 -0.09 0.00 0.00 0.00 0.00 51.96 53.50 1s84 s ALA 160 Cb -0.21 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 1s84 s ALA 160 CO 0.27 -0.33 0.51 -1.25 0.00 0.00 0.00 175.76 174.97 1s84 s PRO 161 N -0.98 3.77 0.19 0.00 0.04 -1.26 -0.54 135.00 136.22 1s84 s PRO 161 Ca -0.10 0.21 -0.32 0.00 0.04 0.00 0.00 61.00 60.83 1s84 s PRO 161 Cb -0.02 -2.71 -0.11 0.00 0.04 0.00 0.00 34.50 31.70 1s84 s PRO 161 CO 0.07 0.36 1.64 0.08 0.04 0.00 0.00 177.00 179.19 1s84 s VAL 162 N -1.76 2.34 0.28 -0.36 1.01 -0.51 -1.69 120.40 119.71 1s84 s VAL 162 Ca 0.45 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 1s84 s VAL 162 Cb -0.12 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1s84 s VAL 162 CO 0.22 0.02 0.54 -0.76 0.00 0.00 0.00 175.10 175.12 1s84 s LEU 163 N 1.09 4.08 0.62 3.92 1.43 -0.08 -0.25 118.68 129.50 1s84 s LEU 163 Ca 0.72 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 54.36 1s84 s LEU 163 Cb -0.46 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 1s84 s LEU 163 CO 0.32 -0.17 1.25 -0.94 0.23 0.00 0.00 176.35 177.04 1s84 s SER 164 N -3.06 4.88 0.37 2.29 1.04 -1.26 -4.59 113.70 113.37 1s84 s SER 164 Ca 0.44 2.52 0.04 0.00 0.48 0.00 0.00 55.95 59.42 1s84 s SER 164 Cb -0.11 -2.61 0.70 0.00 0.10 0.00 0.00 66.02 64.11 1s84 s SER 164 CO 0.29 -1.81 2.02 -0.78 0.98 0.00 0.00 173.24 173.94 1s84 h ASP 165 N 0.71 0.63 0.14 7.02 -0.00 -1.98 -0.89 116.42 122.06 1s84 h ASP 165 Ca -0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 56.49 1s84 h ASP 165 Cb 1.32 -0.16 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 1s84 h ASP 165 CO 0.54 0.47 -0.07 0.77 -0.00 0.00 0.00 179.24 180.96 1s84 h SER 166 N 0.74 -0.16 -0.66 2.28 4.64 -1.98 -0.50 113.55 117.92 1s84 h SER 166 Ca 0.20 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1s84 h SER 166 Cb -0.06 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 1s84 h SER 166 CO -0.04 -0.06 0.42 0.28 -0.87 0.00 0.00 176.83 176.56 1s84 h SER 167 N -0.25 0.77 -0.30 4.97 0.02 -1.83 -0.06 113.55 116.88 1s84 h SER 167 Ca -0.02 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1s84 h SER 167 Cb 0.20 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1s84 h SER 167 CO 0.03 0.58 0.13 0.00 -1.14 0.00 0.00 176.83 176.43 1s84 h LYS 169 N 0.28 0.10 0.00 0.00 1.57 -0.73 -2.67 116.57 115.12 1s84 h LYS 169 Ca 0.13 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 1s84 h LYS 169 Cb 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1s84 h LYS 169 CO -0.11 0.64 -0.45 0.66 -0.57 0.00 0.00 179.45 179.62 1s84 h SER 170 N 0.08 0.00 0.66 0.86 4.64 -0.72 -2.55 113.55 116.52 1s84 h SER 170 Ca -0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1s84 h SER 170 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1s84 h SER 170 CO 0.08 0.45 -0.70 0.28 -0.87 0.00 0.00 176.83 176.07 1s84 h SER 171 N 0.00 0.04 -2.15 4.97 0.02 -1.12 -3.39 113.55 111.92 1s84 h SER 171 Ca -0.00 -0.03 -0.58 0.00 -0.84 0.00 0.00 61.79 60.34 1s84 h SER 171 Cb 1.01 -0.01 -0.40 0.00 0.14 