#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrs s VAL 17 N 0.00 5.39 -0.70 1.39 1.01 0.27 -4.00 120.40 123.76 1jrs s VAL 17 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1jrs s VAL 17 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1jrs s VAL 17 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1jrs n GLY 18 N 3.54 0.59 0.00 4.51 0.00 -1.25 -1.33 105.19 111.25 1jrs n GLY 18 Ca -0.15 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1jrs n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrs n GLY 19 N -1.67 1.77 3.10 -0.02 0.00 -1.26 -4.86 105.19 102.25 1jrs n GLY 19 Ca -0.08 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 1jrs n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jrs s TYR 20 N 2.06 0.34 0.00 1.61 1.13 0.03 -4.91 117.35 117.61 1jrs s TYR 20 Ca 0.00 -0.76 -0.30 0.00 -1.41 0.00 0.00 57.07 54.60 1jrs s TYR 20 Cb 0.00 -0.25 -0.07 0.00 -1.10 0.00 0.00 41.96 40.54 1jrs s TYR 20 CO 0.00 -0.37 1.70 0.99 -2.51 0.00 0.00 175.55 175.36 1jrs s THR 21 N -3.18 3.32 0.29 -3.49 2.01 -1.26 -0.09 115.64 113.24 1jrs s THR 21 Ca 0.00 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 1jrs s THR 21 Cb 0.02 -3.35 0.27 0.00 0.01 0.00 0.00 72.50 69.46 1jrs s THR 21 CO -0.07 -0.03 1.93 0.00 -0.69 0.00 0.00 174.62 175.76 1jrs n GLY 23 N -1.40 2.11 3.68 0.00 0.00 -1.26 -4.77 105.19 103.55 1jrs n GLY 23 Ca 0.12 -1.50 -0.49 0.00 0.00 0.00 0.00 46.02 44.15 1jrs n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrs n ALA 24 N 2.18 0.79 -2.10 4.61 0.00 -1.26 -2.61 120.51 122.12 1jrs n ALA 24 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 53.44 53.58 1jrs n ALA 24 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 1jrs n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jrs n ASN 25 N 5.57 -5.73 -0.06 0.00 3.02 -1.26 -4.86 115.26 111.94 1jrs n ASN 25 Ca 0.22 0.17 0.14 0.00 -0.03 0.00 0.00 54.58 55.07 1jrs n ASN 25 Cb 0.27 -4.85 0.54 0.00 -0.61 0.00 0.00 39.78 35.13 1jrs n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jrs n THR 26 N -3.43 0.00 -3.59 3.41 -2.24 -1.07 -4.07 114.28 103.28 1jrs n THR 26 Ca -0.23 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 1jrs n THR 26 Cb 0.68 -0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 1jrs n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1jrs n VAL 27 N -1.21 1.22 0.48 2.28 0.31 -1.26 -4.98 118.33 115.17 1jrs n VAL 27 Ca 0.11 -4.69 0.12 0.00 -0.01 0.00 0.00 64.34 59.87 1jrs n VAL 27 Cb 0.31 -2.06 0.46 0.00 -0.91 0.00 0.00 33.84 31.64 1jrs n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1jrs n PRO 28 N 1.65 0.20 0.00 5.55 -0.04 -1.26 -2.21 135.00 138.89 1jrs n PRO 28 Ca 0.25 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 1jrs n PRO 28 Cb 0.41 -1.83 0.32 0.00 -0.04 0.00 0.00 33.50 32.36 1jrs n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1jrs n TYR 29 N -2.19 0.00 -2.46 0.54 0.18 -1.16 -2.50 117.16 109.57 1jrs n TYR 29 Ca 0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 1jrs n TYR 29 Cb 0.28 -0.12 -0.03 0.00 -0.38 0.00 0.00 39.34 39.09 1jrs n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1jrs s GLN 30 N -2.54 4.50 0.05 -3.48 2.00 -0.94 -0.73 119.66 118.53 1jrs s GLN 30 Ca 0.23 1.76 0.08 0.00 -2.00 0.00 0.00 55.36 55.42 1jrs s GLN 30 Cb 0.19 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.66 1jrs s GLN 30 CO 0.54 -0.11 -0.21 0.08 -0.50 0.00 0.00 175.29 175.09 1jrs s VAL 31 N 0.43 2.58 -0.16 1.34 1.01 -0.59 -4.35 120.40 120.65 1jrs s VAL 31 Ca 0.54 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 1jrs s VAL 31 Cb -0.30 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1jrs s VAL 31 CO 0.32 0.31 -0.03 -0.55 0.00 0.00 0.00 175.10 175.15 1jrs s SER 32 N -1.49 4.75 -0.22 3.32 0.15 -0.43 -2.34 113.70 117.45 1jrs s SER 32 Ca 0.14 -0.16 -0.14 0.00 0.70 0.00 0.00 55.95 56.49 1jrs s SER 32 Cb -0.10 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.38 1jrs s SER 32 CO 0.05 0.14 0.33 -0.76 1.20 0.00 0.00 173.24 174.20 1jrs s LEU 33 N 0.51 4.13 -0.08 3.45 1.43 0.45 -0.76 118.68 127.82 1jrs s LEU 33 Ca -0.03 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.47 1jrs s LEU 33 Cb -0.14 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1jrs s LEU 33 CO 0.03 -0.05 -0.16 0.21 0.23 0.00 0.00 176.35 176.61 1jrs s ASN 34 N 1.11 2.19 -0.42 2.29 2.47 -0.36 -0.89 114.94 121.33 1jrs s ASN 34 Ca 0.15 -0.38 0.09 0.00 0.42 0.00 0.00 52.86 53.14 1jrs s ASN 34 Cb -0.14 -1.01 0.41 0.00 -1.45 0.00 0.00 41.25 39.06 1jrs s ASN 34 CO 0.07 0.08 1.00 -1.54 -3.72 0.00 0.00 177.10 172.99 1jrs n SER 37 N 3.71 3.41 0.00 -4.21 3.41 -1.26 -1.89 113.62 116.80 1jrs n SER 37 Ca -0.22 -3.37 0.00 0.00 -0.26 0.00 0.00 58.87 55.02 1jrs n SER 37 Cb 0.52 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1jrs n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrs n GLY 38 N -0.25 0.75 3.62 5.00 0.00 -1.26 -4.99 105.19 108.05 1jrs n GLY 38 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 1jrs n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jrs s TYR 39 N -2.55 -0.10 -0.07 1.61 1.13 -1.26 -5.13 117.35 110.98 1jrs s TYR 39 Ca 0.00 0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.46 1jrs s TYR 39 Cb 0.00 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1jrs s TYR 39 CO 0.00 -0.13 1.32 -1.58 -2.51 0.00 0.00 175.55 172.65 1jrs s HIS 40 N -1.93 2.87 0.00 -3.49 5.65 -1.26 -4.18 115.29 112.95 1jrs s HIS 40 Ca 0.09 0.93 0.00 0.00 0.25 0.00 0.00 55.06 56.33 1jrs s HIS 40 Cb -0.01 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.82 1jrs s HIS 40 CO -0.04 -2.02 0.00 1.97 -0.65 0.00 0.00 174.74 173.99 1jrs n PHE 41 N 5.85 0.00 -3.63 3.88 -1.74 -0.06 -4.98 117.46 116.78 1jrs n PHE 41 Ca 0.13 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.91 1jrs n PHE 41 Cb 0.45 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.40 1jrs n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1jrs n GLY 43 N 0.04 1.07 3.84 0.00 0.00 0.37 -0.41 105.19 110.09 1jrs n GLY 43 Ca -0.17 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.75 1jrs n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jrs s GLY 44 N -4.63 -0.08 -0.02 -0.02 0.00 -0.99 -3.79 107.32 97.79 1jrs s GLY 44 Ca 0.57 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 45.28 1jrs s GLY 44 CO 0.37 2.23 -0.06 -0.56 0.00 0.00 0.00 173.10 175.08 1jrs s SER 45 N -3.33 0.86 -0.13 1.64 0.01 -0.74 -1.54 113.70 110.47 1jrs s SER 45 Ca 0.20 -0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 1jrs s SER 45 Cb -0.01 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 65.94 1jrs s SER 45 CO 0.02 0.01 0.99 -0.22 0.41 0.00 0.00 173.24 174.46 1jrs s LEU 46 N 0.39 4.22 -0.00 2.44 2.96 0.09 -1.12 118.68 127.65 1jrs s LEU 46 Ca -0.05 1.47 0.09 0.00 -0.22 0.00 0.00 54.13 55.42 1jrs s LEU 46 Cb -0.09 -3.52 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1jrs s LEU 46 CO 0.00 -0.48 0.36 2.30 -1.32 0.00 0.00 176.35 177.21 1jrs n ILE 47 N 4.68 0.00 -3.76 6.68 -5.35 -0.42 -1.32 119.36 119.88 1jrs n ILE 47 Ca 0.09 -0.27 -0.06 0.00 -0.27 0.00 0.00 62.75 62.23 1jrs n ILE 47 Cb 0.48 0.89 0.02 0.00 -1.74 0.00 0.00 39.64 39.29 1jrs n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1jrs n ASN 48 N -1.31 -1.88 0.14 7.28 0.23 -1.21 -4.57 115.26 113.95 1jrs n ASN 48 Ca 0.01 -2.20 0.12 0.00 -0.53 0.00 0.00 54.58 51.97 1jrs n ASN 48 Cb 0.16 3.10 0.53 0.00 -2.08 0.00 0.00 39.78 41.49 1jrs n ASN 48 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jrs n SER 49 N -1.39 0.63 -0.06 0.53 3.41 -1.26 -2.97 113.62 112.51 1jrs n SER 49 Ca -0.06 0.71 0.01 0.00 -0.26 0.00 0.00 58.87 59.27 1jrs n SER 49 Cb 0.53 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1jrs n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jrs n GLN 50 N -2.26 2.33 -4.23 4.33 1.13 -1.26 0.10 117.38 117.53 1jrs n GLN 50 Ca 0.01 -0.38 -0.17 0.00 -1.94 0.00 0.00 57.00 54.52 1jrs n GLN 50 Cb 0.15 -0.86 -0.14 0.00 0.11 0.00 0.00 30.24 29.50 1jrs n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1jrs s TRP 51 N -0.66 0.68 -0.01 1.08 0.52 -1.16 -0.89 118.94 118.50 1jrs s TRP 51 Ca 0.02 -0.21 0.08 0.00 0.02 0.00 0.00 56.10 56.02 1jrs s TRP 51 Cb 0.02 -0.43 -0.02 0.00 -1.15 0.00 0.00 33.47 31.89 1jrs s TRP 51 CO 0.06 -0.02 -0.25 0.08 0.02 0.00 0.00 176.95 176.84 1jrs s VAL 52 N -0.44 2.02 -0.15 4.03 1.01 -0.37 -1.30 120.40 125.20 1jrs s VAL 52 Ca 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 61.98 60.80 1jrs s VAL 52 Cb -0.04 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1jrs s VAL 52 CO 0.00 0.54 0.08 -0.69 0.00 0.00 0.00 175.10 175.03 1jrs s VAL 53 N -0.62 4.96 0.00 2.92 1.01 -0.28 -0.59 120.40 127.80 1jrs s VAL 53 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1jrs s VAL 53 Cb -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1jrs s VAL 53 CO -0.01 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.38 1jrs n SER 54 N 2.89 0.00 -4.83 3.32 2.88 0.31 -1.79 113.62 116.40 1jrs n SER 54 Ca -0.18 -0.89 -0.37 0.00 -1.33 0.00 0.00 58.87 56.10 1jrs n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1jrs n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jrs s ALA 55 N -1.64 3.59 0.39 -1.46 0.00 -1.26 -0.75 121.76 120.63 1jrs s ALA 55 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 51.96 51.96 1jrs s ALA 55 Cb 0.00 -2.56 0.82 0.00 0.00 0.00 0.00 23.12 21.38 1jrs s ALA 55 CO 0.00 0.43 2.01 0.00 0.00 0.00 0.00 175.76 178.20 1jrs h ALA 56 N 4.02 1.73 0.00 0.00 0.00 -1.67 -1.49 119.26 121.85 1jrs h ALA 56 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1jrs h ALA 56 Cb 1.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jrs h ALA 56 CO 0.64 0.20 0.00 -2.39 0.00 0.00 0.00 179.25 177.71 1jrs n HIS 57 N -4.47 0.00 1.50 0.00 1.44 -1.26 -1.41 115.22 111.01 1jrs n HIS 57 Ca 0.07 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.92 1jrs n HIS 57 Cb 0.15 -0.25 0.60 0.00 0.12 0.00 0.00 29.99 30.62 1jrs n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1jrs n TYR 59 N -0.62 2.57 -3.80 0.00 9.36 -0.50 -5.00 117.16 119.17 1jrs n TYR 59 Ca 0.17 0.25 -0.06 0.00 3.32 0.00 0.00 57.90 61.58 1jrs n TYR 59 Cb 0.28 -2.57 -0.02 0.00 -0.63 0.00 0.00 39.34 36.40 1jrs n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1jrs s LYS 60 N 0.11 1.55 0.36 2.98 -2.85 -1.26 -5.15 119.74 115.48 1jrs s LYS 60 Ca 0.70 -0.85 0.02 0.00 -1.00 0.00 0.00 55.97 54.83 1jrs s LYS 60 Cb -0.57 0.54 -0.02 0.00 -2.06 0.00 0.00 37.83 35.72 1jrs s LYS 60 CO 0.44 -0.71 0.56 -1.54 0.10 0.00 0.00 175.35 174.19 1jrs s SER 61 N -2.92 6.13 -0.27 0.03 1.04 -1.26 -4.55 113.70 111.90 1jrs s SER 61 Ca 0.11 0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 1jrs s SER 61 Cb -0.04 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1jrs s SER 61 CO 0.04 -0.40 0.23 0.61 0.98 0.00 0.00 173.24 174.70 1jrs n GLY 62 N -1.82 0.43 3.72 7.32 0.00 -1.26 -5.02 105.19 108.57 1jrs n GLY 62 Ca -0.03 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1jrs n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrs s ILE 63 N -3.07 5.34 -0.15 -0.61 1.01 -1.26 -4.54 121.20 117.91 1jrs s ILE 63 Ca 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 60.65 61.11 1jrs s ILE 63 Cb -0.02 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1jrs s ILE 63 CO 0.16 0.40 -0.06 -1.58 0.00 0.00 0.00 174.94 173.85 1jrs s GLN 64 N 0.49 3.57 -0.22 2.79 0.74 -0.79 -1.77 119.66 124.47 1jrs s GLN 64 Ca 0.14 -0.57 -0.15 0.00 0.05 0.00 0.00 55.36 54.82 1jrs s GLN 64 Cb -0.12 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1jrs s GLN 64 CO 0.02 0.20 0.38 0.08 -0.55 0.00 0.00 175.29 175.43 1jrs s VAL 964 N 0.44 5.20 -0.32 1.34 1.01 0.56 -1.23 120.40 127.40 1jrs s VAL 964 Ca -0.05 0.65 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1jrs s VAL 964 Cb -0.15 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1jrs s VAL 964 CO 0.03 0.23 0.07 -0.13 0.00 0.00 0.00 175.10 175.30 1jrs s ARG 65 N 1.53 2.67 0.14 2.72 0.52 0.06 -0.69 118.95 125.90 1jrs s ARG 65 Ca 0.18 -1.13 0.03 0.00 -0.52 0.00 0.00 55.73 54.28 1jrs s ARG 65 Cb -0.15 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 1jrs s ARG 65 CO 0.08 -0.60 0.23 -0.51 0.02 0.00 0.00 175.30 174.52 1jrs s LEU 66 N 1.38 4.16 -1.10 2.53 1.43 0.14 -1.31 118.68 125.92 1jrs s LEU 66 Ca -0.02 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1jrs s LEU 66 Cb -0.19 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1jrs s LEU 66 CO 0.01 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1jrs n GLY 69 N -0.38 0.80 3.78 -3.19 0.00 -1.26 -1.41 105.19 103.53 1jrs n GLY 69 Ca -0.07 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1jrs n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jrs s GLU 70 N -3.46 4.61 0.00 1.61 0.41 -1.26 -4.09 118.70 116.52 1jrs s GLU 70 Ca 0.00 1.28 0.00 0.00 -0.41 0.00 0.00 54.97 55.84 1jrs s GLU 70 Cb 0.00 -3.01 0.00 0.00 -1.78 0.00 0.00 34.13 29.34 1jrs s GLU 70 CO 0.00 0.41 0.00 -3.47 -0.49 0.00 0.00 175.26 171.71 1jrs n ASP 71 N 1.00 0.00 -4.62 -0.19 2.03 -1.26 -4.67 116.55 108.84 1jrs n ASP 71 Ca -0.01 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.87 1jrs n ASP 71 Cb 0.49 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.87 1jrs n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1jrs s ASN 72 N -1.32 6.68 0.18 1.67 3.04 -1.26 -3.43 114.94 120.51 1jrs s ASN 72 Ca 0.00 0.87 0.25 0.00 0.04 0.00 0.00 52.86 54.02 1jrs s ASN 72 Cb 0.00 -2.54 0.91 0.00 -1.54 0.00 0.00 41.25 38.07 1jrs s ASN 72 CO 0.00 -1.13 1.76 2.30 -3.04 0.00 0.00 177.10 176.98 1jrs n ILE 73 N 6.45 0.60 1.00 -5.21 -5.35 0.00 -3.14 119.36 113.72 1jrs n ILE 73 Ca 0.13 -0.06 0.11 0.00 -0.27 0.00 0.00 62.75 62.67 1jrs n ILE 73 Cb 0.48 -0.77 0.06 0.00 -1.74 0.00 0.00 39.64 37.67 1jrs n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1jrs n ASN 74 N -2.08 0.78 -4.16 7.28 3.02 -1.26 -4.92 115.26 113.91 1jrs n ASN 74 Ca 0.05 -0.66 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 1jrs n ASN 74 Cb 0.34 0.62 -0.15 0.00 -0.61 0.00 0.00 39.78 39.98 1jrs n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jrs s VAL 75 N -2.98 1.41 -0.23 2.41 1.01 -1.19 -5.10 120.40 115.73 1jrs s VAL 75 Ca 0.10 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 1jrs s VAL 75 Cb 0.17 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1jrs s VAL 75 CO 0.78 0.40 0.80 -0.69 0.00 0.00 0.00 175.10 176.39 1jrs s VAL 76 N -0.33 4.87 -0.05 2.92 1.01 -1.26 -4.72 120.40 122.82 1jrs s VAL 76 Ca 0.05 1.53 