#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1m s VAL 17 N 0.00 5.39 -0.93 1.39 1.01 0.34 -4.22 120.40 123.38 1k1m s VAL 17 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1k1m s VAL 17 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1k1m s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1k1m n GLY 18 N 3.05 1.05 0.00 4.51 0.00 -1.23 -1.67 105.19 110.89 1k1m n GLY 18 Ca -0.16 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1k1m n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1m n GLY 19 N -1.80 1.17 3.16 -0.02 0.00 -1.26 -4.88 105.19 101.56 1k1m n GLY 19 Ca -0.09 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1k1m n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1m s TYR 20 N 1.48 0.35 -0.05 1.61 1.13 0.20 -4.92 117.35 117.14 1k1m s TYR 20 Ca 0.00 -0.83 -0.30 0.00 -1.41 0.00 0.00 57.07 54.53 1k1m s TYR 20 Cb 0.00 -0.22 -0.05 0.00 -1.10 0.00 0.00 41.96 40.58 1k1m s TYR 20 CO 0.00 -0.48 1.58 0.99 -2.51 0.00 0.00 175.55 175.14 1k1m s THR 21 N -3.90 3.64 0.09 -3.49 2.01 -1.26 0.28 115.64 113.01 1k1m s THR 21 Ca 0.07 0.83 -0.22 0.00 0.31 0.00 0.00 61.69 62.68 1k1m s THR 21 Cb 0.06 -3.53 -0.12 0.00 0.01 0.00 0.00 72.50 68.91 1k1m s THR 21 CO -0.10 -0.06 1.69 0.00 -0.69 0.00 0.00 174.62 175.47 1k1m n GLY 23 N -0.94 3.40 3.72 0.00 0.00 -1.26 -4.83 105.19 105.28 1k1m n GLY 23 Ca -0.06 -1.46 -0.60 0.00 0.00 0.00 0.00 46.02 43.90 1k1m n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1m n ALA 24 N 0.41 -0.59 -2.09 4.61 0.00 -1.26 -1.90 120.51 119.69 1k1m n ALA 24 Ca 0.00 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 1k1m n ALA 24 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 1k1m n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k1m n ASN 25 N 4.87 -5.71 0.08 0.00 3.02 -1.26 -4.86 115.26 111.39 1k1m n ASN 25 Ca 0.27 0.19 0.13 0.00 -0.03 0.00 0.00 54.58 55.15 1k1m n ASN 25 Cb 0.08 -4.87 0.39 0.00 -0.61 0.00 0.00 39.78 34.77 1k1m n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k1m n THR 26 N -3.36 0.47 -3.46 3.41 -2.24 -0.80 -3.87 114.28 104.44 1k1m n THR 26 Ca -0.23 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.04 1k1m n THR 26 Cb 0.68 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.35 1k1m n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k1m n VAL 27 N -2.13 1.50 0.18 2.28 0.31 -1.26 -4.97 118.33 114.24 1k1m n VAL 27 Ca 0.05 -4.85 0.11 0.00 -0.01 0.00 0.00 64.34 59.64 1k1m n VAL 27 Cb 0.42 -2.07 0.57 0.00 -0.91 0.00 0.00 33.84 31.85 1k1m n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1k1m h PRO 28 N 4.42 0.00 -0.02 5.55 0.13 -1.79 -1.55 132.00 138.74 1k1m h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1k1m h PRO 28 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1k1m h PRO 28 CO 0.72 0.00 -0.19 2.48 -0.23 0.00 0.00 178.00 180.79 1k1m n TYR 29 N -2.27 0.00 -2.41 1.56 0.18 -1.16 -1.95 117.16 111.12 1k1m n TYR 29 Ca -0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 1k1m n TYR 29 Cb 0.13 -0.02 -0.03 0.00 -0.38 0.00 0.00 39.34 39.04 1k1m n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1k1m s GLN 30 N -2.22 4.45 0.06 -3.48 2.00 -0.59 -1.43 119.66 118.45 1k1m s GLN 30 Ca 0.26 1.80 0.09 0.00 -2.00 0.00 0.00 55.36 55.51 1k1m s GLN 30 Cb 0.19 -3.31 -0.03 0.00 0.80 0.00 0.00 33.01 30.66 1k1m s GLN 30 CO 0.42 -0.20 -0.24 0.08 -0.50 0.00 0.00 175.29 174.85 1k1m s VAL 31 N 0.72 1.99 -0.16 1.34 1.01 -0.65 -4.42 120.40 120.24 1k1m s VAL 31 Ca 0.57 -1.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1k1m s VAL 31 Cb -0.30 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1k1m s VAL 31 CO 0.31 0.26 -0.08 -0.55 0.00 0.00 0.00 175.10 175.04 1k1m s SER 32 N -1.36 4.30 -0.26 3.32 0.15 -0.83 -1.68 113.70 117.34 1k1m s SER 32 Ca 0.10 -0.29 -0.16 0.00 0.70 0.00 0.00 55.95 56.31 1k1m s SER 32 Cb -0.10 -1.69 -0.03 0.00 -1.71 0.00 0.00 66.02 62.49 1k1m s SER 32 CO 0.03 0.12 0.42 -0.76 1.20 0.00 0.00 173.24 174.25 1k1m s LEU 33 N 0.63 4.06 0.01 3.45 1.43 0.81 -0.87 118.68 128.20 1k1m s LEU 33 Ca -0.05 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 1k1m s LEU 33 Cb -0.15 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 1k1m s LEU 33 CO 0.03 -0.20 -0.23 0.21 0.23 0.00 0.00 176.35 176.39 1k1m s ASN 34 N 1.51 2.69 -0.35 2.29 3.84 0.14 -1.64 114.94 123.43 1k1m s ASN 34 Ca 0.18 -0.47 0.14 0.00 0.21 0.00 0.00 52.86 52.92 1k1m s ASN 34 Cb -0.16 -0.27 0.41 0.00 -0.55 0.00 0.00 41.25 40.69 1k1m s ASN 34 CO 0.09 0.24 0.97 -1.54 -2.79 0.00 0.00 177.10 174.08 1k1m n SER 37 N 2.21 0.54 0.00 -4.21 3.41 -1.26 -0.98 113.62 113.34 1k1m n SER 37 Ca -0.16 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1k1m n SER 37 Cb 0.52 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1k1m n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k1m n GLY 38 N -0.04 0.69 3.61 5.00 0.00 -1.26 -4.97 105.19 108.23 1k1m n GLY 38 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1k1m n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1m s TYR 39 N -2.72 -0.06 -0.05 1.61 1.13 -1.26 -5.14 117.35 110.86 1k1m s TYR 39 Ca 0.00 0.02 -0.29 0.00 -1.41 0.00 0.00 57.07 55.39 1k1m s TYR 39 Cb 0.00 0.51 -0.02 0.00 -1.10 0.00 0.00 41.96 41.35 1k1m s TYR 39 CO 0.00 -0.12 0.96 -1.58 -2.51 0.00 0.00 175.55 172.31 1k1m s HIS 40 N -2.22 3.59 0.00 -3.49 5.65 -1.26 -4.24 115.29 113.31 1k1m s HIS 40 Ca 0.12 1.61 0.00 0.00 0.25 0.00 0.00 55.06 57.03 1k1m s HIS 40 Cb 0.01 -3.12 0.00 0.00 -1.18 0.00 0.00 32.58 28.29 1k1m s HIS 40 CO -0.04 -0.10 0.00 1.97 -0.65 0.00 0.00 174.74 175.92 1k1m n PHE 41 N 4.39 0.00 -3.66 3.88 1.16 -0.65 -5.00 117.46 117.58 1k1m n PHE 41 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.56 1k1m n PHE 41 Cb 0.50 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.35 1k1m n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1k1m n GLY 43 N -0.42 2.72 3.87 0.00 0.00 0.41 -0.14 105.19 111.63 1k1m n GLY 43 Ca -0.10 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.67 1k1m n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1m s GLY 44 N -3.39 -0.07 -0.04 -0.02 0.00 -0.68 -3.69 107.32 99.43 1k1m s GLY 44 Ca 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.93 1k1m s GLY 44 CO 0.15 2.85 -0.07 -0.56 0.00 0.00 0.00 173.10 175.48 1k1m s SER 45 N -3.43 1.11 -0.27 1.64 0.01 0.11 -1.63 113.70 111.24 1k1m s SER 45 Ca 0.22 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 1k1m s SER 45 Cb -0.01 -0.49 0.01 0.00 0.21 0.00 0.00 66.02 65.74 1k1m s SER 45 CO 0.02 -0.01 1.12 -0.22 0.41 0.00 0.00 173.24 174.55 1k1m s LEU 46 N 0.71 4.01 -0.00 2.44 2.96 -0.51 -0.39 118.68 127.89 1k1m s LEU 46 Ca -0.11 1.25 0.19 0.00 -0.22 0.00 0.00 54.13 55.24 1k1m s LEU 46 Cb -0.14 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.80 1k1m s LEU 46 CO 0.01 -0.83 0.77 2.30 -1.32 0.00 0.00 176.35 177.28 1k1m n ILE 47 N 5.68 0.00 -3.65 6.68 -5.35 -0.36 -0.42 119.36 121.94 1k1m n ILE 47 Ca 0.13 -0.09 -0.02 0.00 -0.27 0.00 0.00 62.75 62.50 1k1m n ILE 47 Cb 0.46 0.92 -0.01 0.00 -1.74 0.00 0.00 39.64 39.27 1k1m n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k1m s ASN 48 N -2.91 -0.14 0.50 7.28 2.20 -1.20 -4.61 114.94 116.06 1k1m s ASN 48 Ca 0.06 -0.19 