0.00 0.00 62.40 63.14 1s84 h SER 171 CO 0.06 0.73 -0.97 -1.22 -1.14 0.00 0.00 176.83 174.29 1s84 n TYR 172 N -3.72 0.44 -1.66 3.45 4.02 -1.03 -4.87 117.16 113.80 1s84 n TYR 172 Ca -0.01 -3.66 -0.50 0.00 -0.01 0.00 0.00 57.90 53.72 1s84 n TYR 172 Cb 0.69 -0.30 -0.05 0.00 -0.02 0.00 0.00 39.34 39.65 1s84 n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1s84 n PRO 173 N 1.57 1.79 -0.89 -0.72 -0.02 -0.98 -1.79 135.00 133.96 1s84 n PRO 173 Ca 0.24 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1s84 n PRO 173 Cb 0.49 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1s84 n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s84 n GLY 174 N 3.59 0.64 0.00 -1.23 0.00 -1.26 -4.85 105.19 102.08 1s84 n GLY 174 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 1s84 n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s84 n GLN 175 N -1.97 2.07 -3.47 1.61 1.13 -0.74 -4.93 117.38 111.08 1s84 n GLN 175 Ca 0.00 -0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.61 1s84 n GLN 175 Cb 0.03 -1.17 -0.10 0.00 0.11 0.00 0.00 30.24 29.11 1s84 n GLN 175 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1s84 s ILE 176 N -2.42 5.24 0.78 5.09 -1.09 -1.25 -5.06 121.20 122.48 1s84 s ILE 176 Ca 0.02 -0.28 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 1s84 s ILE 176 Cb 0.09 -3.82 0.10 0.00 -1.58 0.00 0.00 42.46 37.26 1s84 s ILE 176 CO 0.53 -0.14 1.10 0.42 -1.23 0.00 0.00 174.94 175.62 1s84 s THR 177 N 1.81 2.16 -0.99 2.92 -4.23 -1.26 -4.96 115.64 111.09 1s84 s THR 177 Ca 0.08 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.39 1s84 s THR 177 Cb -0.18 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.75 1s84 s THR 177 CO 0.11 0.00 1.09 0.61 -0.54 0.00 0.00 174.62 175.89 1s84 n GLY 178 N -3.15 -0.59 1.36 3.99 0.00 -1.26 -2.66 105.19 102.88 1s84 n GLY 178 Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.21 1s84 n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s84 n ASN 179 N -1.51 4.31 -4.09 1.61 3.02 -1.26 -4.92 115.26 112.43 1s84 n ASN 179 Ca 0.01 -2.35 -0.20 0.00 -0.03 0.00 0.00 54.58 52.00 1s84 n ASN 179 Cb 0.03 -0.51 -0.14 0.00 -0.61 0.00 0.00 39.78 38.54 1s84 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1s84 s MET 180 N -1.66 0.91 0.11 3.52 -1.94 -1.09 -1.09 119.30 118.07 1s84 s MET 180 Ca 0.46 -0.54 0.05 0.00 -1.71 0.00 0.00 55.69 53.96 1s84 s MET 180 Cb 0.29 -0.88 -0.04 0.00 2.01 0.00 0.00 34.83 36.21 1s84 s MET 180 CO 0.24 0.23 -0.12 0.96 -0.01 0.00 0.00 175.02 176.32 1s84 s ILE 181 N -0.51 1.17 -0.11 2.53 -4.36 -0.00 -4.78 121.20 115.14 1s84 s ILE 181 Ca 0.03 -1.68 -0.05 0.00 -0.26 0.00 0.00 60.65 58.68 1s84 s ILE 181 Cb -0.06 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.16 1s84 s ILE 181 CO 0.00 -0.48 0.09 0.00 0.24 0.00 0.00 174.94 174.80 1s84 s VAL 183 N -0.96 0.04 -1.83 0.00 1.01 -1.01 -0.90 120.40 116.74 1s84 s VAL 183 Ca 0.14 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1s84 s VAL 183 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1s84 