0.02 0.00 0.00 0.00 0.00 61.98 63.57 1jrs s VAL 76 Cb -0.08 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1jrs s VAL 76 CO -0.00 -0.03 0.06 -0.62 0.00 0.00 0.00 175.10 174.50 1jrs n GLU 77 N 5.77 4.41 0.00 2.72 1.02 -1.26 -5.11 120.64 128.19 1jrs n GLU 77 Ca 0.04 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1jrs n GLU 77 Cb 0.48 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 31.17 1jrs n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jrs n GLY 78 N 1.47 2.74 2.73 0.62 0.00 -1.26 -5.02 105.19 106.48 1jrs n GLY 78 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1jrs n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jrs n ASN 79 N 0.00 0.00 -4.78 1.61 4.13 -1.26 -4.98 115.26 109.98 1jrs n ASN 79 Ca 0.00 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.89 1jrs n ASN 79 Cb 0.00 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.21 1jrs n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1jrs s GLU 80 N -0.09 4.02 -0.07 3.52 8.01 -1.26 -4.39 118.70 128.45 1jrs s GLU 80 Ca 0.00 1.63 0.00 0.00 0.01 0.00 0.00 54.97 56.62 1jrs s GLU 80 Cb 0.00 -2.51 0.02 0.00 -4.31 0.00 0.00 34.13 27.33 1jrs s GLU 80 CO 0.00 -0.29 -0.04 -0.65 0.01 0.00 0.00 175.26 174.28 1jrs s GLN 81 N -2.54 0.97 -0.23 1.61 -0.21 -0.50 -4.98 119.66 113.79 1jrs s GLN 81 Ca 0.60 -0.10 -0.07 0.00 0.02 0.00 0.00 55.36 55.80 1jrs s GLN 81 Cb -0.25 -1.06 -0.03 0.00 1.00 0.00 0.00 33.01 32.67 1jrs s GLN 81 CO 0.31 -0.16 0.06 -0.06 -2.12 0.00 0.00 175.29 173.32 1jrs s PHE 82 N 1.32 3.11 -0.02 0.91 0.08 -1.26 -0.69 117.98 121.43 1jrs s PHE 82 Ca -0.04 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 56.69 1jrs s PHE 82 Cb -0.14 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1jrs s PHE 82 CO -0.02 -0.24 -0.00 0.42 -0.10 0.00 0.00 175.22 175.27 1jrs s ILE 83 N 1.29 0.16 0.49 0.64 1.01 0.13 -4.99 121.20 119.93 1jrs s ILE 83 Ca 0.05 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 1jrs s ILE 83 Cb -0.15 -0.23 -0.07 0.00 0.01 0.00 0.00 42.46 42.03 1jrs s ILE 83 CO 0.03 0.12 1.14 -0.44 0.00 0.00 0.00 174.94 175.79 1jrs s SER 84 N 0.73 6.02 0.03 3.58 0.01 -1.26 -0.32 113.70 122.49 1jrs s SER 84 Ca -0.07 2.22 -0.30 0.00 1.31 0.00 0.00 55.95 59.11 1jrs s SER 84 Cb -0.10 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.48 1jrs s SER 84 CO -0.01 -1.02 1.28 0.00 0.41 0.00 0.00 173.24 173.90 1jrs s ALA 85 N -1.66 3.49 -0.14 1.44 0.00 -0.73 -0.53 121.76 123.63 1jrs s ALA 85 Ca 0.67 0.86 0.18 0.00 0.00 0.00 0.00 51.96 53.67 1jrs s ALA 85 Cb -0.26 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.21 1jrs s ALA 85 CO 0.30 -0.65 0.79 -1.13 0.00 0.00 0.00 175.76 175.07 1jrs n SER 86 N 4.54 0.75 -3.61 0.00 3.41 0.64 -4.69 113.62 114.65 1jrs n SER 86 Ca 0.11 0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.89 1jrs n SER 86 Cb 0.45 0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 64.71 1jrs n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1jrs s LYS 87 N -3.01 0.86 -0.11 4.33 -2.85 -1.15 -4.99 119.74 112.83 1jrs s LYS 87 Ca -0.03 0.72 0.03 0.00 -1.00 0.00 0.00 55.97 55.68 1jrs s LYS 87 Cb 0.09 0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1jrs s LYS 87 CO 0.82 -0.16 -0.21 -1.12 0.10 0.00 0.00 175.35 174.78 1jrs s SER 88 N -0.12 3.37 -0.43 0.03 0.01 -1.26 -0.54 113.70 114.76 1jrs s SER 88 Ca -0.03 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 56.78 1jrs s SER 88 Cb -0.03 -1.46 0.12 0.00 0.21 0.00 0.00 66.02 64.85 1jrs s SER 88 CO 0.04 0.16 0.16 -0.63 0.41 0.00 0.00 173.24 173.38 1jrs s ILE 89 N 0.33 2.45 0.35 1.44 1.01 0.82 -4.95 121.20 122.65 1jrs s ILE 89 Ca -0.16 -2.84 -0.28 0.00 0.00 0.00 0.00 60.65 57.37 1jrs s ILE 89 Cb -0.17 -2.75 -0.10 0.00 0.01 0.00 0.00 42.46 39.44 1jrs s ILE 89 CO 0.08 -0.70 1.27 -0.69 0.00 0.00 0.00 174.94 174.90 1jrs s VAL 90 N 0.30 2.81 0.13 2.92 1.01 -1.26 -0.99 120.40 125.32 1jrs s VAL 90 Ca 0.14 0.79 -0.34 0.00 0.00 0.00 0.00 61.98 62.57 1jrs s VAL 90 Cb -0.23 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.52 1jrs s VAL 90 CO -0.04 0.17 1.57 1.57 0.00 0.00 0.00 175.10 178.37 1jrs n HIS 91 N 0.65 2.19 -0.08 5.22 -0.00 -0.77 -4.86 115.22 117.58 1jrs n HIS 91 Ca 0.01 0.30 0.22 0.00 0.46 0.00 0.00 57.72 58.71 1jrs n HIS 91 Cb 0.43 -2.53 0.67 0.00 -0.12 0.00 0.00 29.99 28.45 1jrs n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jrs h PRO 92 N 5.98 0.06 -0.64 1.57 0.11 -1.93 -1.45 132.00 135.70 1jrs h PRO 92 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jrs h PRO 92 Cb 1.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jrs h PRO 92 CO 0.88 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 179.14 1jrs n SER 93 N -4.36 4.45 -4.72 -2.05 7.64 -1.26 -4.98 113.62 108.32 1jrs n SER 93 Ca 0.13 -2.50 -0.42 0.00 1.01 0.00 0.00 58.87 57.09 1jrs n SER 93 Cb 0.70 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 1jrs n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jrs n TYR 94 N 0.84 2.78 -3.99 1.43 9.36 -0.55 -4.69 117.16 122.34 1jrs n TYR 94 Ca 0.23 0.08 -0.34 0.00 3.32 0.00 0.00 57.90 61.18 1jrs n TYR 94 Cb 0.87 -2.66 -0.15 0.00 -0.63 0.00 0.00 39.34 36.77 1jrs n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1jrs s ASN 95 N 1.04 3.91 0.52 2.98 3.84 -0.64 -5.00 114.94 121.59 1jrs s ASN 95 Ca 0.73 -0.60 0.31 0.00 0.21 0.00 0.00 52.86 53.51 1jrs s ASN 95 Cb -0.50 -1.63 1.12 0.00 -0.55 0.00 0.00 41.25 39.68 1jrs s ASN 95 CO 0.35 -0.04 1.89 0.77 -2.79 0.00 0.00 177.10 177.29 1jrs h SER 96 N 8.03 0.00 0.24 -4.21 4.64 -1.93 0.39 113.55 120.70 1jrs h SER 96 Ca -0.41 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.57 1jrs h SER 96 Cb 1.14 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.24 1jrs h SER 96 CO 0.61 0.01 -1.70 0.78 -0.87 0.00 0.00 176.83 175.67 1jrs h ASN 97 N 0.00 0.61 0.38 4.97 2.35 -1.97 -3.36 115.58 118.56 1jrs h ASN 97 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 1jrs h ASN 97 Cb 0.63 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1jrs h ASN 97 CO 0.00 1.73 -1.07 0.35 -1.65 0.00 0.00 177.43 176.80 1jrs n THR 98 N -3.58 0.15 -1.53 2.81 -2.24 -1.14 -4.95 114.28 103.80 1jrs n THR 98 Ca -0.23 -0.24 -0.18 0.00 -2.27 0.00 0.00 64.05 61.13 1jrs n THR 98 Cb 1.08 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 1jrs n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jrs n LEU 99 N -1.94 -1.22 -4.77 3.22 7.99 0.13 -4.97 117.00 115.45 1jrs n LEU 99 Ca 0.02 0.45 -0.40 0.00 -0.01 0.00 0.00 56.01 56.07 1jrs n LEU 99 Cb 0.43 -2.77 -0.03 0.00 -0.11 0.00 0.00 43.42 40.95 1jrs n LEU 99 CO 0.41 -1.06 0.87 0.21 -1.51 0.00 0.00 177.39 176.31 1jrs s ASN 100 N -2.70 6.92 -1.09 -1.43 2.47 -1.21 -3.23 114.94 114.67 1jrs s ASN 100 Ca 0.00 2.43 -0.05 0.00 0.42 0.00 0.00 52.86 55.66 1jrs s ASN 100 Cb 0.00 -2.63 0.01 0.00 -1.45 0.00 0.00 41.25 37.17 1jrs s ASN 100 CO 0.00 -0.40 0.94 0.59 -3.72 0.00 0.00 177.10 174.51 1jrs n ASN 101 N 0.78 -4.47 -4.57 -4.21 3.02 -1.26 -1.61 115.26 102.94 1jrs n ASN 101 Ca 0.01 -0.47 -0.43 0.00 -0.03 0.00 0.00 54.58 53.65 1jrs n ASN 101 Cb 0.44 -4.33 -0.00 0.00 -0.61 0.00 0.00 39.78 35.28 1jrs n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jrs s ASP 102 N -3.56 6.86 -0.07 6.41 2.15 -1.20 -4.30 116.67 122.97 1jrs s ASP 102 