#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k1n s VAL 17 N 0.00 5.07 -1.03 1.39 1.01 0.88 -4.01 120.40 123.71 1k1n s VAL 17 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1k1n s VAL 17 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1k1n s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1k1n n GLY 18 N 3.24 -0.03 0.00 4.51 0.00 -1.24 -1.58 105.19 110.08 1k1n n GLY 18 Ca -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1k1n n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1n n GLY 19 N -1.04 2.99 3.20 -0.02 0.00 -1.26 -4.84 105.19 104.21 1k1n n GLY 19 Ca -0.14 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 1k1n n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1n s TYR 20 N 1.52 1.01 -0.13 1.61 -0.85 -0.04 -4.94 117.35 115.54 1k1n s TYR 20 Ca 0.00 -0.94 -0.29 0.00 -0.52 0.00 0.00 57.07 55.32 1k1n s TYR 20 Cb 0.00 -0.58 -0.03 0.00 0.38 0.00 0.00 41.96 41.73 1k1n s TYR 20 CO 0.00 -0.16 1.48 0.99 -1.52 0.00 0.00 175.55 176.34 1k1n s THR 21 N -3.62 3.89 0.12 -3.49 2.01 -1.26 -0.10 115.64 113.19 1k1n s THR 21 Ca 0.16 1.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.98 1k1n s THR 21 Cb 0.05 -3.73 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 1k1n s THR 21 CO -0.02 -0.14 1.66 0.00 -0.69 0.00 0.00 174.62 175.43 1k1n n GLY 23 N -1.32 3.32 3.69 0.00 0.00 -1.26 -4.82 105.19 104.80 1k1n n GLY 23 Ca -0.05 -1.60 -0.51 0.00 0.00 0.00 0.00 46.02 43.85 1k1n n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1n n ALA 24 N -0.00 0.50 -2.17 4.61 0.00 -1.26 -2.52 120.51 119.68 1k1n n ALA 24 Ca 0.00 0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.56 1k1n n ALA 24 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 19.45 17.02 1k1n n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k1n n ASN 25 N 6.11 -5.58 0.00 0.00 3.02 -1.26 -4.86 115.26 112.69 1k1n n ASN 25 Ca 0.24 0.15 0.13 0.00 -0.03 0.00 0.00 54.58 55.06 1k1n n ASN 25 Cb 0.24 -4.74 0.43 0.00 -0.61 0.00 0.00 39.78 35.10 1k1n n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1k1n n THR 26 N -3.48 0.02 -3.39 3.41 -2.24 -1.05 -3.98 114.28 103.58 1k1n n THR 26 Ca -0.23 -0.01 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 1k1n n THR 26 Cb 0.67 -0.14 -0.08 0.00 -2.10 0.00 0.00 70.33 68.68 1k1n n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1k1n n VAL 27 N -1.53 1.48 0.30 2.28 0.31 -1.26 -4.99 118.33 114.92 1k1n n VAL 27 Ca 0.06 -4.86 0.17 0.00 -0.01 0.00 0.00 64.34 59.70 1k1n n VAL 27 Cb 0.34 -2.06 0.85 0.00 -0.91 0.00 0.00 33.84 32.06 1k1n n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1k1n h PRO 28 N 4.25 0.00 -0.01 5.55 0.13 -1.77 -1.83 132.00 138.32 1k1n h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1k1n h PRO 28 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1k1n h PRO 28 CO 0.73 0.00 -0.24 2.48 -0.23 0.00 0.00 178.00 180.74 1k1n n TYR 29 N -3.04 0.00 -2.54 1.56 0.18 -1.17 -2.46 117.16 109.68 1k1n n TYR 29 Ca -0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 1k1n n TYR 29 Cb 0.38 -0.05 -0.03 0.00 -0.38 0.00 0.00 39.34 39.26 1k1n n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1k1n s GLN 30 N -2.35 4.43 0.26 -3.48 2.00 -0.69 -0.98 119.66 118.86 1k1n s GLN 30 Ca 0.26 1.60 0.12 0.00 -2.00 0.00 0.00 55.36 55.33 1k1n s GLN 30 Cb 0.19 -3.48 -0.05 0.00 0.80 0.00 0.00 33.01 30.48 1k1n s GLN 30 CO 0.48 -0.29 -0.20 0.14 -0.50 0.00 0.00 175.29 174.92 1k1n s VAL 31 N 1.61 2.50 -0.14 1.34 -7.23 -0.36 -4.51 120.40 113.61 1k1n s VAL 31 Ca 0.55 -2.