0.17 0.00 -0.94 0.00 0.00 52.86 51.96 1k1m s ASN 48 Cb 0.14 0.29 0.93 0.00 -2.00 0.00 0.00 41.25 40.61 1k1m s ASN 48 CO 0.78 -0.52 1.46 0.77 -2.94 0.00 0.00 177.10 176.65 1k1m h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -2.65 113.55 119.13 1k1m h SER 49 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1k1m h SER 49 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1k1m h SER 49 CO 0.27 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.90 1k1m n GLN 50 N -2.41 0.51 -4.40 4.77 7.27 -1.26 0.41 117.38 122.26 1k1m n GLN 50 Ca -0.01 -0.59 -0.22 0.00 0.07 0.00 0.00 57.00 56.26 1k1m n GLN 50 Cb 0.46 -0.66 -0.16 0.00 2.41 0.00 0.00 30.24 32.28 1k1m n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1k1m s TRP 51 N -0.21 1.07 -0.04 3.69 0.52 -1.00 -0.60 118.94 122.36 1k1m s TRP 51 Ca 0.00 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 55.86 1k1m s TRP 51 Cb 0.00 -0.80 -0.02 0.00 -1.15 0.00 0.00 33.47 31.50 1k1m s TRP 51 CO 0.00 -0.18 -0.23 0.08 0.02 0.00 0.00 176.95 176.64 1k1m s VAL 52 N 0.52 2.30 -0.13 4.03 1.01 -0.18 -1.22 120.40 126.72 1k1m s VAL 52 Ca -0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.86 1k1m s VAL 52 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1k1m s VAL 52 CO 0.01 0.58 -0.02 0.54 0.00 0.00 0.00 175.10 176.21 1k1m s VAL 53 N -0.42 4.05 0.00 2.92 0.11 0.47 0.05 120.40 127.58 1k1m s VAL 53 Ca 0.04 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1k1m s VAL 53 Cb -0.12 -2.75 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 1k1m s VAL 53 CO 0.01 0.53 0.00 -0.24 -3.33 0.00 0.00 175.10 172.07 1k1m n SER 54 N 3.09 0.00 -4.88 3.54 2.88 0.30 -0.71 113.62 117.83 1k1m n SER 54 Ca -0.18 -0.43 -0.36 0.00 -1.33 0.00 0.00 58.87 56.57 1k1m n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1k1m n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k1m s ALA 55 N -1.76 3.88 0.43 -1.46 0.00 -1.26 -1.11 121.76 120.48 1k1m s ALA 55 Ca 0.00 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 51.42 1k1m s ALA 55 Cb 0.00 -1.99 0.93 0.00 0.00 0.00 0.00 23.12 22.06 1k1m s ALA 55 CO 0.00 0.64 2.06 0.00 0.00 0.00 0.00 175.76 178.46 1k1m h ALA 56 N 4.55 1.74 0.00 0.00 0.00 -1.70 -1.10 119.26 122.74 1k1m h ALA 56 Ca -0.53 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1k1m h ALA 56 Cb 1.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1k1m h ALA 56 CO 0.62 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.71 1k1m n HIS 57 N -4.46 0.00 1.16 0.00 1.44 -1.26 -1.73 115.22 110.37 1k1m n HIS 57 Ca 0.01 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.85 1k1m n HIS 57 Cb 0.10 -0.16 0.22 0.00 0.12 0.00 0.00 29.99 30.27 1k1m n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k1m n TYR 59 N 0.27 2.15 -3.52 0.00 9.36 -0.71 -4.97 117.16 119.74 1k1m n TYR 59 Ca 0.13 0.35 -0.16 0.00 3.32 0.00 0.00 57.90 61.55 1k1m n TYR 59 Cb 0.45 -2.50 -0.05 0.00 -0.63 0.00 0.00 39.34 36.61 1k1m n TYR 59 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1k1m s LYS 60 N 0.55 0.99 0.43 2.98 2.20 -1.26 -5.15 119.74 120.49 1k1m s LYS 60 Ca 0.77 0.13 -0.06 0.00 -0.36 0.00 0.00 55.97 56.46 1k1m s LYS 60 Cb -0.71 0.47 -0.04 0.00 -1.51 0.00 0.00 37.83 36.04 1k1m s LYS 60 CO 0.42 -0.33 0.73 -1.54 -0.36 0.00 0.00 175.35 174.27 1k1m s SER 61 N -1.41 6.34 -0.57 1.43 1.04 -1.26 -4.41 113.70 114.86 1k1m s SER 61 Ca -0.07 0.90 -0.02 0.00 0.48 0.00 0.00 55.95 57.24 1k1m s SER 61 Cb -0.00 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1k1m s SER 61 CO 0.05 -0.47 0.49 0.61 0.98 0.00 0.00 173.24 174.90 1k1m n GLY 62 N -1.86 0.15 3.71 7.32 0.00 -1.26 -5.01 105.19 108.24 1k1m n GLY 62 Ca 0.00 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 1k1m n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1m s ILE 63 N -3.16 5.24 -0.12 -0.61 1.01 -1.26 -4.59 121.20 117.71 1k1m s ILE 63 Ca 0.10 0.72 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1k1m s ILE 63 Cb -0.04 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 1k1m s ILE 63 CO 0.33 0.34 -0.11 -1.58 0.00 0.00 0.00 174.94 173.92 1k1m s GLN 64 N 0.71 3.34 -0.22 2.79 0.74 -0.15 -1.88 119.66 124.99 1k1m s GLN 64 Ca 0.20 -0.64 -0.12 0.00 0.05 0.00 0.00 55.36 54.85 1k1m s GLN 64 Cb -0.14 -2.67 -0.05 0.00 1.10 0.00 0.00 33.01 31.25 1k1m s GLN 64 CO 0.07 0.28 0.23 0.08 -0.55 0.00 0.00 175.29 175.40 1k1m s VAL 65 N 0.19 5.32 -0.31 1.34 1.01 0.95 -0.68 120.40 128.22 1k1m s VAL 65 Ca -0.06 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1k1m s VAL 65 Cb -0.15 -3.57 0.04 0.00 0.00 0.00 0.00 36.38 32.70 1k1m s VAL 65 CO 0.04 0.34 0.05 -0.13 0.00 0.00 0.00 175.10 175.40 1k1m s ARG 66 N 0.98 2.65 0.27 2.72 0.52 -0.05 -1.40 118.95 124.64 1k1m s ARG 66 Ca 0.11 -1.14 0.03 0.00 -0.52 0.00 0.00 55.73 54.22 1k1m s ARG 66 Cb -0.13 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 1k1m s ARG 66 CO 0.04 -0.59 0.42 -0.51 0.02 0.00 0.00 175.30 174.68 1k1m s LEU 67 N 1.36 4.22 -1.39 2.53 2.01 -0.35 -1.97 118.68 125.10 1k1m s LEU 67 Ca -0.02 0.20 -0.00 0.00 0.01 0.00 0.00 54.13 54.31 1k1m s LEU 67 Cb -0.19 -3.01 0.00 0.00 0.01 0.00 0.00 46.19 43.00 1k1m s LEU 67 CO 0.01 -0.14 0.04 0.61 1.01 0.00 0.00 176.35 177.88 1k1m n GLY 69 N -1.49 -0.30 3.88 -3.19 0.00 -1.26 -2.05 105.19 100.78 1k1m n GLY 69 Ca -0.08 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 1k1m n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1m s GLU 70 N -4.87 3.71 0.00 1.61 0.41 -1.26 -3.99 118.70 114.31 1k1m s GLU 70 Ca 0.02 0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.66 1k1m s GLU 70 Cb -0.01 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.45 1k1m s GLU 70 CO 0.02 0.49 0.00 -3.47 -0.49 0.00 0.00 175.26 171.81 1k1m n ASP 71 N 0.44 0.00 -4.60 -0.19 2.03 -1.26 -4.60 116.55 108.36 1k1m n ASP 71 Ca -0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 1k1m n ASP 71 Cb 0.52 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.90 1k1m n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1k1m s ASN 72 N 1.00 6.68 0.00 1.67 3.84 -1.25 -3.32 114.94 123.56 1k1m s ASN 72 Ca 0.00 0.56 0.21 0.00 0.21 0.00 0.00 52.86 53.84 1k1m s ASN 72 Cb 0.00 -2.54 1.01 0.00 -0.55 0.00 0.00 41.25 39.17 1k1m s ASN 72 CO 0.00 -1.15 1.68 2.30 -2.79 0.00 0.00 177.10 177.14 1k1m n ILE 73 N 6.59 0.43 0.52 -5.21 -5.35 -0.18 -3.38 119.36 112.78 1k1m n ILE 73 Ca 0.11 0.11 0.09 0.00 -0.27 0.00 0.00 62.75 62.79 1k1m n ILE 73 Cb 0.49 -0.75 -0.12 0.00 -1.74 0.00 0.00 39.64 37.51 1k1m n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1k1m n ASN 74 N -1.37 0.75 -4.29 7.28 3.02 -1.26 -4.97 115.26 114.42 1k1m n ASN 74 Ca 0.08 -0.56 -0.30 0.00 -0.03 0.00 0.00 54.58 53.78 1k1m n ASN 74 Cb 0.20 1.36 -0.16 0.00 -0.61 0.00 0.00 39.78 40.58 1k1m n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k1m s VAL 75 N -3.01 1.94 -0.53 2.41 1.01 -1.22 -5.09 120.40 115.91 1k1m s VAL 75 Ca 0.01 -1.10 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 1k1m s VAL 75 Cb 0.13 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.94 1k1m s VAL 75 CO 0.79 0.50 0.86 -0.69 0.00 0.00 0.00 175.10 176.55 1k1m s VAL 76 N -0.62 4.51 -0.59 2.92 1.01 -1.26 -4.77 120.40 121.61 1k1m s VAL 76 Ca 0.10 0.12 0.16 0.00 0.00 