Ca 0.33 -2.51 -0.12 0.00 0.43 0.00 0.00 52.55 50.69 1jrs s ASP 102 Cb -0.15 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 1jrs s ASP 102 CO 0.61 -1.12 0.29 -0.51 -0.17 0.00 0.00 175.17 174.27 1jrs s ILE 103 N 3.94 0.02 -0.02 4.11 2.07 -1.26 -3.86 121.20 126.20 1jrs s ILE 103 Ca 0.53 -0.21 -0.04 0.00 -1.41 0.00 0.00 60.65 59.52 1jrs s ILE 103 Cb 0.03 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 42.14 1jrs s ILE 103 CO 0.07 -0.11 0.10 -0.32 -1.91 0.00 0.00 174.94 172.76 1jrs s MET 104 N -0.43 0.21 -0.12 3.50 -2.45 0.07 -1.84 119.30 118.24 1jrs s MET 104 Ca -0.05 -0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.32 1jrs s MET 104 Cb -0.04 0.09 -0.03 0.00 1.25 0.00 0.00 34.83 36.11 1jrs s MET 104 CO 0.02 -0.04 -0.03 -0.51 1.05 0.00 0.00 175.02 175.51 1jrs s LEU 105 N -0.38 3.36 -0.15 4.11 1.43 -0.17 -0.53 118.68 126.35 1jrs s LEU 105 Ca -0.05 -0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1jrs s LEU 105 Cb -0.03 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1jrs s LEU 105 CO 0.00 0.27 -0.17 -0.63 0.23 0.00 0.00 176.35 176.05 1jrs s ILE 106 N -0.25 2.46 -0.08 -0.59 1.01 0.24 -0.13 121.20 123.86 1jrs s ILE 106 Ca 0.05 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.68 1jrs s ILE 106 Cb -0.13 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1jrs s ILE 106 CO 0.02 0.53 0.49 -0.75 0.00 0.00 0.00 174.94 175.22 1jrs s LYS 107 N 0.84 4.28 0.28 2.79 2.20 0.30 -1.24 119.74 129.20 1jrs s LYS 107 Ca -0.05 0.49 -0.22 0.00 -0.36 0.00 0.00 55.97 55.83 1jrs s LYS 107 Cb -0.15 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 1jrs s LYS 107 CO -0.01 0.26 0.82 -0.51 -0.36 0.00 0.00 175.35 175.55 1jrs s LEU 108 N 0.27 4.29 0.31 5.43 1.43 -0.07 -0.26 118.68 130.07 1jrs s LEU 108 Ca 0.26 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 1jrs s LEU 108 Cb -0.16 -3.85 0.54 0.00 0.03 0.00 0.00 46.19 42.75 1jrs s LEU 108 CO 0.12 -0.05 1.92 0.50 0.23 0.00 0.00 176.35 179.06 1jrs h LYS 109 N 3.12 0.98 -4.18 1.70 3.64 -1.09 -3.42 116.57 117.32 1jrs h LYS 109 Ca -0.48 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 58.73 1jrs h LYS 109 Cb 1.19 -0.22 -0.15 0.00 -0.41 0.00 0.00 32.23 32.64 1jrs h LYS 109 CO 0.65 0.65 -0.63 -1.54 -2.27 0.00 0.00 179.45 176.31 1jrs s SER 110 N -6.05 0.41 0.25 4.20 1.04 -1.26 -4.98 113.70 107.31 1jrs s SER 110 Ca -0.11 -0.96 -0.30 0.00 0.48 0.00 0.00 55.95 55.06 1jrs s SER 110 Cb 0.20 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.45 1jrs s SER 110 CO 0.80 -0.63 1.31 0.00 0.98 0.00 0.00 173.24 175.70 1jrs s ALA 111 N -3.92 3.53 0.61 5.32 0.00 -1.26 -4.85 121.76 121.18 1jrs s ALA 111 Ca 0.08 1.17 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 1jrs s ALA 111 Cb 0.07 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1jrs s ALA 111 CO -0.09 -0.57 1.21 0.00 0.00 0.00 0.00 175.76 176.31 1jrs s ALA 112 N -0.32 2.50 -0.36 0.00 0.00 0.12 -5.00 121.76 118.70 1jrs s ALA 112 Ca 0.54 1.00 -0.23 0.00 0.00 0.00 0.00 51.96 53.27 1jrs s ALA 112 Cb -0.38 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.29 1jrs s ALA 112 CO 0.43 -1.24 0.79 -1.12 0.00 0.00 0.00 175.76 174.62 1jrs s SER 113 N -1.63 6.57 -0.03 0.00 0.01 -1.26 -4.86 113.70 112.49 1jrs s SER 113 Ca 0.77 0.41 -0.17 0.00 1.31 0.00 0.00 55.95 58.27 1jrs s SER 113 Cb -0.31 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1jrs s SER 113 CO 0.34 -0.72 0.45 -0.76 0.41 0.00 0.00 173.24 172.97 1jrs s LEU 114 N 3.10 4.41 0.00 2.44 1.43 -1.26 -4.65 118.68 124.15 1jrs s LEU 114 Ca 0.32 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 1jrs s LEU 114 Cb -0.13 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.42 1jrs s LEU 114 CO 0.16 0.20 0.00 -0.46 0.23 0.00 0.00 176.35 176.49 1jrs n ASN 115 N 2.46 0.70 0.20 2.29 0.23 0.08 -4.97 115.26 116.25 1jrs n ASN 115 Ca -0.11 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 53.84 1jrs n ASN 115 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.16 1jrs n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1jrs h SER 116 N 0.00 -0.48 0.68 0.53 0.02 -2.01 -3.35 113.55 108.94 1jrs h SER 116 Ca 0.00 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1jrs h SER 116 Cb 0.00 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1jrs h SER 116 CO 0.00 -0.05 -0.00 0.03 -1.14 0.00 0.00 176.83 175.67 1jrs h ARG 117 N -1.09 0.00 -4.07 3.45 -0.00 -1.95 -3.40 114.38 107.32 1jrs h ARG 117 Ca -0.06 0.00 -0.47 0.00 -0.50 0.00 0.00 59.98 58.95 1jrs h ARG 117 Cb 0.50 0.00 -0.36 0.00 0.00 0.00 0.00 29.97 30.11 1jrs h ARG 117 CO 0.10 0.00 -0.79 0.08 0.00 0.00 0.00 179.97 179.36 1jrs s VAL 118 N -3.83 0.73 0.03 2.04 1.01 -1.26 -4.57 120.40 114.56 1jrs s VAL 118 Ca -0.01 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 1jrs s VAL 118 Cb 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 36.38 35.74 1jrs s VAL 118 CO 0.50 0.30 0.40 0.00 0.00 0.00 0.00 175.10 176.30 1jrs s ALA 119 N 1.46 -0.98 0.56 5.51 0.00 -1.04 -0.74 121.76 126.53 1jrs s ALA 119 Ca -0.01 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 1jrs s ALA 119 Cb -0.13 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1jrs s ALA 119 CO -0.04 -0.42 0.87 -1.54 0.00 0.00 0.00 175.76 174.63 1jrs s SER 120 N -1.88 5.81 0.05 0.00 1.04 -1.26 -2.96 113.70 114.49 1jrs s SER 120 Ca -0.07 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.21 1jrs s SER 120 Cb -0.01 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1jrs s SER 120 CO -0.01 -0.91 -0.09 -0.51 0.98 0.00 0.00 173.24 172.70 1jrs s ILE 121 N -2.92 3.47 0.38 -1.02 1.10 -0.43 -4.86 121.20 116.91 1jrs s ILE 121 Ca 0.52 -1.00 -0.19 0.00 -0.51 0.00 0.00 60.65 59.46 1jrs s ILE 121 Cb -0.10 -2.55 -0.10 0.00 0.15 0.00 0.00 42.46 39.85 1jrs s ILE 121 CO 0.45 0.28 0.87 -0.44 -2.11 0.00 0.00 174.94 173.99 1jrs s SER 122 N -1.74 6.91 0.48 4.50 0.01 -1.26 -4.56 113.70 118.04 1jrs s SER 122 Ca 0.19 1.56 -0.19 0.00 1.31 0.00 0.00 55.95 58.81 1jrs s SER 122 Cb -0.11 -2.48 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 1jrs s SER 122 CO 0.10 -0.29 0.99 -0.76 0.41 0.00 0.00 173.24 173.70 1jrs s LEU 123 N -3.03 3.79 0.60 2.44 1.43 -1.26 -0.70 118.68 121.95 1jrs s LEU 123 Ca 0.58 1.74 -0.15 0.00 -1.03 0.00 0.00 54.13 55.27 1jrs s LEU 123 Cb -0.10 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.55 1jrs s LEU 123 CO 0.15 -0.62 1.06 -2.16 0.23 0.00 0.00 176.35 175.01 1jrs s PRO 124 N -3.50 3.26 -0.01 1.29 0.04 -1.26 -4.78 135.00 130.04 1jrs s PRO 124 Ca 0.63 1.20 0.22 0.00 0.04 0.00 0.00 61.00 63.08 1jrs s PRO 124 Cb -0.12 -2.02 -0.30 0.00 0.04 0.00 0.00 34.50 32.09 1jrs s PRO 124 CO 0.22 -0.86 0.53 0.25 0.04 0.00 0.00 177.00 177.18 1jrs n THR 125 N -2.13 0.10 -3.97 1.26 -2.24 -1.26 -4.95 114.28 101.08 1jrs n THR 125 Ca 0.09 -0.51 -0.09 0.00 -2.27 0.00 0.00 64.05 61.26 1jrs n THR 125 Cb 0.53 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.61 1jrs n THR 125 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jrs s SER 127 N -4.63 0.26 0.53 3.42 0.01 -1.26 -5.14 113.70 106.89 1jrs s SER 127 Ca -0.07 -0.63 -0.20 0.00 1.31 0.00 0.00 55.95 56.36 1jrs s SER 127 Cb 0.13 0.19 -0.06 0.00 0.21 0.00 0.00 66.02 66.49 1jrs s SER 127 CO 0.90 -0.48 1.13 0.00 0.41 0.00 0.00 173.24 175.19 1jrs s ALA 129 