s VAL 183 CO 0.03 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1s84 n GLY 184 N 4.10 0.40 2.69 4.51 0.00 -0.68 -3.53 105.19 112.68 1s84 n GLY 184 Ca -0.27 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 1s84 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s84 s PHE 184 N -4.00 0.31 0.33 1.61 0.40 -1.26 -4.29 117.98 111.08 1s84 s PHE 184 Ca 0.00 -0.05 0.27 0.00 -0.60 0.00 0.00 56.93 56.55 1s84 s PHE 184 Cb 0.00 -0.64 1.33 0.00 0.51 0.00 0.00 43.02 44.21 1s84 s PHE 184 CO 0.00 -0.32 2.01 -0.07 0.70 0.00 0.00 175.22 177.54 1s84 h LEU 185 N 8.39 0.00 -1.73 -0.37 3.38 -1.95 -2.57 115.31 120.47 1s84 h LEU 185 Ca -0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1s84 h LEU 185 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1s84 h LEU 185 CO 0.22 0.14 -0.08 1.05 0.09 0.00 0.00 178.44 179.86 1s84 h GLU 186 N 0.00 0.00 0.00 1.13 4.11 -1.96 0.17 114.58 118.04 1s84 h GLU 186 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1s84 h GLU 186 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1s84 h GLU 186 CO 0.02 0.08 0.00 0.41 0.07 0.00 0.00 179.01 179.59 1s84 n GLY 187 N -0.29 0.77 1.55 1.06 0.00 -0.97 -4.34 105.19 102.97 1s84 n GLY 187 Ca -0.01 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1s84 n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s84 n GLY 188 N 0.90 2.18 2.66 -0.02 0.00 -0.12 -4.94 105.19 105.85 1s84 n GLY 188 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1s84 n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s84 s LYS 188 N -0.55 0.30 0.15 1.61 1.02 -1.26 -3.56 119.74 117.46 1s84 s LYS 188 Ca 0.00 -0.23 -0.24 0.00 0.02 0.00 0.00 55.97 55.51 1s84 s LYS 188 Cb 0.00 -1.93 0.06 0.00 -0.52 0.00 0.00 37.83 35.44 1s84 s LYS 188 CO 0.00 -0.67 0.80 0.34 -0.92 0.00 0.00 175.35 174.91 1s84 s ASP 189 N 2.02 -0.33 0.50 2.83 -1.08 -0.76 -4.26 116.67 115.60 1s84 s ASP 189 Ca 0.01 -0.27 -0.11 0.00 -0.52 0.00 0.00 52.55 51.65 1s84 s ASP 189 Cb -0.16 0.55 -0.06 0.00 -1.46 0.00 0.00 42.92 41.79 1s84 s ASP 189 CO -0.09 -0.97 0.89 -0.94 0.52 0.00 0.00 175.17 174.59 1s84 s SER 190 N -2.79 6.43 0.29 -0.34 1.04 -1.26 -0.74 113.70 116.33 1s84 s SER 190 Ca 0.08 1.28 0.02 0.00 0.48 0.00 0.00 55.95 57.81 1s84 s SER 190 Cb -0.02 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1s84 s SER 190 CO -0.03 -0.60 0.29 0.00 0.98 0.00 0.00 173.24 173.88 1s84 n GLN 192 N -0.51 0.00 0.00 0.00 7.27 -1.26 -1.26 117.38 121.63 1s84 n GLN 192 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1s84 n GLN 192 Cb 0.63 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 31.84 1s84 n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s84 n GLY 193 N 3.41 0.64 0.11 1.69 0.00 -1.26 -0.67 105.19 109.10 1s84 n GLY 193 Ca 0.28 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1s84 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1s84 h ASP 194 N 0.00 0.00 -2.33 1.61 3.32 -1.49 -3.32 116.42 114.22 1s84 h ASP 194 Ca 0.00 -0.06 -0.61 0.00 0.02 0.00 0.00 57.03 56.38 1s84 