0.00 0.00 61.98 62.35 1k1m s VAL 76 Cb -0.09 -4.47 -0.18 0.00 0.00 0.00 0.00 36.38 31.63 1k1m s VAL 76 CO -0.00 -1.02 0.60 -0.62 0.00 0.00 0.00 175.10 174.05 1k1m n GLU 77 N 7.13 1.59 0.00 2.72 1.02 -1.26 -5.10 120.64 126.74 1k1m n GLU 77 Ca -0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1k1m n GLU 77 Cb 0.47 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1k1m n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1m n GLY 78 N 1.41 2.73 2.41 0.62 0.00 -1.26 -5.00 105.19 106.10 1k1m n GLY 78 Ca 0.02 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1k1m n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k1m n ASN 79 N 0.00 0.00 -4.83 1.61 3.02 -1.26 -4.99 115.26 108.80 1k1m n ASN 79 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1k1m n ASN 79 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1k1m n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k1m s GLU 80 N -0.20 3.46 -0.13 3.52 8.01 -1.26 -4.38 118.70 127.73 1k1m s GLU 80 Ca 0.00 0.97 -0.04 0.00 0.01 0.00 0.00 54.97 55.91 1k1m s GLU 80 Cb 0.00 -2.06 0.06 0.00 -4.31 0.00 0.00 34.13 27.82 1k1m s GLU 80 CO 0.00 -0.68 0.21 -0.65 0.01 0.00 0.00 175.26 174.15 1k1m s GLN 81 N -4.56 0.11 -0.30 1.61 -0.21 -0.87 -4.98 119.66 110.46 1k1m s GLN 81 Ca 0.59 0.56 -0.09 0.00 0.02 0.00 0.00 55.36 56.44 1k1m s GLN 81 Cb -0.13 -0.38 -0.01 0.00 1.00 0.00 0.00 33.01 33.49 1k1m s GLN 81 CO 0.44 -0.37 0.13 -0.06 -2.12 0.00 0.00 175.29 173.31 1k1m s PHE 82 N 2.35 3.16 -0.03 0.91 0.08 -1.26 -1.21 117.98 121.98 1k1m s PHE 82 Ca 0.03 -0.59 0.04 0.00 0.12 0.00 0.00 56.93 56.53 1k1m s PHE 82 Cb -0.13 -2.32 -0.00 0.00 -0.57 0.00 0.00 43.02 40.00 1k1m s PHE 82 CO -0.08 -0.45 -0.14 0.42 -0.10 0.00 0.00 175.22 174.87 1k1m s ILE 83 N 1.60 1.17 0.49 0.64 1.01 -0.50 -4.98 121.20 120.64 1k1m s ILE 83 Ca 0.05 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 1k1m s ILE 83 Cb -0.17 -1.01 -0.09 0.00 0.01 0.00 0.00 42.46 41.21 1k1m s ILE 83 CO 0.05 0.34 1.00 -0.44 0.00 0.00 0.00 174.94 175.90 1k1m s SER 84 N -0.04 6.51 -0.03 3.58 0.01 -1.26 -0.03 113.70 122.44 1k1m s SER 84 Ca -0.01 1.78 -0.27 0.00 1.31 0.00 0.00 55.95 58.76 1k1m s SER 84 Cb -0.09 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1k1m s SER 84 CO 0.01 -0.66 0.86 0.00 0.41 0.00 0.00 173.24 173.85 1k1m s ALA 85 N -2.22 3.25 0.02 1.44 0.00 -0.79 -1.02 121.76 122.45 1k1m s ALA 85 Ca 0.64 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.96 1k1m s ALA 85 Cb -0.13 -3.17 -0.26 0.00 0.00 0.00 0.00 23.12 19.56 1k1m s ALA 85 CO 0.22 -0.19 0.93 0.66 0.00 0.00 0.00 175.76 177.38 1k1m h SER 86 N 6.80 0.26 -4.53 0.00 4.64 -0.57 -3.44 113.55 116.69 1k1m h SER 86 Ca -0.41 -0.35 -0.05 0.00 -0.47 0.00 0.00 61.79 60.51 1k1m h SER 86 Cb 1.21 -0.08 -0.20 0.00 -0.31 0.00 0.00 62.40 63.01 1k1m h SER 86 CO 0.75 1.29 0.14 -1.59 -0.87 0.00 0.00 176.83 176.55 1k1m s LYS 87 N -2.64 0.94 -0.19 4.77 -2.85 -1.20 -5.00 119.74 113.58 1k1m s LYS 87 Ca -0.06 0.58 0.01 0.00 -1.00 0.00 0.00 55.97 55.50 1k1m s LYS 87 Cb 0.08 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.32 1k1m s LYS 87 CO 0.84 -0.22 -0.19 -1.12 0.10 0.00 0.00 175.35 174.76 1k1m s SER 88 N -0.46 3.24 -0.51 0.03 0.01 -1.26 -0.85 113.70 113.89 1k1m s SER 88 Ca -0.06 -0.70 -0.10 0.00 1.31 0.00 0.00 55.95 56.41 1k1m s SER 88 Cb -0.02 -1.49 0.13 0.00 0.21 0.00 0.00 66.02 64.85 1k1m s SER 88 CO 0.06 -0.01 0.39 -0.63 0.41 0.00 0.00 173.24 173.45 1k1m s ILE 89 N 1.28 4.35 0.23 1.44 1.01 0.87 -4.96 121.20 125.41 1k1m s ILE 89 Ca 0.04 -1.87 -0.30 0.00 0.00 0.00 0.00 60.65 58.52 1k1m s ILE 89 Cb -0.13 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.40 1k1m s ILE 89 CO -0.12 -0.81 1.00 -0.69 0.00 0.00 0.00 174.94 174.32 1k1m s VAL 90 N 1.23 3.95 0.11 2.92 1.01 -1.26 -1.17 120.40 127.19 1k1m s VAL 90 Ca 0.07 1.90 -0.33 0.00 0.00 0.00 0.00 61.98 63.62 1k1m s VAL 90 Cb -0.25 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 31.79 1k1m s VAL 90 CO -0.01 0.43 1.71 1.57 0.00 0.00 0.00 175.10 178.80 1k1m n HIS 91 N 1.63 2.43 -0.28 5.22 -0.00 -0.69 -4.86 115.22 118.66 1k1m n HIS 91 Ca -0.01 0.09 0.28 0.00 0.46 0.00 0.00 57.72 58.54 1k1m n HIS 91 Cb 0.47 -2.63 0.65 0.00 -0.12 0.00 0.00 29.99 28.36 1k1m n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1k1m h PRO 92 N 7.26 0.15 -0.56 1.57 0.11 -1.93 -1.25 132.00 137.35 1k1m h PRO 92 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1k1m h PRO 92 Cb 1.24 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1k1m h PRO 92 CO 0.92 0.10 0.01 0.43 -0.21 0.00 0.00 178.00 179.25 1k1m n SER 93 N -4.37 5.58 -4.74 -2.05 7.64 -1.26 -4.98 113.62 109.44 1k1m n SER 93 Ca 0.23 -2.96 -0.42 0.00 1.01 0.00 0.00 58.87 56.74 1k1m n SER 93 Cb 1.02 -0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 1k1m n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k1m s TYR 94 N -2.79 3.07 -0.26 1.43 5.04 -0.48 -4.72 117.35 118.65 1k1m s TYR 94 Ca 0.54 0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 56.11 1k1m s TYR 94 Cb 0.41 -3.81 0.03 0.00 0.35 0.00 0.00 41.96 38.95 1k1m s TYR 94 CO 0.15 -2.73 -0.06 1.21 -1.34 0.00 0.00 175.55 172.78 1k1m s ASN 95 N 0.60 4.40 0.48 4.32 3.84 -0.88 -4.99 114.94 122.72 1k1m s ASN 95 Ca 0.62 -0.99 0.33 0.00 0.21 0.00 0.00 52.86 53.02 1k1m s ASN 95 Cb -0.41 -1.66 1.54 0.00 -0.55 0.00 0.00 41.25 40.17 1k1m s ASN 95 CO 0.39 -0.16 1.98 0.77 -2.79 0.00 0.00 177.10 177.29 1k1m h SER 96 N 7.99 0.00 0.07 -4.21 4.64 -1.95 0.47 113.55 120.56 1k1m h SER 96 Ca -0.30 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.79 1k1m h SER 96 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1k1m h SER 96 CO 0.56 0.00 -1.23 0.78 -0.87 0.00 0.00 176.83 176.07 1k1m h ASN 97 N 0.00 0.22 1.00 4.97 -0.26 -1.97 -3.38 115.58 116.16 1k1m h ASN 97 Ca 0.00 -0.78 0.00 0.00 -0.56 0.00 0.00 56.30 54.96 1k1m h ASN 97 Cb 0.26 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.45 1k1m h ASN 97 CO 0.00 1.52 -0.94 0.71 -1.06 0.00 0.00 177.43 177.66 1k1m h THR 98 N -0.57 0.00 -0.66 2.81 1.35 -1.98 -3.47 112.91 110.38 1k1m h THR 98 Ca -0.29 -0.94 -0.24 0.00 -0.55 0.00 0.00 66.41 64.39 1k1m h THR 98 Cb 1.55 1.46 -0.09 0.00 -1.73 0.00 0.00 68.15 69.34 1k1m h THR 98 CO -0.03 0.00 -0.23 0.18 -0.25 0.00 0.00 175.52 175.20 1k1m n LEU 99 N -2.62 -0.92 -4.77 3.87 4.77 0.16 -4.99 117.00 112.50 1k1m n LEU 99 Ca 0.00 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.86 1k1m n LEU 99 Cb 0.54 -1.84 -0.04 0.00 -2.33 0.00 0.00 43.42 39.74 1k1m n LEU 99 CO 0.40 -0.58 0.77 0.21 -1.33 0.00 0.00 177.39 176.85 1k1m s ASN 100 N -2.84 7.03 -1.20 -1.43 2.47 -1.22 -3.13 114.94 114.63 1k1m s ASN 100 Ca 0.00 2.17 -0.06 0.00 0.42 0.00 0.00 52.86 55.38 1k1m s ASN 100 Cb 0.00 -2.61 0.01 0.00 -1.45 0.00 0.00 41.25 37.20 1k1m s ASN 100 CO 0.00 -0.30 1.04 0.59 -3.72 0.00 0.00 177.10 174.70 1k1m n ASN 101 N 0.63 -5.02 -4.18 -4.21 5.03 -1.26 -2.07 115.26 104.17 1k1m n ASN 101 Ca 0.02 -0.51 -0.43 0.00 0.87 0.00 0.00 54.58 54.53 1k1m n ASN 101 Cb 0.47 -4.63 0.00 0.00 -1.02 0.00 0.00 39.78 34.60 1k1m n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1k1m n ASP 102 N -2.68 4.44 -3.80 6.41 2.03 -1.18 -4.40 116.55 117.36 1k1m n ASP 102 Ca -0.06 