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 1k1n s VAL 31 Cb -0.24 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1k1n s VAL 31 CO 0.25 -0.35 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.99 1k1n s SER 32 N -3.36 3.78 -0.25 4.85 0.15 -0.55 -2.16 113.70 116.16 1k1n s SER 32 Ca 0.28 -0.41 -0.19 0.00 0.70 0.00 0.00 55.95 56.33 1k1n s SER 32 Cb -0.06 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1k1n s SER 32 CO 0.14 0.12 0.56 -0.76 1.20 0.00 0.00 173.24 174.51 1k1n s LEU 33 N 0.58 4.06 -0.06 3.45 1.43 0.72 -0.91 118.68 127.95 1k1n s LEU 33 Ca -0.09 0.61 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1k1n s LEU 33 Cb -0.16 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1k1n s LEU 33 CO 0.03 -0.31 -0.21 0.21 0.23 0.00 0.00 176.35 176.30 1k1n s ASN 34 N 1.48 3.39 -0.29 2.29 3.84 -0.10 -1.47 114.94 124.08 1k1n s ASN 34 Ca 0.24 -0.41 0.18 0.00 0.21 0.00 0.00 52.86 53.08 1k1n s ASN 34 Cb -0.16 -0.86 0.48 0.00 -0.55 0.00 0.00 41.25 40.17 1k1n s ASN 34 CO 0.09 0.27 1.08 -1.54 -2.79 0.00 0.00 177.10 174.20 1k1n n SER 37 N 2.80 2.18 0.00 -4.21 3.41 -1.26 -0.65 113.62 115.89 1k1n n SER 37 Ca -0.17 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 1k1n n SER 37 Cb 0.52 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1k1n n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k1n n GLY 38 N -0.46 2.17 3.48 5.00 0.00 -1.26 -5.00 105.19 109.11 1k1n n GLY 38 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1k1n n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k1n s TYR 39 N -2.39 -0.42 -0.03 1.61 1.13 -1.26 -5.13 117.35 110.85 1k1n s TYR 39 Ca 0.00 0.25 -0.30 0.00 -1.41 0.00 0.00 57.07 55.61 1k1n s TYR 39 Cb 0.00 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 1k1n s TYR 39 CO 0.00 -0.70 1.29 -1.58 -2.51 0.00 0.00 175.55 172.05 1k1n s HIS 40 N -3.41 3.05 0.00 -3.49 5.65 -1.26 -4.24 115.29 111.58 1k1n s HIS 40 Ca 0.03 1.04 0.00 0.00 0.25 0.00 0.00 55.06 56.39 1k1n s HIS 40 Cb -0.01 -3.53 0.00 0.00 -1.18 0.00 0.00 32.58 27.86 1k1n s HIS 40 CO -0.10 -1.81 0.00 1.97 -0.65 0.00 0.00 174.74 174.15 1k1n n PHE 41 N 5.25 0.00 -3.60 3.88 1.16 -0.54 -4.99 117.46 118.61 1k1n n PHE 41 Ca 0.12 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.60 1k1n n PHE 41 Cb 0.45 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.29 1k1n n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1k1n n GLY 43 N -0.37 2.16 3.72 0.00 0.00 0.76 -0.20 105.19 111.25 1k1n n GLY 43 Ca -0.13 -2.21 0.02 0.00 0.00 0.00 0.00 46.02 43.71 1k1n n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1n s GLY 44 N -3.64 -0.34 -0.05 -0.02 0.00 -0.92 -3.96 107.32 98.38 1k1n s GLY 44 Ca 0.36 0.54 0.03 0.00 0.00 0.00 0.00 44.72 45.65 1k1n s GLY 44 CO 0.23 1.71 -0.15 -0.56 0.00 0.00 0.00 173.10 174.32 1k1n s SER 45 N -3.22 1.99 -0.30 1.64 