h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1s84 h ASP 194 CO 0.00 0.03 0.12 -1.20 -1.72 0.00 0.00 179.24 176.47 1s84 n SER 195 N -2.32 1.19 0.00 6.45 7.64 -1.26 -1.58 113.62 123.74 1s84 n SER 195 Ca 0.05 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1s84 n SER 195 Cb 0.45 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1s84 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s84 n GLY 196 N 1.38 2.43 3.93 0.23 0.00 -0.02 -0.70 105.19 112.44 1s84 n GLY 196 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1s84 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s84 s GLY 197 N -1.88 1.73 0.34 -0.02 0.00 -0.61 -3.31 107.32 103.57 1s84 s GLY 197 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 44.72 43.36 1s84 s GLY 197 CO 0.00 -0.49 0.90 2.56 0.00 0.00 0.00 173.10 176.07 1s84 s PRO 198 N -5.66 4.37 -0.24 2.90 0.04 -1.26 -1.49 135.00 133.66 1s84 s PRO 198 Ca 0.69 1.14 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1s84 s PRO 198 Cb -0.06 -2.58 0.04 0.00 0.04 0.00 0.00 34.50 31.94 1s84 s PRO 198 CO 0.50 0.19 -0.12 0.08 0.04 0.00 0.00 177.00 177.69 1s84 s VAL 199 N -1.82 2.33 -0.12 -0.36 1.01 -0.29 -3.30 120.40 117.85 1s84 s VAL 199 Ca 0.53 -1.31 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1s84 s VAL 199 Cb -0.14 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.01 1s84 s VAL 199 CO 0.19 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 174.56 1s84 s VAL 200 N 1.20 2.29 -0.07 2.92 1.01 -0.65 -0.92 120.40 126.18 1s84 s VAL 200 Ca -0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1s84 s VAL 200 Cb -0.17 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1s84 s VAL 200 CO -0.07 0.55 -0.04 0.00 0.00 0.00 0.00 175.10 175.53 1s84 n ASN 202 N 4.56 -2.75 -0.34 0.00 3.02 -1.26 -1.58 115.26 116.90 1s84 n ASN 202 Ca -0.16 -0.99 -0.04 0.00 -0.03 0.00 0.00 54.58 53.35 1s84 n ASN 202 Cb 0.50 -2.94 -0.02 0.00 -0.61 0.00 0.00 39.78 36.72 1s84 n ASN 202 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s84 n GLY 203 N -1.58 0.70 3.13 7.41 0.00 -1.26 -5.01 105.19 108.58 1s84 n GLY 203 Ca -0.02 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1s84 n GLY 203 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s84 s GLN 204 N -1.88 1.71 -0.40 1.61 -0.21 -0.62 -3.41 119.66 116.45 1s84 s GLN 204 Ca 0.00 -0.59 -0.29 0.00 0.02 0.00 0.00 55.36 54.50 1s84 s GLN 204 Cb 0.00 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.51 1s84 s GLN 204 CO 0.00 0.25 1.51 -1.17 -2.12 0.00 0.00 175.29 173.75 1s84 s LEU 209 N 0.01 3.55 -0.01 2.90 2.96 -0.21 -1.20 118.68 126.68 1s84 s LEU 209 Ca -0.03 0.90 0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1s84 s LEU 209 Cb -0.11 -3.50 -0.16 0.00 0.50 0.00 0.00 46.19 42.93 1s84 s LEU 209 CO 0.02 -1.52 0.29 0.00 -1.32 0.00 0.00 176.35 173.81 1s84 n GLN 210 N 8.21 1.07 -3.90 1.98 1.13 -0.10 -3.98 117.38 121.79 1s84 n GLN 210 Ca 0.18 -0.08 -0.10 0.00 -1.94 0.00 0.00 57.00 55.06 1s84 n GLN 210 Cb 0.48 -1.20 -0.10 0.00 0.11 0.00 