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.24 1k1m n ASP 102 Cb 0.58 -1.71 -0.12 0.00 -0.72 0.00 0.00 41.12 39.15 1k1m n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k1m s ILE 103 N 3.74 -0.00 0.00 5.18 2.07 -1.26 -3.93 121.20 126.99 1k1m s ILE 103 Ca 0.51 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.76 1k1m s ILE 103 Cb 0.09 -0.26 -0.00 0.00 0.13 0.00 0.00 42.46 42.42 1k1m s ILE 103 CO 0.00 0.01 0.01 -0.32 -1.91 0.00 0.00 174.94 172.73 1k1m s MET 104 N 0.21 0.11 -0.09 3.50 -2.45 -0.27 -1.71 119.30 118.60 1k1m s MET 104 Ca -0.01 -0.15 -0.00 0.00 -1.25 0.00 0.00 55.69 54.28 1k1m s MET 104 Cb -0.02 0.04 -0.03 0.00 1.25 0.00 0.00 34.83 36.07 1k1m s MET 104 CO -0.01 -0.02 -0.07 -0.51 1.05 0.00 0.00 175.02 175.47 1k1m s LEU 105 N -0.40 3.12 -0.12 4.11 1.02 -0.32 -0.54 118.68 125.54 1k1m s LEU 105 Ca -0.04 -0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.05 1k1m s LEU 105 Cb -0.03 -1.70 0.01 0.00 0.02 0.00 0.00 46.19 44.49 1k1m s LEU 105 CO -0.00 0.30 -0.22 -0.63 0.02 0.00 0.00 176.35 175.82 1k1m s ILE 106 N -0.42 1.98 -0.17 -0.59 1.01 0.11 -0.09 121.20 123.02 1k1m s ILE 106 Ca 0.06 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 1k1m s ILE 106 Cb -0.12 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1k1m s ILE 106 CO 0.02 0.54 0.28 -0.75 0.00 0.00 0.00 174.94 175.03 1k1m s LYS 107 N 0.69 4.25 0.35 2.79 2.20 -0.03 -1.02 119.74 128.98 1k1m s LYS 107 Ca -0.11 0.07 -0.25 0.00 -0.36 0.00 0.00 55.97 55.32 1k1m s LYS 107 Cb -0.16 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1k1m s LYS 107 CO 0.01 0.22 0.96 -0.51 -0.36 0.00 0.00 175.35 175.68 1k1m s LEU 108 N 0.52 4.24 0.29 5.43 1.43 0.23 0.11 118.68 130.94 1k1m s LEU 108 Ca 0.16 1.84 -0.01 0.00 -1.03 0.00 0.00 54.13 55.09 1k1m s LEU 108 Cb -0.13 -4.13 0.44 0.00 0.03 0.00 0.00 46.19 42.40 1k1m s LEU 108 CO 0.04 -0.18 1.89 0.50 0.23 0.00 0.00 176.35 178.83 1k1m h LYS 109 N 2.85 0.90 -5.07 1.70 3.64 -1.38 -3.42 116.57 115.80 1k1m h LYS 109 Ca -0.47 -0.13 -0.33 0.00 -1.27 0.00 0.00 60.65 58.45 1k1m h LYS 109 Cb 1.19 -0.17 -0.16 0.00 -0.41 0.00 0.00 32.23 32.69 1k1m h LYS 109 CO 0.64 0.71 -0.72 -1.12 -2.27 0.00 0.00 179.45 176.69 1k1m s SER 110 N -6.49 1.70 0.34 4.20 0.01 -1.26 -4.99 113.70 107.20 1k1m s SER 110 Ca -0.10 -0.92 -0.27 0.00 1.31 0.00 0.00 55.95 55.96 1k1m s SER 110 Cb 0.16 -0.01 -0.09 0.00 0.21 0.00 0.00 66.02 66.29 1k1m s SER 110 CO 0.79 -0.29 1.11 0.00 0.41 0.00 0.00 173.24 175.26 1k1m s ALA 111 N -2.90 3.27 0.50 1.44 0.00 -1.26 -4.83 121.76 117.98 1k1m s ALA 111 Ca 0.12 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1k1m s ALA 111 Cb -0.00 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1k1m s ALA 111 CO 0.01 -0.27 1.03 0.00 0.00 0.00 0.00 175.76 176.52 1k1m s ALA 112 N -1.34 2.88 -0.70 0.00 0.00 0.16 -4.98 121.76 117.78 1k1m s ALA 112 Ca 0.51 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 1k1m s ALA 112 Cb -0.29 -3.23 0.08 0.00 0.00 0.00 0.00 23.12 19.68 1k1m s ALA 112 CO 0.38 -0.35 0.98 0.45 0.00 0.00 0.00 175.76 177.21 1k1m s SER 113 N -2.26 6.24 0.25 0.00 0.15 -1.26 -4.87 113.70 111.95 1k1m s SER 113 Ca 0.65 -1.17 -0.30 0.00 0.70 0.00 0.00 55.95 55.83 1k1m s SER 113 Cb -0.15 -2.41 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 1k1m s SER 113 CO 0.23 -1.37 1.20 -0.76 1.20 0.00 0.00 173.24 173.74 1k1m s LEU 114 N 3.81 4.48 0.00 3.45 1.43 -1.26 -4.79 118.68 125.79 1k1m s LEU 114 Ca 0.23 2.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1k1m s LEU 114 Cb -0.15 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1k1m s LEU 114 CO 0.07 -0.35 0.00 -0.46 0.23 0.00 0.00 176.35 175.84 1k1m n ASN 115 N 1.72 0.00 -0.14 2.29 0.23 -0.07 -4.99 115.26 114.31 1k1m n ASN 115 Ca 0.02 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.95 1k1m n ASN 115 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 1k1m n ASN 115 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1k1m h SER 116 N 0.00 1.00 0.09 0.53 0.87 -2.01 -3.29 113.55 110.74 1k1m h SER 116 Ca 0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1k1m h SER 116 Cb 0.00 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1k1m h SER 116 CO 0.00 1.20 -0.44 0.54 -0.53 0.00 0.00 176.83 177.61 1k1m n ARG 117 N -4.09 0.96 -3.66 2.24 1.74 -1.26 -4.73 116.66 107.87 1k1m n ARG 117 Ca -0.01 -0.73 -0.29 0.00 -0.77 0.00 0.00 57.85 56.06 1k1m n ARG 117 Cb 0.49 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 1k1m n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k1m s VAL 118 N -2.54 0.38 0.06 1.55 1.01 -1.24 -4.39 120.40 115.22 1k1m s VAL 118 Ca 0.20 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 1k1m s VAL 118 Cb 0.18 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1k1m s VAL 118 CO 0.58 -0.54 -0.04 0.00 0.00 0.00 0.00 175.10 175.10 1k1m s ALA 119 N 1.89 0.58 0.40 5.51 0.00 -0.82 -0.89 121.76 128.44 1k1m s ALA 119 Ca 0.06 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 1k1m s ALA 119 Cb -0.17 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1k1m s ALA 119 CO -0.23 -0.30 0.67 -1.54 0.00 0.00 0.00 175.76 174.36 1k1m s SER 120 N -2.73 6.32 0.06 0.00 1.04 -1.26 -2.98 113.70 114.14 1k1m s SER 120 Ca 0.05 0.76 0.03 0.00 0.48 0.00 0.00 55.95 57.27 1k1m s SER 120 Cb 0.05 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1k1m s SER 120 CO -0.07 -0.42 0.03 -0.51 0.98 0.00 0.00 173.24 173.25 1k1m s ILE 121 N -2.48 4.25 0.24 -1.02 1.10 0.44 -4.90 121.20 118.82 1k1m s ILE 121 Ca 0.45 -0.80 -0.25 0.00 -0.51 0.00 0.00 60.65 59.54 1k1m s ILE 121 Cb -0.10 -3.00 -0.09 0.00 0.15 0.00 0.00 42.46 39.42 1k1m s ILE 121 CO 0.39 0.20 0.84 -0.44 -2.11 0.00 0.00 174.94 173.81 1k1m s SER 122 N -2.12 7.32 0.42 4.50 0.01 -1.26 -4.56 113.70 118.01 1k1m s SER 122 Ca 0.25 1.69 -0.21 0.00 1.31 0.00 0.00 55.95 58.99 1k1m s SER 122 Cb -0.12 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.49 1k1m s SER 122 CO 0.17 0.07 0.93 -0.76 0.41 0.00 0.00 173.24 174.06 1k1m s LEU 123 N -1.66 3.97 0.56 2.44 1.43 -1.26 -0.73 118.68 123.42 1k1m s LEU 123 Ca 0.43 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 55.02 1k1m s LEU 123 Cb -0.20 -4.48 -0.05 0.00 0.03 0.00 0.00 46.19 41.49 1k1m s LEU 123 CO 0.25 -0.34 1.07 -2.16 0.23 0.00 0.00 176.35 175.40 1k1m s PRO 124 N -3.12 3.40 0.00 1.29 0.04 -1.26 -4.80 135.00 130.55 1k1m s PRO 124 Ca 0.61 1.33 0.17 0.00 0.04 0.00 0.00 61.00 63.15 1k1m s PRO 124 Cb -0.09 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1k1m s PRO 124 CO 0.14 -0.76 0.81 0.25 0.04 0.00 0.00 177.00 177.48 1k1m n THR 125 N -1.66 0.00 -3.45 1.26 -2.24 -1.26 -4.94 114.28 101.98 1k1m n THR 125 Ca 0.10 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.50 1k1m n THR 125 Cb 0.52 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1k1m n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k1m s SER 127 N -2.22 -0.59 0.53 3.42 1.04 -1.26 -5.16 113.70 109.45 1k1m s SER 127 Ca 0.11 0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.57 1k1m s SER 127 Cb 0.13 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.76 1k1m s SER 127 CO 0.53 -0.86 1.03 0.00 0.98 0.00 0.00 173.24 174.92 1k1m s ALA 129 N -2.24 3.48 0.45 0.00 0.00 -1.26 -5.09 121.76 117.10 1k1m