N -1.76 3.20 0.39 0.00 0.00 -1.26 -5.07 121.76 117.26 1jrs s ALA 129 Ca 0.71 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.72 1jrs s ALA 129 Cb -0.24 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 1jrs s ALA 129 CO 0.27 -0.03 0.59 -1.54 0.00 0.00 0.00 175.76 175.05 1jrs s SER 130 N -2.89 6.05 0.28 0.00 1.04 -1.26 -4.99 113.70 111.92 1jrs s SER 130 Ca 0.56 0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 1jrs s SER 130 Cb -0.10 -1.72 -0.14 0.00 0.10 0.00 0.00 66.02 64.17 1jrs s SER 130 CO 0.27 -0.49 1.16 0.00 0.98 0.00 0.00 173.24 175.16 1jrs n ALA 132 N -1.89 0.25 0.00 5.32 0.00 -1.26 -1.73 120.51 121.19 1jrs n ALA 132 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1jrs n ALA 132 Cb 0.57 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1jrs n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrs n GLY 133 N 1.38 2.31 3.73 0.00 0.00 0.90 -4.94 105.19 108.56 1jrs n GLY 133 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1jrs n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrs s THR 134 N -2.28 2.71 0.19 2.61 2.01 -0.71 -4.64 115.64 115.53 1jrs s THR 134 Ca 0.00 0.54 -0.20 0.00 0.31 0.00 0.00 61.69 62.33 1jrs s THR 134 Cb 0.00 -3.34 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1jrs s THR 134 CO 0.00 0.05 0.70 -1.10 -0.69 0.00 0.00 174.62 173.58 1jrs s GLN 135 N 0.68 4.28 0.06 4.92 -1.52 -1.26 -0.94 119.66 125.87 1jrs s GLN 135 Ca 0.66 0.87 -0.00 0.00 -1.95 0.00 0.00 55.36 54.94 1jrs s GLN 135 Cb -0.42 -2.99 -0.04 0.00 -0.22 0.00 0.00 33.01 29.34 1jrs s GLN 135 CO 0.35 0.46 -0.04 0.00 -0.25 0.00 0.00 175.29 175.81 1jrs s LEU 137 N -2.88 3.02 -0.10 0.00 2.96 0.72 -0.95 118.68 121.45 1jrs s LEU 137 Ca 0.07 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1jrs s LEU 137 Cb 0.07 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1jrs s LEU 137 CO -0.09 0.07 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.31 1jrs s ILE 138 N 0.96 3.63 0.03 6.68 1.01 -0.27 -1.23 121.20 132.02 1jrs s ILE 138 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.13 1jrs s ILE 138 Cb -0.15 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 1jrs s ILE 138 CO 0.01 0.55 0.05 -0.94 0.00 0.00 0.00 174.94 174.61 1jrs s SER 139 N -0.27 0.21 0.00 3.58 1.04 -1.25 -0.95 113.70 116.07 1jrs s SER 139 Ca 0.04 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1jrs s SER 139 Cb -0.13 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1jrs s SER 139 CO 0.03 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1jrs n GLY 140 N 1.03 -0.21 1.39 7.32 0.00 -0.52 -4.43 105.19 109.77 1jrs n GLY 140 Ca -0.20 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 44.82 1jrs n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jrs n TRP 141 N -0.35 1.55 -1.54 1.61 8.01 -1.26 -2.08 117.44 123.39 1jrs n TRP 141 Ca 0.00 -0.97 -0.30 0.00 -1.31 0.00 0.00 57.50 54.92 1jrs n TRP 141 Cb 0.00 -0.46 0.23 0.00 -2.01 0.00 0.00 31.31 29.07 1jrs n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jrs n GLY 142 N -0.22 -2.06 3.69 6.99 0.00 -1.25 -4.26 105.19 108.09 1jrs n GLY 142 Ca 0.28 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 1jrs n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jrs n ASN 143 N -4.30 2.86 -0.83 1.61 5.15 0.13 -2.68 115.26 117.19 1jrs n ASN 143 Ca 0.16 1.17 0.10 0.00 -0.60 0.00 0.00 54.58 55.41 1jrs n ASN 143 Cb 0.58 -1.47 0.10 0.00 -0.53 0.00 0.00 39.78 38.46 1jrs n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1jrs n THR 144 N 1.20 0.07 -4.89 -0.44 -2.24 -0.08 -0.69 114.28 107.20 1jrs n THR 144 Ca 0.08 -0.54 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 1jrs n THR 144 Cb 0.34 1.36 -0.14 0.00 -2.10 0.00 0.00 70.33 69.78 1jrs n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jrs s LYS 145 N -1.63 2.96 0.40 -0.78 1.02 -1.26 -4.47 119.74 115.98 1jrs s LYS 145 Ca 0.25 -0.72 0.22 0.00 0.02 0.00 0.00 55.97 55.73 1jrs s LYS 145 Cb 0.17 -2.47 0.45 0.00 -0.52 0.00 0.00 37.83 35.45 1jrs s LYS 145 CO 0.25 0.38 1.63 0.66 -0.92 0.00 0.00 175.35 177.35 1jrs h SER 146 N 6.14 0.00 -3.32 2.83 4.64 -1.93 -3.40 113.55 118.51 1jrs h SER 146 Ca -0.33 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.46 1jrs h SER 146 Cb 1.19 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.88 1jrs h SER 146 CO 0.52 0.20 -0.77 -0.44 -0.87 0.00 0.00 176.83 175.48 1jrs s SER 147 N -6.24 3.00 0.00 4.97 0.01 -1.26 -4.63 113.70 109.56 1jrs s SER 147 Ca 0.04 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1jrs s SER 147 Cb 0.07 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.63 1jrs s SER 147 CO 0.68 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1jrs n GLY 148 N 5.00 -2.55 3.12 3.44 0.00 -1.26 -5.03 105.19 107.92 1jrs n GLY 148 Ca -0.09 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 1jrs n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jrs s THR 149 N -0.55 1.36 -0.29 2.61 2.01 -1.26 -4.47 115.64 115.04 1jrs s THR 149 Ca 0.00 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1jrs s THR 149 Cb 0.00 -1.17 0.19 0.00 0.01 0.00 0.00 72.50 71.53 1jrs s THR 149 CO 0.00 0.39 0.57 -0.55 -0.69 0.00 0.00 174.62 174.34 1jrs s SER 150 N 0.02 -1.22 -0.11 3.53 0.15 -1.26 -4.92 113.70 109.88 1jrs s SER 150 Ca -0.03 0.56 -0.14 0.00 0.70 0.00 0.00 55.95 57.04 1jrs s SER 150 Cb -0.11 1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 66.14 1jrs s SER 150 CO 0.02 -0.28 0.33 -0.31 1.20 0.00 0.00 173.24 174.20 1jrs s TYR 151 N 2.81 3.54 0.51 3.44 2.02 -1.26 -0.90 117.35 127.51 1jrs s TYR 151 Ca 0.16 0.72 -0.12 0.00 -0.37 0.00 0.00 57.07 57.46 1jrs s TYR 151 Cb -0.13 -2.33 -0.06 0.00 -0.40 0.00 0.00 41.96 39.04 1jrs s TYR 151 CO -0.22 0.36 0.92 -1.25 -1.57 0.00 0.00 175.55 173.79 1jrs s PRO 152 N 0.01 3.77 -0.04 -1.71 0.04 -1.26 -5.00 135.00 130.81 1jrs s PRO 152 Ca 0.19 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 61.86 1jrs s PRO 152 Cb -0.14 -2.21 -0.29 0.00 0.04 0.00 0.00 34.50 31.90 1jrs s PRO 152 CO 0.07 -0.29 0.69 -0.44 0.04 0.00 0.00 177.00 177.08 1jrs h ASP 153 N 0.60 0.53 -2.13 6.66 3.32 -1.93 -3.47 116.42 120.00 1jrs h ASP 153 Ca -0.46 -0.81 -0.48 0.00 0.02 0.00 0.00 57.03 55.30 1jrs h ASP 153 Cb 1.19 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 1jrs h ASP 153 CO 0.62 1.69 -0.47 0.68 -1.72 0.00 0.00 179.24 180.04 1jrs s VAL 154 N -2.59 4.67 0.12 -1.35 -7.23 -1.26 -0.82 120.40 111.94 1jrs s VAL 154 Ca -0.14 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 58.51 1jrs s VAL 154 Cb 0.06 -3.57 -0.08 0.00 0.56 0.00 0.00 36.38 33.35 1jrs s VAL 154 CO 0.85 -0.31 1.34 -0.22 -0.31 0.00 0.00 175.10 176.45 1jrs s LEU 155 N -3.94 4.38 0.13 1.32 2.96 -1.22 -4.83 118.68 117.48 1jrs s LEU 155 Ca 0.35 2.28 0.05 0.00 -0.22 0.00 0.00 54.13 56.59 1jrs s LEU 155 Cb -0.08 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 1jrs s LEU 155 CO 0.27 -0.60 0.04 -0.54 -1.32 0.00 0.00 176.35 174.20 1jrs s LYS 156 N 0.92 2.61 0.10 1.98 -0.14 -0.88 -1.27 119.74 123.06 1jrs s LYS 156 Ca 0.62 -0.91 0.07 0.00 -1.36 0.00 0.00 55.97 54.39 1jrs s LYS 156 Cb -0.35 -2.53 -0.03 0.00 -1.68 0.00 0.00 37.83 33.24 1jrs s LYS 156 CO 0.31 0.50 -0.17 0.00 -0.76 0.00 0.00 175.35 175.24 1jrs s LEU 158 N -2.03 0.22 -0.15 0.00 2.96 -0.13 -0.79 