0.01 -0.01 -1.22 113.70 112.59 1k1n s SER 45 Ca 0.19 -0.33 -0.27 0.00 1.31 0.00 0.00 55.95 56.85 1k1n s SER 45 Cb 0.04 -0.73 0.01 0.00 0.21 0.00 0.00 66.02 65.55 1k1n s SER 45 CO -0.03 0.10 0.95 -0.22 0.41 0.00 0.00 173.24 174.44 1k1n s LEU 46 N 0.33 4.02 -0.01 2.44 2.96 -0.15 -0.81 118.68 127.47 1k1n s LEU 46 Ca -0.09 0.95 0.22 0.00 -0.22 0.00 0.00 54.13 54.98 1k1n s LEU 46 Cb -0.13 -3.35 -0.28 0.00 0.50 0.00 0.00 46.19 42.93 1k1n s LEU 46 CO 0.03 -0.73 0.61 2.30 -1.32 0.00 0.00 176.35 177.24 1k1n n ILE 47 N 5.63 0.05 -3.67 6.68 -5.35 -0.82 -0.44 119.36 121.44 1k1n n ILE 47 Ca 0.08 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 62.09 1k1n n ILE 47 Cb 0.47 0.14 -0.02 0.00 -1.74 0.00 0.00 39.64 38.49 1k1n n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1k1n s ASN 48 N -4.32 -0.26 0.66 7.28 6.03 -1.22 -4.52 114.94 118.60 1k1n s ASN 48 Ca -0.05 -0.29 0.17 0.00 -1.03 0.00 0.00 52.86 51.67 1k1n s ASN 48 Cb 0.14 0.49 0.93 0.00 -3.03 0.00 0.00 41.25 39.77 1k1n s ASN 48 CO 0.89 -0.87 1.52 0.77 -2.03 0.00 0.00 177.10 177.38 1k1n h SER 49 N 2.00 0.00 0.00 3.54 4.64 -1.95 -2.53 113.55 119.25 1k1n h SER 49 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1k1n h SER 49 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1k1n h SER 49 CO 0.27 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 177.90 1k1n n GLN 50 N -2.76 0.87 -4.51 4.77 7.27 -1.26 -0.26 117.38 121.51 1k1n n GLN 50 Ca -0.00 -0.76 -0.21 0.00 0.07 0.00 0.00 57.00 56.10 1k1n n GLN 50 Cb 0.68 -0.70 -0.15 0.00 2.41 0.00 0.00 30.24 32.47 1k1n n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1k1n s TRP 51 N -0.32 1.07 -0.02 3.69 0.52 -0.96 -0.75 118.94 122.17 1k1n s TRP 51 Ca 0.00 -0.23 0.06 0.00 0.02 0.00 0.00 56.10 55.96 1k1n s TRP 51 Cb 0.00 -0.71 -0.01 0.00 -1.15 0.00 0.00 33.47 31.60 1k1n s TRP 51 CO 0.00 -0.05 -0.20 0.08 0.02 0.00 0.00 176.95 176.80 1k1n s VAL 52 N -0.14 1.62 -0.08 4.03 1.01 0.29 -1.94 120.40 125.19 1k1n s VAL 52 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1k1n s VAL 52 Cb -0.06 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1k1n s VAL 52 CO -0.00 0.46 -0.07 0.54 0.00 0.00 0.00 175.10 176.03 1k1n s VAL 53 N -0.41 3.65 0.00 2.92 0.11 0.01 -0.18 120.40 126.51 1k1n s VAL 53 Ca 0.06 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1k1n s VAL 53 Cb -0.09 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.26 1k1n s VAL 53 CO -0.00 0.59 0.00 -0.24 -3.33 0.00 0.00 175.10 172.11 1k1n n SER 54 N 2.41 0.00 -4.82 3.54 2.88 -0.12 -0.83 113.62 116.68 1k1n n SER 54 Ca -0.18 -0.85 -0.38 0.00 -1.33 0.00 0.00 58.87 56.13 1k1n n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1k1n n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k1n s ALA 55 N -1.58 3.62 0.53 -1.46 0.00 -1.26 -0.85 121.76 120.76 1k1n s ALA 55 Ca 0.00 -0.07 0.18 0.00 0.00 0.00 0.00 51.96 52.07 1k1n s ALA 55 Cb 0.00 -2.54 1.36 0.00 0.00 0.00 0.00 23.12 21.94 1k1n s ALA 55 CO 0.00 0.43 2.16 0.00 0.00 0.00 0.00 175.76 178.36 1k1n h ALA 56 N 4.42 1.91 0.00 0.00 0.00 -1.69 -0.44 119.26 123.46 1k1n h ALA 56 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1k1n h ALA 56 