s ALA 129 Ca 0.65 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1k1m s ALA 129 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1k1m s ALA 129 CO 0.27 0.45 0.64 -1.54 0.00 0.00 0.00 175.76 175.58 1k1m s SER 130 N -2.29 5.71 0.45 0.00 1.04 -1.26 -5.03 113.70 112.32 1k1m s SER 130 Ca 0.49 0.05 -0.25 0.00 0.48 0.00 0.00 55.95 56.72 1k1m s SER 130 Cb -0.11 -1.23 -0.09 0.00 0.10 0.00 0.00 66.02 64.70 1k1m s SER 130 CO 0.20 -0.75 1.31 0.00 0.98 0.00 0.00 173.24 174.97 1k1m n ALA 132 N -2.03 1.48 0.00 5.32 0.00 -1.26 -2.45 120.51 121.57 1k1m n ALA 132 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1k1m n ALA 132 Cb 0.58 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1k1m n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k1m n GLY 133 N 0.76 3.03 3.69 0.00 0.00 0.10 -4.95 105.19 107.82 1k1m n GLY 133 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1k1m n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k1m n THR 134 N -0.23 0.06 -2.94 2.61 -1.04 -1.03 -4.54 114.28 107.18 1k1m n THR 134 Ca 0.00 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1k1m n THR 134 Cb 0.00 -1.74 -0.04 0.00 -1.82 0.00 0.00 70.33 66.73 1k1m n THR 134 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1k1m s GLN 135 N 1.30 4.49 0.21 -2.82 2.00 -1.26 -1.14 119.66 122.44 1k1m s GLN 135 Ca 0.79 1.08 0.05 0.00 -2.00 0.00 0.00 55.36 55.28 1k1m s GLN 135 Cb -0.61 -3.43 -0.05 0.00 0.80 0.00 0.00 33.01 29.72 1k1m s GLN 135 CO 0.37 0.09 -0.07 0.00 -0.50 0.00 0.00 175.29 175.18 1k1m s LEU 137 N -3.30 3.16 -0.04 0.00 2.96 0.24 -1.18 118.68 120.52 1k1m s LEU 137 Ca 0.24 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1k1m s LEU 137 Cb 0.03 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 1k1m s LEU 137 CO 0.07 0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.38 1k1m s ILE 138 N 0.83 2.71 0.09 6.68 1.01 0.62 -1.19 121.20 131.94 1k1m s ILE 138 Ca -0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1k1m s ILE 138 Cb -0.14 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1k1m s ILE 138 CO 0.02 0.58 0.12 -0.94 0.00 0.00 0.00 174.94 174.73 1k1m s SER 139 N -0.62 0.24 0.00 3.58 1.04 -1.22 -0.80 113.70 115.91 1k1m s SER 139 Ca 0.09 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1k1m s SER 139 Cb -0.11 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1k1m s SER 139 CO 0.00 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1k1m n GLY 140 N -0.03 -0.38 0.99 7.32 0.00 -0.85 -4.41 105.19 107.84 1k1m n GLY 140 Ca -0.13 -1.17 0.05 0.00 0.00 0.00 0.00 46.02 44.77 1k1m n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k1m n TRP 141 N -0.66 1.04 -1.52 1.61 8.01 -1.26 -2.20 117.44 122.45 1k1m n TRP 141 Ca 0.00 -1.06 -0.30 0.00 -1.31 0.00 0.00 57.50 54.83 1k1m n TRP 141 Cb 0.00 -0.37 0.22 0.00 -2.01 0.00 0.00 31.31 29.15 1k1m n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1k1m s GLY 142 N -2.05 1.70 0.29 6.99 0.00 -1.25 -4.41 107.32 108.60 1k1m s GLY 142 Ca 0.43 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 1k1m s GLY 142 CO 0.07 -0.30 0.98 -2.01 0.00 0.00 0.00 173.10 171.84 1k1m n ASN 143 N -4.31 1.17 -0.23 1.64 5.15 0.11 -2.72 115.26 116.07 1k1m n ASN 143 Ca 0.15 1.17 0.07 0.00 -0.60 0.00 0.00 54.58 55.37 1k1m n ASN 143 Cb 0.59 -1.27 -0.03 0.00 -0.53 0.00 0.00 39.78 38.55 1k1m n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1k1m n THR 144 N 0.18 0.00 -4.57 -0.44 -2.24 0.35 -0.74 114.28 106.82 1k1m n THR 144 Ca 0.10 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.24 1k1m n THR 144 Cb 0.32 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.56 1k1m n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k1m s LYS 145 N -1.91 2.78 0.09 -0.78 1.02 -1.26 -4.38 119.74 115.30 1k1m s LYS 145 Ca 0.10 -0.53 -0.09 0.00 0.02 0.00 0.00 55.97 55.46 1k1m s LYS 145 Cb 0.11 -2.62 -0.19 0.00 -0.52 0.00 0.00 37.83 34.61 1k1m s LYS 145 CO 0.42 0.67 1.21 0.77 -0.92 0.00 0.00 175.35 177.50 1k1m h SER 146 N 5.18 0.70 -3.75 2.83 0.02 -1.94 -3.39 113.55 113.20 1k1m h SER 146 Ca -0.49 -0.60 -0.63 0.00 -0.84 0.00 0.00 61.79 59.23 1k1m h SER 146 Cb 1.18 -0.22 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 1k1m h SER 146 CO 0.53 1.41 -0.61 -0.44 -1.14 0.00 0.00 176.83 176.58 1k1m s SER 147 N -7.22 4.50 0.00 3.07 0.01 -1.26 -4.69 113.70 108.11 1k1m s SER 147 Ca -0.07 -3.40 0.00 0.00 1.31 0.00 0.00 55.95 53.79 1k1m s SER 147 Cb 0.07 -1.61 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1k1m s SER 147 CO 0.90 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 175.00 1k1m n GLY 148 N 2.59 0.80 2.76 3.44 0.00 -1.26 -5.07 105.19 108.45 1k1m n GLY 148 Ca 0.12 -2.02 -0.21 0.00 0.00 0.00 0.00 46.02 43.91 1k1m n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1m s THR 149 N -1.72 0.22 -0.17 2.61 2.01 -1.26 -4.62 115.64 112.71 1k1m s THR 149 Ca 0.00 0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.12 1k1m s THR 149 Cb 0.00 -0.39 0.08 0.00 0.01 0.00 0.00 72.50 72.21 1k1m s THR 149 CO 0.00 0.21 0.34 -0.55 -0.69 0.00 0.00 174.62 173.93 1k1m s SER 150 N 1.75 0.13 -0.14 3.53 0.15 -1.26 -4.97 113.70 112.89 1k1m s SER 150 Ca 0.01 0.69 -0.04 0.00 0.70 0.00 0.00 55.95 57.31 1k1m s SER 150 Cb -0.13 1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 65.15 1k1m s SER 150 CO -0.04 -0.25 -0.02 -0.31 1.20 0.00 0.00 173.24 173.83 1k1m s TYR 151 N 2.51 3.08 0.64 3.44 2.02 -1.26 -0.50 117.35 127.29 1k1m s TYR 151 Ca 0.01 -0.14 -0.10 0.00 -0.37 0.00 0.00 57.07 56.48 1k1m s TYR 151 Cb -0.13 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1k1m s TYR 151 CO -0.11 0.10 1.03 -1.25 -1.57 0.00 0.00 175.55 173.74 1k1m s PRO 152 N 0.10 3.20 -0.12 -1.71 0.04 -1.26 -5.01 135.00 130.25 1k1m s PRO 152 Ca 0.01 0.50 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 1k1m s PRO 152 Cb -0.13 -2.10 -0.26 0.00 0.04 0.00 0.00 34.50 32.05 1k1m s PRO 152 CO 0.02 -0.76 0.38 -0.25 0.04 0.00 0.00 177.00 176.43 1k1m n ASP 153 N -2.81 2.10 -4.92 6.66 8.00 -1.26 -4.91 116.55 119.41 1k1m n ASP 153 Ca 0.06 0.22 -0.21 0.00 0.71 0.00 0.00 54.79 55.57 1k1m n ASP 153 Cb 0.56 -0.85 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 1k1m n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1k1m s VAL 154 N -2.56 4.69 0.17 2.53 -7.23 -1.26 -1.01 120.40 115.73 1k1m s VAL 154 Ca -0.22 -1.