118.68 118.77 1jrs s LEU 158 Ca 0.05 0.77 -0.16 0.00 -0.22 0.00 0.00 54.13 54.56 1jrs s LEU 158 Cb -0.09 1.19 -0.04 0.00 0.50 0.00 0.00 46.19 47.76 1jrs s LEU 158 CO 0.03 -0.17 0.39 -0.75 -1.32 0.00 0.00 176.35 174.54 1jrs s LYS 159 N 1.00 4.29 -0.06 1.98 2.47 -1.26 -1.11 119.74 127.05 1jrs s LYS 159 Ca -0.07 0.28 -0.11 0.00 -1.56 0.00 0.00 55.97 54.51 1jrs s LYS 159 Cb -0.07 -3.45 0.02 0.00 -1.46 0.00 0.00 37.83 32.88 1jrs s LYS 159 CO -0.08 0.16 0.27 0.00 0.16 0.00 0.00 175.35 175.86 1jrs s ALA 160 N 0.67 -0.67 0.29 3.13 0.00 -0.12 -4.95 121.76 120.10 1jrs s ALA 160 Ca 0.21 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 52.57 1jrs s ALA 160 Cb -0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 1jrs s ALA 160 CO 0.07 -0.19 0.60 -1.25 0.00 0.00 0.00 175.76 175.00 1jrs s PRO 161 N -0.60 3.76 0.11 0.00 0.04 -1.26 -0.64 135.00 136.41 1jrs s PRO 161 Ca -0.07 0.26 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 1jrs s PRO 161 Cb -0.04 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 1jrs s PRO 161 CO 0.02 0.21 1.22 0.42 0.04 0.00 0.00 177.00 178.91 1jrs s ILE 162 N -2.01 3.78 0.54 0.56 1.01 -0.12 -1.42 121.20 123.55 1jrs s ILE 162 Ca 0.48 1.35 -0.03 0.00 0.00 0.00 0.00 60.65 62.44 1jrs s ILE 162 Cb -0.11 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1jrs s ILE 162 CO 0.25 0.15 0.81 -0.76 0.00 0.00 0.00 174.94 175.39 1jrs s LEU 163 N 0.60 3.39 0.67 2.97 1.43 -0.37 -0.07 118.68 127.29 1jrs s LEU 163 Ca 0.57 0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 54.07 1jrs s LEU 163 Cb -0.31 -3.38 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1jrs s LEU 163 CO 0.32 -0.93 1.08 -0.94 0.23 0.00 0.00 176.35 176.11 1jrs s SER 164 N -4.27 5.27 0.36 2.29 1.04 -1.26 -4.67 113.70 112.46 1jrs s SER 164 Ca 0.52 1.83 0.08 0.00 0.48 0.00 0.00 55.95 58.86 1jrs s SER 164 Cb -0.10 -2.53 0.69 0.00 0.10 0.00 0.00 66.02 64.18 1jrs s SER 164 CO 0.42 -1.52 1.87 0.44 0.98 0.00 0.00 173.24 175.44 1jrs h ASP 165 N -0.19 0.28 0.24 7.02 3.32 -1.97 -1.39 116.42 123.72 1jrs h ASP 165 Ca -0.46 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.39 1jrs h ASP 165 Cb 1.23 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1jrs h ASP 165 CO 0.55 0.46 -0.52 0.77 -1.72 0.00 0.00 179.24 178.78 1jrs h SER 166 N 0.28 0.35 0.00 6.45 4.64 -1.98 -0.52 113.55 122.76 1jrs h SER 166 Ca 0.05 -0.18 -0.12 0.00 -0.47 0.00 0.00 61.79 61.07 1jrs h SER 166 Cb 0.44 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1jrs h SER 166 CO 0.03 0.81 -0.38 0.28 -0.87 0.00 0.00 176.83 176.70 1jrs h SER 167 N 0.25 0.51 0.32 4.97 0.02 -1.81 -0.62 113.55 117.19 1jrs h SER 167 Ca 0.01 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1jrs h SER 167 Cb 1.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1jrs h SER 167 CO 0.09 0.84 -0.15 0.00 -1.14 0.00 0.00 176.83 176.47 1jrs h LYS 169 N -0.64 0.00 -0.23 0.00 1.57 -1.07 -1.05 116.57 115.15 1jrs h LYS 169 Ca -0.04 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1jrs h LYS 169 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1jrs h LYS 169 CO 0.07 0.17 -0.49 0.77 -0.57 0.00 0.00 179.45 179.40 1jrs h SER 170 N 0.00 0.67 -0.33 0.86 0.02 -0.92 -2.53 113.55 111.33 1jrs h SER 170 Ca -0.00 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.46 1jrs h SER 170 Cb 0.41 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1jrs h SER 170 CO 0.02 1.05 -0.41 0.00 -1.14 0.00 0.00 176.83 176.36 1jrs h ALA 171 N 0.97 0.49 -2.13 3.77 0.00 -0.54 -3.38 119.26 118.45 1jrs h ALA 171 Ca 0.02 -0.46 -0.57 0.00 0.00 0.00 0.00 54.91 53.90 1jrs h ALA 171 Cb 1.03 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.31 1jrs h ALA 171 CO 0.10 0.60 -0.82 0.66 0.00 0.00 0.00 179.25 179.79 1jrs n TYR 172 N -4.11 2.17 -1.82 0.00 4.01 -0.47 -4.97 117.16 111.97 1jrs n TYR 172 Ca -0.03 -3.92 -0.42 0.00 -0.16 0.00 0.00 57.90 53.36 1jrs n TYR 172 Cb 0.55 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 1jrs n TYR 172 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1jrs s PRO 173 N -2.24 4.16 0.00 -0.72 0.04 -0.95 -1.66 135.00 133.63 1jrs s PRO 173 Ca 0.40 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1jrs s PRO 173 Cb 0.20 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.57 1jrs s PRO 173 CO -0.07 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1jrs n GLY 174 N 3.91 0.85 0.15 0.56 0.00 -1.26 -4.87 105.19 104.53 1jrs n GLY 174 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1jrs n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jrs n GLN 175 N -2.18 2.06 -3.57 1.61 6.02 -0.66 -4.96 117.38 115.70 1jrs n GLN 175 Ca 0.00 -0.52 -0.39 0.00 -0.01 0.00 0.00 57.00 56.08 1jrs n GLN 175 Cb 0.00 -0.98 -0.11 0.00 1.02 0.00 0.00 30.24 30.18 1jrs n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jrs s ILE 176 N -0.96 5.19 0.71 5.09 -1.09 -1.25 -5.04 121.20 123.86 1jrs s ILE 176 Ca 0.05 -0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 1jrs s ILE 176 Cb 0.05 -3.61 0.14 0.00 -1.58 0.00 0.00 42.46 37.46 1jrs s ILE 176 CO 0.15 0.08 0.98 0.35 -1.23 0.00 0.00 174.94 175.26 1jrs n THR 177 N 5.08 0.00 0.55 2.92 -2.24 -1.26 -4.95 114.28 114.37 1jrs n THR 177 Ca -0.13 -1.54 0.06 0.00 -2.27 0.00 0.00 64.05 60.17 1jrs n THR 177 Cb 0.50 -0.90 0.31 0.00 -2.10 0.00 0.00 70.33 68.15 1jrs n THR 177 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jrs n SER 178 N -2.90 0.00 -1.80 3.42 3.41 -1.26 -2.69 113.62 111.79 1jrs n SER 178 Ca 0.16 0.29 0.08 0.00 -0.26 0.00 0.00 58.87 59.14 1jrs n SER 178 Cb 0.58 -0.39 0.39 0.00 -0.26 0.00 0.00 64.21 64.53 1jrs n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jrs n ASN 179 N -1.39 5.44 -4.11 4.04 3.02 -1.26 -4.91 115.26 116.09 1jrs n ASN 179 Ca 0.05 -2.77 -0.13 0.00 -0.03 0.00 0.00 54.58 51.70 1jrs n ASN 179 Cb 0.13 -0.65 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 1jrs n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1jrs s MET 180 N -2.45 0.68 0.05 3.52 -1.94 -1.10 -0.68 119.30 117.38 1jrs s MET 180 Ca 0.54 -0.98 -0.08 0.00 -1.71 0.00 0.00 55.69 53.46 1jrs s MET 180 Cb 0.39 -0.35 -0.00 0.00 2.01 0.00 0.00 34.83 36.88 1jrs s MET 180 CO 0.19 0.05 0.16 -0.59 -0.01 0.00 0.00 175.02 174.83 1jrs s PHE 181 N -2.08 0.12 0.05 -0.03 -0.12 -0.18 -4.80 117.98 110.94 1jrs s PHE 181 Ca -0.02 -0.42 -0.08 0.00 -0.05 0.00 0.00 56.93 56.37 1jrs s PHE 181 Cb -0.05 -0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.21 1jrs s PHE 181 CO -0.01 -0.44 0.34 0.00 -0.05 0.00 0.00 175.22 175.06 1jrs s ALA 183 N -1.38 -0.29 0.00 0.00 0.00 -0.91 -1.24 121.76 117.95 1jrs s ALA 183 Ca 0.31 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.30 1jrs s ALA 183 Cb -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1jrs s ALA 183 CO 0.18 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1jrs n GLY 983 N 2.06 0.55 2.72 0.00 0.00 -0.51 -3.11 105.19 106.90 1jrs n GLY 983 Ca -0.19 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 43.87 1jrs n GLY 983 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jrs s TYR 184 N -2.60 0.49 0.40 1.61 1.51 -1.26 -4.33 117.35 113.18 1jrs s TYR 184 Ca 0.00 -0.15 0.21 0.00 -1.01 0.00 0.00 57.07 56.12 1jrs s TYR 184 Cb 0.00 -0.73 1.16 0.00 -0.11 0.00 0.00 41.96 42.28 1jrs