0.00 30.24 29.53 1s84 n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1s84 s GLY 211 N -2.96 0.10 -0.09 1.08 0.00 -0.98 -2.35 107.32 102.12 1s84 s GLY 211 Ca -0.02 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.42 1s84 s GLY 211 CO 0.45 -0.45 -0.19 -0.42 0.00 0.00 0.00 173.10 172.49 1s84 s ILE 212 N -1.83 1.70 -0.05 0.90 1.01 -1.06 -1.14 121.20 120.72 1s84 s ILE 212 Ca -0.11 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 1s84 s ILE 212 Cb -0.06 -1.49 -0.10 0.00 0.01 0.00 0.00 42.46 40.83 1s84 s ILE 212 CO -0.01 0.48 1.99 0.52 0.00 0.00 0.00 174.94 177.92 1s84 n VAL 213 N 3.69 0.64 0.01 2.92 0.31 -0.56 -1.27 118.33 124.08 1s84 n VAL 213 Ca -0.20 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1s84 n VAL 213 Cb 0.52 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 1s84 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1s84 n SER 214 N 7.84 0.13 -3.23 4.52 2.88 -1.00 -0.84 113.62 123.93 1s84 n SER 214 Ca 0.23 0.02 -0.10 0.00 -1.33 0.00 0.00 58.87 57.69 1s84 n SER 214 Cb 0.37 -0.04 -0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1s84 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1s84 s TRP 215 N -1.12 0.29 0.05 0.66 1.48 -0.77 -4.93 118.94 114.60 1s84 s TRP 215 Ca 0.00 -0.81 -0.28 0.00 -1.06 0.00 0.00 56.10 53.95 1s84 s TRP 215 Cb 0.00 0.58 0.10 0.00 -1.16 0.00 0.00 33.47 32.99 1s84 s TRP 215 CO 0.00 -1.38 1.17 0.20 -4.06 0.00 0.00 176.95 172.88 1s84 s GLY 216 N -3.08 -0.29 -0.79 3.67 0.00 -1.26 -0.54 107.32 105.03 1s84 s GLY 216 Ca 0.18 0.38 -0.24 0.00 0.00 0.00 0.00 44.72 45.05 1s84 s GLY 216 CO 0.12 0.75 1.20 -0.47 0.00 0.00 0.00 173.10 174.71 1s84 s TYR 217 N -2.61 2.55 0.00 1.90 5.04 -1.26 -4.82 117.35 118.15 1s84 s TYR 217 Ca 0.16 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 1s84 s TYR 217 Cb 0.02 -4.50 0.00 0.00 0.35 0.00 0.00 41.96 37.83 1s84 s TYR 217 CO -0.01 -1.85 0.00 0.41 -1.34 0.00 0.00 175.55 172.76 1s84 n GLY 219 N 5.68 1.39 3.05 8.97 0.00 -1.26 -4.69 105.19 118.33 1s84 n GLY 219 Ca 0.09 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1s84 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s84 n ALA 221 N 1.91 -0.11 -1.70 0.00 0.00 -1.26 -4.90 120.51 114.45 1s84 n ALA 221 Ca -0.20 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1s84 n ALA 221 Cb 0.56 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1s84 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1s84 s GLN 221 N -2.47 3.40 0.26 0.00 -0.21 -1.26 -0.94 119.66 118.43 1s84 s GLN 221 Ca 0.00 1.29 -0.31 0.00 0.02 0.00 0.00 55.36 56.36 1s84 s GLN 221 Cb 0.00 -2.04 -0.13 0.00 1.00 0.00 0.00 33.01 31.85 1s84 s GLN 221 CO 0.00 -0.75 1.53 1.17 -2.12 0.00 0.00 175.29 175.12 1s84 n LYS 222 N -1.73 2.41 -1.68 2.91 4.81 -1.26 -2.50 118.16 121.11 1s84 n LYS 222 Ca 0.09 0.86 -0.20 0.00 -0.87 0.00 0.00 58.31 58.19 1s84 n LYS 222 Cb 0.53 -2.60 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 1s84 n LYS 222 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1s84 n ASN 