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.51 1k1m s VAL 154 Cb 0.07 -3.60 -0.09 0.00 0.56 0.00 0.00 36.38 33.31 1k1m s VAL 154 CO 0.77 -0.29 1.46 -0.22 -0.31 0.00 0.00 175.10 176.51 1k1m s LEU 155 N -3.98 4.38 0.03 1.32 2.96 -1.21 -4.86 118.68 117.32 1k1m s LEU 155 Ca 0.36 2.51 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 1k1m s LEU 155 Cb -0.08 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1k1m s LEU 155 CO 0.28 -0.71 0.07 -0.54 -1.32 0.00 0.00 176.35 174.12 1k1m s LYS 156 N 0.69 2.94 0.19 1.98 -0.14 -0.93 -1.93 119.74 122.54 1k1m s LYS 156 Ca 0.65 -0.60 0.09 0.00 -1.36 0.00 0.00 55.97 54.76 1k1m s LYS 156 Cb -0.40 -2.77 -0.04 0.00 -1.68 0.00 0.00 37.83 32.93 1k1m s LYS 156 CO 0.34 0.61 -0.19 0.00 -0.76 0.00 0.00 175.35 175.35 1k1m s LEU 158 N -2.88 -0.12 -0.22 0.00 2.96 0.02 -0.63 118.68 117.81 1k1m s LEU 158 Ca 0.20 0.95 -0.09 0.00 -0.22 0.00 0.00 54.13 54.97 1k1m s LEU 158 Cb -0.05 1.47 -0.05 0.00 0.50 0.00 0.00 46.19 48.06 1k1m s LEU 158 CO 0.09 -0.19 0.12 -0.54 -1.32 0.00 0.00 176.35 174.50 1k1m s LYS 159 N 1.27 4.02 -0.05 1.98 1.02 -1.26 -0.28 119.74 126.45 1k1m s LYS 159 Ca -0.08 -0.30 -0.10 0.00 0.02 0.00 0.00 55.97 55.51 1k1m s LYS 159 Cb -0.07 -3.41 0.02 0.00 -0.52 0.00 0.00 37.83 33.85 1k1m s LYS 159 CO -0.12 0.14 0.23 0.00 -0.92 0.00 0.00 175.35 174.68 1k1m s ALA 160 N 0.80 -0.57 0.36 5.17 0.00 -0.32 -4.95 121.76 122.25 1k1m s ALA 160 Ca 0.06 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.31 1k1m s ALA 160 Cb -0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 1k1m s ALA 160 CO 0.02 -0.18 0.68 -1.25 0.00 0.00 0.00 175.76 175.03 1k1m s PRO 161 N -0.66 3.69 0.05 0.00 0.04 -1.26 -0.68 135.00 136.18 1k1m s PRO 161 Ca -0.08 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 1k1m s PRO 161 Cb -0.04 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1k1m s PRO 161 CO 0.02 0.05 1.00 0.42 0.04 0.00 0.00 177.00 178.53 1k1m s ILE 162 N -2.29 4.64 0.69 0.56 1.01 -0.29 -2.00 121.20 123.52 1k1m s ILE 162 Ca 0.48 2.00 -0.06 0.00 0.00 0.00 0.00 60.65 63.07 1k1m s ILE 162 Cb -0.10 -4.28 0.06 0.00 0.01 0.00 0.00 42.46 38.15 1k1m s ILE 162 CO 0.32 0.21 0.99 -0.76 0.00 0.00 0.00 174.94 175.70 1k1m s LEU 163 N 0.62 2.87 0.48 2.97 1.43 -0.08 0.03 118.68 127.00 1k1m s LEU 163 Ca 0.51 0.39 -0.20 0.00 -1.03 0.00 0.00 54.13 53.80 1k1m s LEU 163 Cb -0.23 -3.07 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 1k1m s LEU 163 CO 0.29 -1.55 1.01 -0.94 0.23 0.00 0.00 176.35 175.39 1k1m s SER 164 N -4.51 6.50 0.46 2.29 1.04 -1.26 -4.60 113.70 113.62 1k1m s SER 164 Ca 0.60 1.83 0.12 0.00 0.48 0.00 0.00 55.95 58.98 1k1m s SER 164 Cb -0.11 -2.55 1.04 0.00 0.10 0.00 0.00 66.02 64.50 1k1m s SER 164 CO 0.44 -0.67 2.08 0.44 0.98 0.00 0.00 173.24 176.51 1k1m h ASP 165 N 1.56 0.22 0.03 7.02 3.45 -1.97 -0.56 116.42 126.16 1k1m h ASP 165 Ca -0.49 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 56.96 1k1m h ASP 165 Cb 1.21 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 1k1m h ASP 165 CO 0.60 0.19 -0.01 0.77 -1.57 0.00 0.00 179.24 179.21 1k1m h SER 166 N 0.25 -0.03 -0.15 6.45 4.64 -1.98 -0.80 113.55 121.92 1k1m h SER 166 Ca 0.06 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1k1m h SER 166 Cb 0.03 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1k1m h SER 166 CO -0.01 0.21 0.09 0.28 -0.87 0.00 0.00 176.83 176.53 1k1m h SER 167 N -0.27 0.15 -0.38 4.97 0.02 -1.84 -0.41 113.55 115.79 1k1m h SER 167 Ca -0.00 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 1k1m h SER 167 Cb 0.25 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.68 1k1m h SER 167 CO 0.01 0.11 -0.13 0.00 -1.14 0.00 0.00 176.83 175.68 1k1m h LYS 169 N -0.05 0.00 -0.03 0.00 1.57 -0.81 -1.60 116.57 115.66 1k1m h LYS 169 Ca 0.19 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.78 1k1m h LYS 169 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1k1m h LYS 169 CO -0.42 0.16 -0.80 0.77 -0.57 0.00 0.00 179.45 178.59 1k1m h SER 170 N 0.00 0.33 -0.18 0.86 0.02 0.39 -2.81 113.55 112.15 1k1m h SER 170 Ca -0.00 -0.24 -0.22 0.00 -0.84 0.00 0.00 61.79 60.50 1k1m h SER 170 Cb 0.64 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.09 1k1m h SER 170 CO 0.02 1.00 -0.73 0.00 -1.14 0.00 0.00 176.83 175.97 1k1m h ALA 171 N 0.99 0.33 -2.35 3.77 0.00 -0.64 -3.38 119.26 117.98 1k1m h ALA 171 Ca -0.04 -0.58 -0.59 0.00 0.00 0.00 0.00 54.91 53.70 1k1m h ALA 171 Cb 1.39 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.75 1k1m h ALA 171 CO 0.13 0.68 -0.77 0.66 0.00 0.00 0.00 179.25 179.94 1k1m n TYR 172 N -3.96 1.92 -1.68 0.00 4.01 -0.65 -4.96 117.16 111.85 1k1m n TYR 172 Ca -0.07 -3.92 -0.46 0.00 -0.16 0.00 0.00 57.90 53.29 1k1m n TYR 172 Cb 0.72 -0.41 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 1k1m n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1k1m n PRO 173 N 1.49 2.35 -0.93 -0.72 -0.02 -1.06 -2.21 135.00 133.90 1k1m n PRO 173 Ca 0.26 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1k1m n PRO 173 Cb 0.44 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 1k1m n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k1m n GLY 174 N 3.91 0.40 0.07 -1.23 0.00 -1.26 -4.83 105.19 102.26 1k1m n GLY 174 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 1k1m n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1m n GLN 175 N -1.61 3.68 -3.47 1.61 6.02 -0.94 -4.96 117.38 117.71 1k1m n GLN 175 Ca 0.00 -0.25 -0.40 0.00 -0.01 0.00 0.00 57.00 56.34 1k1m n GLN 175 Cb 0.13 -0.85 -0.10 0.00 1.02 0.00 0.00 30.24 30.44 1k1m n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1m s ILE 176 N -1.18 5.23 0.56 5.09 -1.09 -1.24 -5.04 121.20 123.53 1k1m s ILE 176 Ca 0.03 -0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.48 1k1m s ILE 176 Cb 0.04 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.24 1k1m s ILE 176 CO 0.17 -0.02 0.78 0.42 -1.23 0.00 0.00 174.94 175.06 1k1m s THR 177 N 1.87 2.42 -1.55 2.92 -4.23 -1.26 -4.98 115.64 110.83 1k1m s THR 177 Ca 0.09 -0.87 0.14 0.00 -1.18 0.00 0.00 61.69 59.88 1k1m s THR 177 Cb -0.17 -2.55 0.29 0.00 1.34 0.00 0.00 72.50 71.40 1k1m s THR 177 CO 0.11 0.00 1.37 -1.54 -0.54 0.00 0.00 174.62 174.02 1k1m n SER 178 N -2.29 0.00 -1.53 3.99 3.41 -1.26 -2.37 113.62 113.57 1k1m n SER 178 Ca 0.13 -0.04 0.04 0.00 -0.26 0.00 0.00 58.87 58.74 1k1m n SER 178 Cb 0.60 -0.22 0.32 0.00 -0.26 0.00 0.00 64.21 64.65 1k1m n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k1m n ASN 179 N -1.22 4.69 -4.08 4.04 3.02 -1.26 -4.91 115.26 115.54 1k1m n ASN 179 Ca 0.08 -3.09 -0.08 0.00 -0.03 0.00 0.00 54.58 51.46 1k1m n ASN 179 Cb 0.10 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.52 1k1m n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1k1m s MET 180 N -2.88 0.59 0.00 3.52 -1.94 -1.00 -0.94 119.30 116.65 1k1m s MET 180 Ca 0.50 -1.11 -0.16 0.00 -1.71 0.00 0.00 55.69 53.21 1k1m s MET 180 Cb 0.40 0.11 0.03 0.00 2.01 0.00 0.00 34.83 37.38 1k1m s MET 180 CO 0.12 -0.08 0.35 -0.59 -0.01 0.00 0.00 175.02 174.81 1k1m s PHE 181 N -3.34 -0.22 0.10 -0.03 -0.12 -0.29 -4.78 117.98 109.30 1k1m s PHE 181 Ca 0.03 0.28 -0.04 0.00 -0.05 0.00 0.00 56.93 57.15 1k1m s PHE 181 Cb 0.04 0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1k1m s PHE 181 CO -0.07 -0.45 0.31 0.00 -0.05 0.00 0.00 175.22 174.95 1k1m s ALA 183 N -1.56 -1.13 0.00 0.00 0.00 -0.62 -0.90 121.76 117.54 1k1m s ALA 183 Ca 0.37 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.62 1k1m s ALA 183 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1k1m s ALA 183 CO 0.24 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1k1m n GLY 184 N 2.81 0.71 2.98 0.00 0.00 -0.85 -2.46 105.19 108.38 1k1m n GLY 184 Ca -0.13 -1.65 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1k1m n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k1m s TYR 184 N -3.62 1.51 0.35 1.61 1.51 -1.26 -4.47 117.35 112.99 1k1m s TYR 184 Ca 0.00 -0.66 0.29 0.00 -1.01 0.00 0.00 57.07 55.68 1k1m s TYR 184 Cb 0.00 -1.17 1.41 0.00 -0.11 0.00 0.00 41.96 42.09 1k1m s TYR 184 CO 0.00 -0.40 2.04 -0.07 -1.11 