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k1n h ALA 56 CO 0.63 0.01 0.00 -2.39 0.00 0.00 0.00 179.25 177.50 1k1n n HIS 57 N -4.41 0.00 1.17 0.00 1.44 -1.26 -1.39 115.22 110.77 1k1n n HIS 57 Ca -0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.81 1k1n n HIS 57 Cb 0.09 -0.14 0.23 0.00 0.12 0.00 0.00 29.99 30.29 1k1n n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k1n n TYR 59 N 0.61 2.18 -3.50 0.00 4.19 -0.48 -4.98 117.16 115.18 1k1n n TYR 59 Ca 0.15 0.41 -0.10 0.00 3.31 0.00 0.00 57.90 61.67 1k1n n TYR 59 Cb 0.49 -2.47 -0.03 0.00 0.49 0.00 0.00 39.34 37.82 1k1n n TYR 59 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1k1n s LYS 60 N -0.21 0.89 0.20 2.98 2.20 -1.26 -5.14 119.74 119.39 1k1n s LYS 60 Ca 0.70 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 56.03 1k1n s LYS 60 Cb -0.66 0.41 -0.05 0.00 -1.51 0.00 0.00 37.83 36.02 1k1n s LYS 60 CO 0.48 -0.37 0.43 -1.54 -0.36 0.00 0.00 175.35 173.99 1k1n s SER 61 N -2.27 6.46 -0.43 1.43 1.04 -1.26 -4.51 113.70 114.16 1k1n s SER 61 Ca 0.02 0.57 -0.00 0.00 0.48 0.00 0.00 55.95 57.03 1k1n s SER 61 Cb -0.01 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.03 1k1n s SER 61 CO -0.07 -0.03 0.36 0.61 0.98 0.00 0.00 173.24 175.08 1k1n n GLY 62 N -0.37 0.16 3.72 7.32 0.00 -1.26 -5.02 105.19 109.75 1k1n n GLY 62 Ca -0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1k1n n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k1n s ILE 63 N -3.13 5.29 -0.16 -0.61 1.01 -1.26 -4.56 121.20 117.79 1k1n s ILE 63 Ca 0.01 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 1k1n s ILE 63 Cb -0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 1k1n s ILE 63 CO 0.26 0.37 -0.10 -1.58 0.00 0.00 0.00 174.94 173.89 1k1n s GLN 64 N 0.55 3.40 -0.13 2.79 0.74 0.18 -1.94 119.66 125.24 1k1n s GLN 64 Ca 0.17 -0.66 -0.20 0.00 0.05 0.00 0.00 55.36 54.72 1k1n s GLN 64 Cb -0.13 -2.75 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 1k1n s GLN 64 CO 0.04 0.10 0.58 0.08 -0.55 0.00 0.00 175.29 175.55 1k1n s VAL 65 N 0.67 5.10 -0.25 1.34 1.01 0.10 -0.93 120.40 127.45 1k1n s VAL 65 Ca -0.05 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 1k1n s VAL 65 Cb -0.15 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.32 1k1n s VAL 65 CO 0.02 0.24 -0.03 -0.13 0.00 0.00 0.00 175.10 175.21 1k1n s ARG 66 N 1.05 3.06 0.28 2.72 0.52 -0.09 -0.77 118.95 125.72 1k1n s ARG 66 Ca 0.30 -0.84 0.08 0.00 -0.52 0.00 0.00 55.73 54.75 1k1n s ARG 66 Cb -0.16 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 1k1n s ARG 66 CO 0.13 -0.34 0.15 -0.51 0.02 0.00 0.00 175.30 174.74 1k1n s LEU 67 N 1.41 3.53 -1.30 2.53 1.43 0.10 -1.49 118.68 124.89 1k1n s LEU 67 Ca 0.03 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1k1n s LEU 67 Cb -0.16 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1k1n s LEU 67 CO -0.03 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1k1n n GLY 69 N -1.14 0.82 3.82 -3.19 0.00 -1.26 -1.54 105.19 102.71 1k1n n GLY 69 Ca -0.06 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1k1n n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k1n s GLU 70 N -3.67 4.14 0.00 1.61 0.41 -1.26 -3.85 118.70 116.07 1k1n s GLU 70 Ca 0.00 