s TYR 184 CO 0.00 -0.34 1.99 -0.07 -1.11 0.00 0.00 175.55 176.02 1jrs h LEU 185 N 8.36 0.00 -1.48 -1.29 -0.00 -1.95 -0.39 115.31 118.56 1jrs h LEU 185 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1jrs h LEU 185 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1jrs h LEU 185 CO 0.24 0.19 0.00 1.05 -0.00 0.00 0.00 178.44 179.92 1jrs h GLU 186 N 0.00 0.00 0.00 1.13 9.09 -1.95 0.23 114.58 123.08 1jrs h GLU 186 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jrs h GLU 186 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1jrs h GLU 186 CO 0.02 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.49 1jrs n GLY 186 N -0.57 -2.07 2.77 1.06 0.00 -0.16 -4.49 105.19 101.73 1jrs n GLY 186 Ca -0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1jrs n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrs n GLY 187 N -0.02 2.97 2.86 -0.02 0.00 -0.03 -4.89 105.19 106.06 1jrs n GLY 187 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1jrs n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrs s LYS 188 N -0.20 0.66 0.05 1.61 1.02 -1.26 -3.87 119.74 117.76 1jrs s LYS 188 Ca 0.00 -0.04 -0.28 0.00 0.02 0.00 0.00 55.97 55.67 1jrs s LYS 188 Cb 0.00 -0.75 0.09 0.00 -0.52 0.00 0.00 37.83 36.66 1jrs s LYS 188 CO 0.00 -0.11 1.10 0.34 -0.92 0.00 0.00 175.35 175.75 1jrs s ASP 189 N 1.02 -0.14 0.79 2.83 2.15 -0.44 -4.39 116.67 118.48 1jrs s ASP 189 Ca -0.10 -0.24 -0.09 0.00 0.43 0.00 0.00 52.55 52.56 1jrs s ASP 189 Cb -0.14 0.33 0.11 0.00 -0.30 0.00 0.00 42.92 42.92 1jrs s ASP 189 CO -0.01 -0.60 1.11 -0.94 -0.17 0.00 0.00 175.17 174.56 1jrs s SER 190 N -2.86 4.24 0.25 -0.34 1.04 -1.26 -0.57 113.70 114.20 1jrs s SER 190 Ca 0.12 0.30 -0.09 0.00 0.48 0.00 0.00 55.95 56.76 1jrs s SER 190 Cb 0.01 -0.72 0.04 0.00 0.10 0.00 0.00 66.02 65.45 1jrs s SER 190 CO -0.02 -1.99 0.49 0.00 0.98 0.00 0.00 173.24 172.71 1jrs n GLN 192 N -0.34 1.74 0.00 0.00 3.00 -1.26 -1.80 117.38 118.71 1jrs n GLN 192 Ca -0.05 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1jrs n GLN 192 Cb 0.38 -2.25 0.00 0.00 0.00 0.00 0.00 30.24 28.37 1jrs n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jrs n GLY 193 N 2.30 3.42 0.14 1.08 0.00 -1.26 -0.69 105.19 110.17 1jrs n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1jrs n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jrs h ASP 194 N 0.00 0.00 -1.62 1.61 3.32 -1.68 -3.31 116.42 114.75 1jrs h ASP 194 Ca 0.00 -0.03 -0.67 0.00 0.02 0.00 0.00 57.03 56.34 1jrs h ASP 194 Cb 0.00 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.63 1jrs h ASP 194 CO 0.00 0.02 0.04 -1.20 -1.72 0.00 0.00 179.24 176.38 1jrs n SER 195 N -2.69 0.53 0.00 6.45 7.64 -1.26 -1.64 113.62 122.66 1jrs n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1jrs n SER 195 Cb 0.52 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1jrs n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jrs n GLY 196 N 1.85 2.47 3.86 0.23 0.00 -0.17 -0.48 105.19 112.94 1jrs n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1jrs n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jrs s GLY 197 N -1.90 1.66 0.33 -0.02 0.00 -0.65 -3.40 107.32 103.35 1jrs s GLY 197 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 44.72 43.64 1jrs s GLY 197 CO 0.00 -0.22 0.84 2.56 0.00 0.00 0.00 173.10 176.28 1jrs s PRO 198 N -5.63 4.25 -0.23 2.90 0.04 -1.26 -1.50 135.00 133.58 1jrs s PRO 198 Ca 0.68 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.71 1jrs s PRO 198 Cb -0.09 -2.55 0.06 0.00 0.04 0.00 0.00 34.50 31.96 1jrs s PRO 198 CO 0.52 0.19 -0.06 0.08 0.04 0.00 0.00 177.00 177.76 1jrs s VAL 199 N -1.85 1.54 -0.16 -0.36 1.01 -0.38 -3.74 120.40 116.46 1jrs s VAL 199 Ca 0.53 -1.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1jrs s VAL 199 Cb -0.13 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1jrs s VAL 199 CO 0.18 -0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 174.43 1jrs s VAL 200 N 1.40 3.03 -0.09 2.92 1.01 -0.36 -0.23 120.40 128.08 1jrs s VAL 200 Ca -0.05 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1jrs s VAL 200 Cb -0.18 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1jrs s VAL 200 CO -0.06 0.50 -0.13 0.00 0.00 0.00 0.00 175.10 175.41 1jrs n SER 202 N 4.15 -3.28 -0.10 0.00 7.64 -1.26 -0.83 113.62 119.94 1jrs n SER 202 Ca -0.20 -0.85 -0.01 0.00 1.01 0.00 0.00 58.87 58.82 1jrs n SER 202 Cb 0.51 -3.63 -0.01 0.00 -1.01 0.00 0.00 64.21 60.07 1jrs n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jrs n GLY 203 N -1.66 0.45 3.18 0.23 0.00 -1.26 -5.01 105.19 101.13 1jrs n GLY 203 Ca -0.07 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1jrs n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jrs s LYS 204 N -1.01 1.30 -0.54 1.61 -0.14 -0.01 -4.11 119.74 116.83 1jrs s LYS 204 Ca 0.00 -0.74 -0.28 0.00 -1.36 0.00 0.00 55.97 53.60 1jrs s LYS 204 Cb 0.00 -1.32 0.00 0.00 -1.68 0.00 0.00 37.83 34.83 1jrs s LYS 204 CO 0.00 0.35 1.58 -1.17 -0.76 0.00 0.00 175.35 175.35 1jrs s LEU 209 N -0.78 3.38 -0.10 3.17 2.96 0.12 -0.77 118.68 126.66 1jrs s LEU 209 Ca 0.06 0.43 0.17 0.00 -0.22 0.00 0.00 54.13 54.57 1jrs s LEU 209 Cb -0.07 -2.98 -0.25 0.00 0.50 0.00 0.00 46.19 43.39 1jrs s LEU 209 CO 0.00 -1.88 0.23 0.00 -1.32 0.00 0.00 176.35 173.38 1jrs n GLN 210 N 8.78 0.87 -4.10 1.98 1.13 0.69 -4.08 117.38 122.64 1jrs n GLN 210 Ca 0.16 -0.09 -0.10 0.00 -1.94 0.00 0.00 57.00 55.03 1jrs n GLN 210 Cb 0.50 -1.44 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 1jrs n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1jrs s GLY 211 N -4.63 0.87 -0.05 1.08 0.00 -0.78 -2.03 107.32 101.78 1jrs s GLY 211 Ca -0.08 -1.33 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1jrs s GLY 211 CO 0.74 -1.24 -0.10 -0.42 0.00 0.00 0.00 173.10 172.09 1jrs s ILE 212 N -4.03 0.91 -0.01 0.90 1.01 -1.14 -1.25 121.20 117.59 1jrs s ILE 212 Ca 0.22 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1jrs s ILE 212 Cb 0.06 -0.85 -0.08 0.00 0.01 0.00 0.00 42.46 41.61 1jrs s ILE 212 CO 0.01 0.30 1.96 -0.69 0.00 0.00 0.00 174.94 176.53 1jrs s VAL 213 N 0.64 3.09 0.04 2.92 1.01 -0.56 -1.47 120.40 126.07 1jrs s VAL 213 Ca -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1jrs s VAL 213 Cb -0.14 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1jrs s VAL 213 CO 0.02 -0.02 -0.01 -0.24 0.00 0.00 0.00 175.10 174.86 1jrs n SER 214 N 8.09 0.48 -3.52 3.32 2.88 -1.01 -1.00 113.62 122.85 1jrs n SER 214 Ca 0.21 0.06 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1jrs n SER 214 Cb 0.42 -0.16 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 1jrs n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1jrs s TRP 215 N -1.43 0.20 0.00 0.66 1.48 -0.90 -4.93 118.94 114.03 1jrs s TRP 215 Ca -0.01 -0.68 0.00 0.00 -1.06 0.00 0.00 56.10 54.36 1jrs s TRP 215 Cb 0.00 0.52 0.00 0.00 -1.16 0.00 0.00 33.47 32.83 1jrs s TRP 215 CO 0.01 -1.27 0.00 0.41 -4.06 0.00 0.00 176.95 172.04 1jrs n GLY 216 N -0.48 -0.09 3.43 3.67 0.00 -1.26 -0.64 105.19 109.83 1jrs n GLY 216 Ca -0.04 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 1jrs n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jrs s SER 217 N 0.00 6.17 0.62 1.61 0.15 -1.26 -4.93 113.70 116.06 1jrs s SER 217 Ca 0.00 