0.00 0.00 175.55 176.01 1k1m h LEU 185 N 7.53 0.00 -0.05 -1.29 3.38 -1.94 -1.56 115.31 121.38 1k1m h LEU 185 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1k1m h LEU 185 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1k1m h LEU 185 CO 0.45 0.12 0.00 -1.84 0.09 0.00 0.00 178.44 177.26 1k1m n GLU 186 N -3.50 0.02 0.00 1.13 0.00 -1.26 0.22 120.64 117.25 1k1m n GLU 186 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1k1m n GLU 186 Cb 0.27 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 30.17 1k1m n GLU 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1k1m n GLY 187 N 0.51 -2.24 2.60 -1.84 0.00 -0.59 -4.59 105.19 99.04 1k1m n GLY 187 Ca 0.05 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1k1m n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1m n GLY 188 N -0.70 2.61 2.69 -0.02 0.00 -0.16 -4.93 105.19 104.69 1k1m n GLY 188 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1k1m n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1m s LYS 188 N -0.23 0.01 0.01 1.61 1.02 -1.26 -3.55 119.74 117.34 1k1m s LYS 188 Ca 0.00 0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.96 1k1m s LYS 188 Cb 0.00 -0.92 0.10 0.00 -0.52 0.00 0.00 37.83 36.49 1k1m s LYS 188 CO 0.00 -0.46 1.12 0.34 -0.92 0.00 0.00 175.35 175.43 1k1m s ASP 189 N 2.20 -0.15 0.67 2.83 2.15 -0.67 -4.05 116.67 119.65 1k1m s ASP 189 Ca 0.04 -0.18 -0.09 0.00 0.43 0.00 0.00 52.55 52.75 1k1m s ASP 189 Cb -0.14 0.29 0.02 0.00 -0.30 0.00 0.00 42.92 42.80 1k1m s ASP 189 CO -0.06 -0.52 1.02 -0.94 -0.17 0.00 0.00 175.17 174.51 1k1m s SER 190 N -2.76 5.33 0.35 -0.34 1.04 -1.26 -0.50 113.70 115.56 1k1m s SER 190 Ca 0.11 0.87 -0.05 0.00 0.48 0.00 0.00 55.95 57.36 1k1m s SER 190 Cb 0.01 -1.69 0.02 0.00 0.10 0.00 0.00 66.02 64.46 1k1m s SER 190 CO -0.03 -1.32 0.55 0.00 0.98 0.00 0.00 173.24 173.42 1k1m n GLN 192 N -0.54 1.22 0.00 0.00 6.02 -1.26 -1.11 117.38 121.71 1k1m n GLN 192 Ca -0.02 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1k1m n GLN 192 Cb 0.56 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.97 1k1m n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k1m n GLY 193 N 1.64 3.17 0.12 1.08 0.00 -1.26 0.05 105.19 109.99 1k1m n GLY 193 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1k1m n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k1m h ASP 194 N 0.00 0.00 -1.50 1.61 3.32 -1.43 -3.32 116.42 115.10 1k1m h ASP 194 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1k1m h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1k1m h ASP 194 CO 0.00 0.12 -0.24 -1.20 -1.72 0.00 0.00 179.24 176.21 1k1m n SER 195 N -2.77 -0.22 0.00 6.45 7.64 -1.26 -0.99 113.62 122.46 1k1m n SER 195 Ca -0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1k1m n SER 195 Cb 0.61 -1.07 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1k1m n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1m n GLY 196 N 1.74 3.08 3.56 0.23 0.00 -0.08 -0.45 105.19 113.27 1k1m n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1k1m n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1m s GLY 197 N -1.60 1.57 0.47 -0.02 0.00 -0.17 -3.46 107.32 104.12 1k1m s GLY 197 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 44.72 44.46 1k1m s GLY 197 CO 0.00 0.57 0.96 2.56 0.00 0.00 0.00 173.10 177.19 1k1m s PRO 198 N -4.60 4.06 -0.33 2.90 0.04 -1.26 -1.33 135.00 134.47 1k1m s PRO 198 Ca 0.67 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1k1m s PRO 198 Cb -0.23 -2.17 0.11 0.00 0.04 0.00 0.00 34.50 32.25 1k1m s PRO 198 CO 0.62 -0.16 0.13 0.08 0.04 0.00 0.00 177.00 177.71 1k1m s VAL 199 N -2.43 0.75 -0.23 -0.36 1.01 -0.78 -3.46 120.40 114.91 1k1m s VAL 199 Ca 0.60 -1.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 1k1m s VAL 199 Cb -0.10 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1k1m s VAL 199 CO 0.24 -0.73 0.09 -0.69 0.00 0.00 0.00 175.10 174.01 1k1m s VAL 200 N 1.50 4.76 -0.14 2.92 1.01 -0.34 -1.24 120.40 128.87 1k1m s VAL 200 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1k1m s VAL 200 Cb -0.18 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1k1m s VAL 200 CO -0.22 0.37 -0.13 0.00 0.00 0.00 0.00 175.10 175.12 1k1m n SER 202 N 4.77 -3.96 -0.53 0.00 7.64 -1.26 -1.65 113.62 118.63 1k1m n SER 202 Ca -0.17 -0.70 -0.07 0.00 1.01 0.00 0.00 58.87 58.94 1k1m n SER 202 Cb 0.50 -4.42 -0.03 0.00 -1.01 0.00 0.00 64.21 59.25 1k1m n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1m n GLY 203 N -1.67 0.85 3.11 0.23 0.00 -1.26 -5.00 105.19 101.44 1k1m n GLY 203 Ca -0.10 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1k1m n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1m s LYS 204 N -2.22 1.44 -0.62 1.61 -0.14 -0.66 -4.03 119.74 115.13 1k1m s LYS 204 Ca 0.00 -0.53 -0.27 0.00 -1.36 0.00 0.00 55.97 53.81 1k1m s LYS 204 Cb 0.00 -1.31 0.00 0.00 -1.68 0.00 0.00 37.83 34.84 1k1m s LYS 204 CO 0.00 0.24 1.60 -1.17 -0.76 0.00 0.00 175.35 175.26 1k1m s LEU 209 N -0.05 3.29 -0.07 3.17 2.96 0.09 -1.01 118.68 127.06 1k1m s LEU 209 Ca -0.01 0.16 0.18 0.00 -0.22 0.00 0.00 54.13 54.24 1k1m s LEU 209 Cb -0.09 -2.70 -0.23 0.00 0.50 0.00 0.00 46.19 43.66 1k1m s LEU 209 CO 0.01 -2.05 0.43 0.00 -1.32 0.00 0.00 176.35 173.42 1k1m n GLN 210 N 9.09 0.66 -4.08 1.98 1.13 -0.38 -4.10 117.38 121.68 1k1m n GLN 210 Ca 0.14 0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 55.14 1k1m n GLN 210 Cb 0.50 -1.63 -0.08 0.00 0.11 0.00 0.00 30.24 29.14 1k1m n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1k1m s GLY 211 N -5.04 0.87 -0.06 1.08 0.00 -0.97 -1.80 107.32 101.39 1k1m s GLY 211 Ca -0.07 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.44 1k1m s GLY 211 CO 0.84 -1.07 -0.13 -0.42 0.00 0.00 0.00 173.10 172.32 1k1m s ILE 212 N -4.05 1.18 -0.00 0.90 1.01 -1.08 -1.86 121.20 117.29 1k1m s ILE 212 Ca 0.26 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 1k1m s ILE 212 Cb 0.04 -1.07 -0.09 0.00 0.01 0.00 0.00 42.46 41.36 1k1m s ILE 212 CO 0.05 0.36 2.00 0.52 0.00 0.00 0.00 174.94 177.88 1k1m n VAL 213 N 3.71 0.71 0.00 2.92 0.31 -0.44 -1.48 118.33 124.06 1k1m n VAL 213 Ca -0.22 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1k1m n VAL 213 Cb 0.52 -2.32 0.00 0.00 -0.91 0.00 0.00 33.84 31.13 1k1m n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k1m n SER 214 N 8.01 0.00 -1.70 4.52 2.88 -1.14 -0.91 113.62 125.28 1k1m n SER 214 Ca 0.22 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.71 1k1m n SER 214 Cb 0.40 -0.12 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 1k1m n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1k1m n TRP 215 N -2.26 -0.86 0.00 0.66 4.27 -0.82 -4.90 117.44 113.53 1k1m n TRP 215 Ca 0.00 -0.82 0.00 0.00 -3.89 0.00 0.00 57.50 52.79 1k1m n TRP 215 Cb 0.00 0.21 0.00 0.00 -1.36 0.00 0.00 31.31 30.16 1k1m n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1k1m n GLY 216 N -0.20 1.91 3.50 -1.67 0.00 -1.26 -0.69 105.19 106.76 1k1m n GLY 216 Ca -0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1k1m n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k1m s SER 217 N 0.00 6.23 0.39 1.61 0.15 -1.26 -4.86 113.70 115.96 1k1m s SER 217 Ca 0.00 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.98 