223 N 2.41 -5.29 -3.28 3.14 4.05 0.61 -4.89 115.26 112.00 1s84 n ASN 223 Ca 0.11 0.43 -0.25 0.00 0.45 0.00 0.00 54.58 55.32 1s84 n ASN 223 Cb 0.34 -4.66 -0.07 0.00 1.23 0.00 0.00 39.78 36.62 1s84 n ASN 223 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1s84 n LYS 224 N -2.40 1.46 -1.12 1.20 4.76 -1.04 -4.61 118.16 116.40 1s84 n LYS 224 Ca -0.20 -3.82 -0.31 0.00 -2.87 0.00 0.00 58.31 51.11 1s84 n LYS 224 Cb 0.66 -1.64 0.11 0.00 -1.84 0.00 0.00 35.03 32.31 1s84 n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1s84 s PRO 225 N -1.74 1.89 0.50 1.97 0.04 -1.26 -4.36 135.00 132.04 1s84 s PRO 225 Ca 0.37 1.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 1s84 s PRO 225 Cb 0.17 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.79 1s84 s PRO 225 CO -0.07 -1.92 1.41 0.41 0.04 0.00 0.00 177.00 176.87 1s84 n GLY 226 N -0.88 0.93 3.55 0.56 0.00 -1.23 -4.74 105.19 103.38 1s84 n GLY 226 Ca 0.09 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1s84 n GLY 226 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s84 s VAL 227 N -1.24 3.71 0.01 1.61 1.01 0.30 -2.41 120.40 123.39 1s84 s VAL 227 Ca 0.66 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1s84 s VAL 227 Cb -0.43 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 1s84 s VAL 227 CO 0.53 0.57 -0.05 -0.31 0.00 0.00 0.00 175.10 175.85 1s84 s TYR 228 N -0.45 0.41 0.18 5.22 1.51 0.35 -1.85 117.35 122.73 1s84 s TYR 228 Ca 0.07 -0.16 -0.31 0.00 -1.01 0.00 0.00 57.07 55.65 1s84 s TYR 228 Cb -0.12 -0.26 -0.10 0.00 -0.11 0.00 0.00 41.96 41.36 1s84 s TYR 228 CO 0.02 -0.03 1.57 0.99 -1.11 0.00 0.00 175.55 176.99 1s84 s THR 229 N -0.37 2.56 -0.99 -0.71 2.01 -0.40 -0.82 115.64 116.92 1s84 s THR 229 Ca -0.01 0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.18 1s84 s THR 229 Cb -0.03 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.27 1s84 s THR 229 CO -0.00 0.04 1.39 -0.75 -0.69 0.00 0.00 174.62 174.61 1s84 s LYS 230 N 0.92 3.57 0.53 4.92 2.20 -0.25 -2.57 119.74 129.05 1s84 s LYS 230 Ca 0.69 -1.17 0.18 0.00 -0.36 0.00 0.00 55.97 55.31 1s84 s LYS 230 Cb -0.44 -5.23 1.34 0.00 -1.51 0.00 0.00 37.83 31.99 1s84 s LYS 230 CO 0.33 -2.14 2.15 0.28 -0.36 0.00 0.00 175.35 175.62 1s84 h VAL 231 N 6.62 0.93 0.00 4.02 2.07 -1.77 -1.84 116.25 126.27 1s84 h VAL 231 Ca 0.17 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1s84 h VAL 231 Cb 1.01 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1s84 h VAL 231 CO 1.37 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.98 1s84 n ASN 233 N -1.12 0.37 -0.09 0.00 4.13 -0.69 -4.56 115.26 113.30 1s84 n ASN 233 Ca 0.10 0.02 0.01 0.00 1.68 0.00 0.00 54.58 56.39 1s84 n ASN 233 Cb 0.08 -0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.35 1s84 n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1s84 n TYR 234 N -1.56 0.07 -0.32 3.10 4.01 -0.47 -4.71 117.16 117.28 1s84 n TYR 234 Ca 0.06 -0.52 -0.04 0.00 -0.16 0.00 0.00 57.90 57.24 1s84 n TYR 234 Cb 0.35 -0.05 0.08 0.00 -0.31 0.00 0.00 39.34 