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.63 1jrs s SER 217 Cb 0.00 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 1jrs s SER 217 CO 0.00 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1jrs n GLY 219 N 5.17 0.29 2.88 9.45 0.00 -1.26 -4.63 105.19 117.10 1jrs n GLY 219 Ca -0.10 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1jrs n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrs n ALA 921 N 4.28 -0.68 -1.90 0.00 0.00 -1.26 -4.59 120.51 116.36 1jrs n ALA 921 Ca -0.25 0.19 -0.38 0.00 0.00 0.00 0.00 53.44 52.99 1jrs n ALA 921 Cb 0.51 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 1jrs n ALA 921 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jrs s GLN 221 N -5.15 4.57 0.17 0.00 -1.52 -1.26 -0.85 119.66 115.61 1jrs s GLN 221 Ca 0.05 1.22 -0.33 0.00 -1.95 0.00 0.00 55.36 54.34 1jrs s GLN 221 Cb -0.02 -3.04 -0.13 0.00 -0.22 0.00 0.00 33.01 29.59 1jrs s GLN 221 CO 0.06 0.44 1.63 1.17 -0.25 0.00 0.00 175.29 178.34 1jrs n LYS 222 N 1.07 2.36 -1.32 2.91 4.81 -1.26 -2.09 118.16 124.64 1jrs n LYS 222 Ca -0.02 0.85 -0.11 0.00 -0.87 0.00 0.00 58.31 58.16 1jrs n LYS 222 Cb 0.49 -2.65 -0.05 0.00 0.02 0.00 0.00 35.03 32.85 1jrs n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1jrs n ASN 223 N 3.67 -4.81 -3.40 3.14 5.03 0.80 -4.92 115.26 114.79 1jrs n ASN 223 Ca 0.17 0.28 -0.26 0.00 0.87 0.00 0.00 54.58 55.63 1jrs n ASN 223 Cb 0.31 -3.29 -0.09 0.00 -1.02 0.00 0.00 39.78 35.69 1jrs n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jrs n LYS 224 N -2.06 1.14 -1.29 3.52 4.76 -0.89 -4.77 118.16 118.57 1jrs n LYS 224 Ca -0.11 -3.72 -0.29 0.00 -2.87 0.00 0.00 58.31 51.32 1jrs n LYS 224 Cb 0.44 -1.72 0.15 0.00 -1.84 0.00 0.00 35.03 32.06 1jrs n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1jrs s PRO 225 N -1.19 0.96 0.53 1.97 0.04 -1.26 -4.39 135.00 131.67 1jrs s PRO 225 Ca 0.34 0.56 -0.19 0.00 0.04 0.00 0.00 61.00 61.76 1jrs s PRO 225 Cb 0.10 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 1jrs s PRO 225 CO -0.12 -2.38 1.07 0.20 0.04 0.00 0.00 177.00 175.81 1jrs s GLY 226 N -3.61 2.44 -0.05 0.56 0.00 -1.18 -4.59 107.32 100.89 1jrs s GLY 226 Ca 0.64 0.61 0.05 0.00 0.00 0.00 0.00 44.72 46.02 1jrs s GLY 226 CO 0.56 0.94 -0.19 0.14 0.00 0.00 0.00 173.10 174.55 1jrs s VAL 227 N -2.05 2.60 0.03 1.40 1.01 0.19 -2.14 120.40 121.44 1jrs s VAL 227 Ca 0.68 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1jrs s VAL 227 Cb -0.18 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1jrs s VAL 227 CO 0.26 0.58 -0.11 -0.31 0.00 0.00 0.00 175.10 175.53 1jrs s TYR 228 N -0.55 0.96 0.10 5.22 2.02 0.20 -2.11 117.35 123.19 1jrs s TYR 228 Ca 0.08 -0.32 -0.31 0.00 -0.37 0.00 0.00 57.07 56.15 1jrs s TYR 228 Cb -0.11 -0.58 -0.08 0.00 -0.40 0.00 0.00 41.96 40.79 1jrs s TYR 228 CO 0.01 -0.00 1.40 0.99 -1.57 0.00 0.00 175.55 176.37 1jrs s THR 229 N -0.75 3.33 -0.89 -0.71 2.01 -0.54 -1.01 115.64 117.07 1jrs s THR 229 Ca -0.00 0.94 -0.22 0.00 0.31 0.00 0.00 61.69 62.72 1jrs s THR 229 Cb -0.07 -3.60 0.08 0.00 0.01 0.00 0.00 72.50 68.92 1jrs s THR 229 CO 0.01 0.07 1.23 -0.75 -0.69 0.00 0.00 174.62 174.48 1jrs s LYS 230 N 1.24 3.46 0.47 4.92 2.20 0.14 -2.88 119.74 129.30 1jrs s LYS 230 Ca 0.65 -1.17 0.13 0.00 -0.36 0.00 0.00 55.97 55.21 1jrs s LYS 230 Cb -0.36 -4.85 1.10 0.00 -1.51 0.00 0.00 37.83 32.20 1jrs s LYS 230 CO 0.30 -1.98 2.11 0.28 -0.36 0.00 0.00 175.35 175.69 1jrs h VAL 231 N 6.22 1.03 -0.00 4.02 2.07 -1.72 -2.04 116.25 125.85 1jrs h VAL 231 Ca 0.04 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1jrs h VAL 231 Cb 1.03 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1jrs h VAL 231 CO 1.26 0.04 0.00 0.00 0.02 0.00 0.00 177.57 178.89 1jrs n ASN 233 N -3.25 0.12 -0.17 0.00 3.02 -0.76 -3.76 115.26 110.45 1jrs n ASN 233 Ca -0.03 0.52 0.02 0.00 -0.03 0.00 0.00 54.58 55.06 1jrs n ASN 233 Cb 0.07 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 38.72 1jrs n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1jrs n TYR 234 N -1.62 0.03 -0.36 3.10 4.01 0.35 -4.79 117.16 117.88 1jrs n TYR 234 Ca 0.06 -0.10 -0.03 0.00 -0.16 0.00 0.00 57.90 57.67 1jrs n TYR 234 Cb 0.29 -0.01 0.10 0.00 -0.31 0.00 0.00 39.34 39.41 1jrs n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1jrs h VAL 235 N 0.76 1.26 -0.02 -0.72 2.07 -1.63 0.98 116.25 118.95 1jrs h VAL 235 Ca 0.00 -0.54 -0.16 0.00 0.82 0.00 0.00 66.70 66.82 1jrs h VAL 235 Cb 0.25 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1jrs h VAL 235 CO 0.00 0.27 -0.72 0.77 0.02 0.00 0.00 177.57 177.91 1jrs h SER 236 N 1.33 0.17 -0.48 0.57 4.64 -1.88 -0.74 113.55 117.16 1jrs h SER 236 Ca 0.35 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.51 1jrs h SER 236 Cb -0.09 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 1jrs h SER 236 CO -0.07 0.83 0.12 -0.25 -0.87 0.00 0.00 176.83 176.60 1jrs h TRP 237 N 0.09 0.80 0.08 4.77 7.01 -1.66 -0.35 115.95 126.69 1jrs h TRP 237 Ca -0.02 -0.09 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 1jrs h TRP 237 Cb 1.28 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.11 1jrs h TRP 237 CO 0.02 0.72 -0.04 0.82 -2.79 0.00 0.00 178.44 177.16 1jrs h ILE 238 N 0.65 0.92 -0.74 2.65 2.04 -0.61 -0.62 117.51 121.79 1jrs h ILE 238 Ca 0.15 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 1jrs h ILE 238 Cb 0.31 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1jrs h ILE 238 CO 0.00 0.00 0.28 0.11 0.00 0.00 0.00 178.15 178.54 1jrs h LYS 239 N -0.12 1.13 -0.45 2.37 1.57 -0.98 -0.22 116.57 119.87 1jrs h LYS 239 Ca -0.01 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1jrs h LYS 239 Cb 0.09 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1jrs h LYS 239 CO 0.02 0.93 -0.19 1.96 -0.57 0.00 0.00 179.45 181.60 1jrs h GLN 240 N 1.08 0.93 -0.11 3.15 4.20 -0.89 -1.07 115.11 122.40 1jrs h GLN 240 Ca 0.25 -0.40 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 1jrs h GLN 240 Cb 0.24 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1jrs h GLN 240 CO -0.02 1.05 0.01 1.15 -0.67 0.00 0.00 178.83 180.36 1jrs h THR 241 N 0.77 1.24 -0.94 -0.54 2.02 -0.82 -2.50 112.91 112.14 1jrs h THR 241 Ca 0.10 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.57 1jrs h THR 241 Cb 0.76 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.65 1jrs h THR 241 CO 0.06 0.22 0.61 0.40 0.37 0.00 0.00 175.52 177.18 1jrs h ILE 242 N -0.07 1.12 0.00 3.11 2.04 -0.99 -2.02 117.51 120.71 1jrs h ILE 242 Ca 0.03 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1jrs h ILE 242 Cb 0.33 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1jrs h ILE 242 CO 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 178.15 178.34 1jrs h ALA 243 N 1.47 1.01 -0.39 1.87 0.00 -0.98 -2.91 119.26 119.34 1jrs h ALA 243 Ca 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1jrs h ALA 243 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jrs h ALA 243 CO -0.13 0.02 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 1jrs n SER 244 N -3.13 3.18 0.00 0.00 3.41 -0.78 -5.08 113.62 111.22 1jrs n SER 244 Ca -0.00 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 1jrs n SER 244 Cb 0.27 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1jrs n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47