1k1m s SER 217 Cb 0.00 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1k1m s SER 217 CO 0.00 -1.46 0.00 0.61 1.20 0.00 0.00 173.24 173.59 1k1m n GLY 219 N 5.27 0.09 2.84 9.45 0.00 -1.26 -4.60 105.19 116.98 1k1m n GLY 219 Ca -0.01 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 1k1m n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1m n ALA 221 N 4.06 -0.62 -1.82 0.00 0.00 -1.26 -4.65 120.51 116.22 1k1m n ALA 221 Ca -0.26 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.01 1k1m n ALA 221 Cb 0.52 -1.73 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 1k1m n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k1m s GLN 221 N -4.67 4.19 0.20 0.00 -1.52 -1.26 -0.99 119.66 115.61 1k1m s GLN 221 Ca 0.00 1.10 -0.32 0.00 -1.95 0.00 0.00 55.36 54.19 1k1m s GLN 221 Cb 0.00 -2.17 -0.12 0.00 -0.22 0.00 0.00 33.01 30.50 1k1m s GLN 221 CO 0.00 -0.07 1.74 0.21 -0.25 0.00 0.00 175.29 176.92 1k1m s LYS 222 N -3.31 4.12 -1.38 2.91 2.47 -1.26 -2.37 119.74 120.92 1k1m s LYS 222 Ca 0.62 2.61 0.00 0.00 -1.56 0.00 0.00 55.97 57.64 1k1m s LYS 222 Cb -0.09 -3.13 0.00 0.00 -1.46 0.00 0.00 37.83 33.15 1k1m s LYS 222 CO 0.16 -0.77 0.00 0.09 0.16 0.00 0.00 175.35 174.99 1k1m n ASN 223 N 4.18 -5.28 -3.64 1.43 3.02 0.13 -4.93 115.26 110.18 1k1m n ASN 223 Ca 0.16 0.32 -0.27 0.00 -0.03 0.00 0.00 54.58 54.76 1k1m n ASN 223 Cb 0.35 -3.92 -0.11 0.00 -0.61 0.00 0.00 39.78 35.49 1k1m n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1m n LYS 224 N -1.67 1.14 -1.37 3.52 4.76 -1.00 -4.77 118.16 118.78 1k1m n LYS 224 Ca -0.13 -3.91 -0.29 0.00 -2.87 0.00 0.00 58.31 51.11 1k1m n LYS 224 Cb 0.55 -1.99 0.17 0.00 -1.84 0.00 0.00 35.03 31.92 1k1m n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1k1m s PRO 225 N -0.87 0.38 0.32 1.97 0.04 -1.26 -4.28 135.00 131.31 1k1m s PRO 225 Ca 0.29 0.22 -0.23 0.00 0.04 0.00 0.00 61.00 61.32 1k1m s PRO 225 Cb 0.01 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 1k1m s PRO 225 CO -0.17 -2.70 0.89 0.20 0.04 0.00 0.00 177.00 175.26 1k1m s GLY 226 N -3.90 2.66 -0.13 0.56 0.00 -1.03 -4.54 107.32 100.94 1k1m s GLY 226 Ca 0.67 0.40 -0.03 0.00 0.00 0.00 0.00 44.72 45.76 1k1m s GLY 226 CO 0.55 0.79 -0.04 0.14 0.00 0.00 0.00 173.10 174.54 1k1m s VAL 227 N -1.73 3.87 0.12 1.40 1.01 0.13 -1.59 120.40 123.61 1k1m s VAL 227 Ca 0.51 -0.38 0.08 0.00 0.00 0.00 0.00 61.98 62.19 1k1m s VAL 227 Cb -0.16 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1k1m s VAL 227 CO 0.21 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.33 1k1m s TYR 228 N 0.01 1.74 0.02 5.22 1.51 0.55 -1.94 117.35 124.46 1k1m s TYR 228 Ca 0.00 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.32 1k1m s TYR 228 Cb -0.13 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.74 1k1m s TYR 228 CO 0.03 0.23 1.26 0.99 -1.11 0.00 0.00 175.55 176.94 1k1m s THR 229 N -1.47 3.97 -1.09 -0.71 2.01 -0.55 -1.14 115.64 116.66 1k1m s THR 229 Ca 0.09 1.37 -0.22 0.00 0.31 0.00 0.00 61.69 63.24 1k1m s THR 229 Cb -0.08 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.57 1k1m s THR 229 CO 0.05 0.05 1.65 -0.75 -0.69 0.00 0.00 174.62 174.93 1k1m s LYS 230 N 1.66 3.42 0.37 4.92 2.20 -0.11 -2.64 119.74 129.55 1k1m s LYS 230 Ca 0.59 -1.21 0.13 0.00 -0.36 0.00 0.00 55.97 55.12 1k1m s LYS 230 Cb -0.29 -5.35 0.93 0.00 -1.51 0.00 0.00 37.83 31.61 1k1m s LYS 230 CO 0.27 -2.59 1.83 0.28 -0.36 0.00 0.00 175.35 174.79 1k1m h VAL 231 N 6.50 0.72 0.00 4.02 2.07 -1.66 -1.93 116.25 125.96 1k1m h VAL 231 Ca 0.25 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1k1m h VAL 231 Cb 0.97 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1k1m h VAL 231 CO 1.38 0.10 0.17 0.00 0.02 0.00 0.00 177.57 179.24 1k1m n ASN 233 N -2.86 0.44 -0.38 0.00 3.02 -0.73 -3.94 115.26 110.81 1k1m n ASN 233 Ca -0.02 0.34 0.04 0.00 -0.03 0.00 0.00 54.58 54.91 1k1m n ASN 233 Cb 0.22 -0.37 0.07 0.00 -0.61 0.00 0.00 39.78 39.09 1k1m n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1k1m n TYR 234 N -1.83 0.16 -0.19 3.10 4.01 0.10 -4.76 117.16 117.75 1k1m n TYR 234 Ca 0.06 -0.24 -0.01 0.00 -0.16 0.00 0.00 57.90 57.55 1k1m n TYR 234 Cb 0.38 -0.02 0.10 0.00 -0.31 0.00 0.00 39.34 39.50 1k1m n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1k1m h VAL 235 N 1.48 0.78 -0.57 -0.72 2.07 -1.66 0.80 116.25 118.44 1k1m h VAL 235 Ca 0.00 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1k1m h VAL 235 Cb 0.49 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1k1m h VAL 235 CO 0.00 0.07 0.10 0.28 0.02 0.00 0.00 177.57 178.04 1k1m h SER 236 N 0.40 0.89 -0.08 0.57 0.02 -1.89 -1.49 113.55 111.98 1k1m h SER 236 Ca 0.29 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1k1m h SER 236 Cb 0.35 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1k1m h SER 236 CO -0.30 0.92 0.04 -0.25 -1.14 0.00 0.00 176.83 176.11 1k1m h TRP 237 N 0.83 0.10 0.19 3.45 7.01 -1.66 0.16 115.95 126.02 1k1m h TRP 237 Ca 0.17 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.18 1k1m h TRP 237 Cb 0.40 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 1k1m h TRP 237 CO 0.03 0.14 -0.31 0.82 -2.79 0.00 0.00 178.44 176.33 1k1m h ILE 238 N 0.04 0.34 -0.36 2.65 2.04 -0.75 0.96 117.51 122.43 1k1m h ILE 238 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 1k1m h ILE 238 Cb 0.07 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 1k1m h ILE 238 CO -0.00 0.00 0.08 0.11 0.00 0.00 0.00 178.15 178.34 1k1m h LYS 239 N -0.57 0.20 -0.27 2.37 1.57 -1.10 0.74 116.57 119.50 1k1m h LYS 239 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1k1m h LYS 239 Cb 0.57 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1k1m h LYS 239 CO -0.14 0.13 0.13 1.96 -0.57 0.00 0.00 179.45 180.96 1k1m h GLN 240 N 0.21 0.39 -0.71 3.15 4.20 -0.70 0.01 115.11 121.66 1k1m h GLN 240 Ca 0.17 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1k1m h GLN 240 Cb 0.19 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1k1m h GLN 240 CO -0.21 0.39 0.47 1.15 -0.67 0.00 0.00 178.83 179.95 1k1m h THR 241 N 0.30 1.18 -0.44 -0.54 2.02 -0.43 -1.42 112.91 113.58 1k1m h THR 241 Ca 0.09 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1k1m h THR 241 Cb 0.13 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.66 1k1m h THR 241 CO -0.01 0.17 -0.01 0.40 0.37 0.00 0.00 175.52 176.45 1k1m h ILE 242 N 0.96 1.26 0.00 3.11 2.04 -0.67 -2.63 117.51 121.58 1k1m h ILE 242 Ca 0.26 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1k1m h ILE 242 Cb -0.11 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1k1m h ILE 242 CO -0.06 0.36 -0.09 0.00 0.00 0.00 0.00 178.15 178.36 1k1m h ALA 243 N 0.90 1.52 -0.06 1.87 0.00 -0.49 -2.39 119.26 120.62 1k1m h ALA 243 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1k1m h ALA 243 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1k1m h ALA 243 CO 0.02 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1k1m n SER 244 N -3.96 2.58 0.00 0.00 3.41 -0.58 -5.09 113.62 109.98 1k1m n SER 244 Ca -0.02 -1.85 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1k1m n SER 244 Cb 0.18 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 1k1m n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47