39.40 1s84 n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1s84 h VAL 235 N 0.27 1.25 0.24 -0.72 2.07 -1.80 -0.38 116.25 117.18 1s84 h VAL 235 Ca 0.00 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1s84 h VAL 235 Cb 0.55 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1s84 h VAL 235 CO 0.00 0.28 -0.12 0.78 0.02 0.00 0.00 177.57 178.53 1s84 h ASN 236 N 1.20 -0.28 -0.74 0.57 4.21 -1.95 -1.58 115.58 117.01 1s84 h ASN 236 Ca 0.30 -0.04 0.04 0.00 1.21 0.00 0.00 56.30 57.82 1s84 h ASN 236 Cb 0.02 0.07 -0.05 0.00 -1.12 0.00 0.00 38.32 37.24 1s84 h ASN 236 CO -0.05 -0.14 0.45 -0.25 -1.29 0.00 0.00 177.43 176.15 1s84 h TRP 237 N -0.39 0.84 -0.25 1.19 7.01 -1.81 -0.44 115.95 122.09 1s84 h TRP 237 Ca -0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1s84 h TRP 237 Cb 0.30 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1s84 h TRP 237 CO -0.04 0.45 0.11 0.82 -2.79 0.00 0.00 178.44 176.99 1s84 h ILE 238 N 0.86 1.16 -0.35 2.65 2.04 -0.98 -0.99 117.51 121.89 1s84 h ILE 238 Ca 0.31 -0.46 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1s84 h ILE 238 Cb 0.10 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1s84 h ILE 238 CO -0.14 0.16 -0.28 -0.61 0.00 0.00 0.00 178.15 177.27 1s84 h GLN 239 N 0.26 0.74 -0.02 2.37 5.75 -0.83 -1.24 115.11 122.15 1s84 h GLN 239 Ca 0.08 -0.33 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1s84 h GLN 239 Cb 0.15 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 1s84 h GLN 239 CO -0.01 0.94 -0.13 0.37 -2.65 0.00 0.00 178.83 177.35 1s84 h GLN 240 N 0.64 -0.20 -0.62 1.69 5.75 -1.01 -0.87 115.11 120.49 1s84 h GLN 240 Ca 0.08 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 1s84 h GLN 240 Cb 0.80 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 1s84 h GLN 240 CO 0.07 -0.13 0.21 1.15 -2.65 0.00 0.00 178.83 177.47 1s84 h THR 241 N -0.20 1.24 -0.44 2.39 2.02 -0.95 -1.41 112.91 115.56 1s84 h THR 241 Ca 0.05 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1s84 h THR 241 Cb 0.27 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1s84 h THR 241 CO -0.14 0.31 0.10 0.40 0.37 0.00 0.00 175.52 176.57 1s84 h ILE 242 N 0.89 1.23 -0.36 3.11 2.04 -1.08 -2.89 117.51 120.46 1s84 h ILE 242 Ca 0.20 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1s84 h ILE 242 Cb 0.27 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1s84 h ILE 242 CO -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 1s84 h ALA 243 N 0.96 1.30 -0.00 1.87 0.00 -0.87 -2.99 119.26 119.53 1s84 h ALA 243 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s84 h ALA 243 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1s84 h ALA 243 CO 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 179.25 179.60 1s84 n ALA 244 N -2.48 2.70 -0.95 0.00 0.00 -0.56 -5.09 120.51 114.14 1s84 n ALA 244 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1s84 n ALA 244 Cb 0.27 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1s84 n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59