0.69 0.00 0.00 -0.41 0.00 0.00 54.97 55.25 1k1n s GLU 70 Cb 0.00 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.36 1k1n s GLU 70 CO 0.00 0.48 0.00 -3.47 -0.49 0.00 0.00 175.26 171.78 1k1n n ASP 71 N 0.98 0.00 -4.61 -0.19 2.03 -1.26 -4.57 116.55 108.93 1k1n n ASP 71 Ca -0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 1k1n n ASP 71 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.89 1k1n n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1k1n s ASN 72 N 1.00 6.75 0.00 1.67 3.84 -1.25 -3.52 114.94 123.42 1k1n s ASN 72 Ca 0.00 0.69 0.22 0.00 0.21 0.00 0.00 52.86 53.98 1k1n s ASN 72 Cb 0.00 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 39.27 1k1n s ASN 72 CO 0.00 -1.03 1.71 2.30 -2.79 0.00 0.00 177.10 177.29 1k1n n ILE 73 N 6.29 0.32 0.68 -5.21 -5.35 -0.12 -3.04 119.36 112.93 1k1n n ILE 73 Ca 0.11 0.08 0.08 0.00 -0.27 0.00 0.00 62.75 62.74 1k1n n ILE 73 Cb 0.48 -0.72 0.01 0.00 -1.74 0.00 0.00 39.64 37.67 1k1n n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1k1n n ASN 74 N -1.29 1.73 -4.03 7.28 3.02 -1.26 -4.95 115.26 115.75 1k1n n ASN 74 Ca 0.10 -1.36 -0.22 0.00 -0.03 0.00 0.00 54.58 53.07 1k1n n ASN 74 Cb 0.18 0.37 -0.16 0.00 -0.61 0.00 0.00 39.78 39.57 1k1n n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k1n s VAL 75 N -1.73 0.97 -0.45 2.41 1.01 -1.17 -5.10 120.40 116.34 1k1n s VAL 75 Ca 0.14 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 1k1n s VAL 75 Cb 0.13 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1k1n s VAL 75 CO 0.35 0.30 1.08 -0.69 0.00 0.00 0.00 175.10 176.13 1k1n s VAL 76 N 0.22 4.31 -1.52 2.92 1.01 -1.26 -4.68 120.40 121.39 1k1n s VAL 76 Ca -0.04 1.17 0.20 0.00 0.00 0.00 0.00 61.98 63.31 1k1n s VAL 76 Cb -0.10 -4.54 -0.09 0.00 0.00 0.00 0.00 36.38 31.65 1k1n s VAL 76 CO 0.01 -0.90 0.96 -0.62 0.00 0.00 0.00 175.10 174.55 1k1n n GLU 77 N 7.56 0.98 0.00 2.72 1.02 -1.26 -5.01 120.64 126.64 1k1n n GLU 77 Ca 0.10 -0.57 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 1k1n n GLU 77 Cb 0.49 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1k1n n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k1n n GLY 78 N 1.40 0.58 0.12 0.62 0.00 -1.26 -4.96 105.19 101.69 1k1n n GLY 78 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1k1n n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k1n n ASN 79 N 0.00 2.25 -4.87 1.61 3.02 -1.26 -5.06 115.26 110.95 1k1n n ASN 79 Ca 0.00 -2.26 -0.31 0.00 -0.03 0.00 0.00 54.58 51.99 1k1n n ASN 79 Cb 0.00 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.01 1k1n n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k1n s GLU 80 N -1.44 3.79 -0.13 3.52 8.01 -1.25 -4.19 118.70 127.00 1k1n s GLU 80 Ca 0.11 0.63 -0.04 0.00 0.01 0.00 0.00 54.97 55.68 1k1n s GLU 80 Cb 0.08 -2.27 0.05 0.00 -4.31 0.00 0.00 34.13 27.69 1k1n s GLU 80 CO 0.03 -0.20 0.09 -0.65 0.01 0.00 0.00 175.26 174.54 1k1n s GLN 81 N -4.18 0.02 -0.29 1.61 -0.21 -0.59 -4.96 119.66 111.05 1k1n s GLN 81 Ca 0.54 0.07 -0.11 0.00 0.02 0.00 0.00 55.36 55.88 1k1n s GLN 81 Cb -0.10 -1.40 -0.03 0.00 1.00 0.00 0.00 33.01 32.47 1k1n s GLN 81 CO 0.36 -0.57 0.18 -0.06 -2.12 0.00 0.00 175.29 173.08 1k1n s PHE 82 N 2.16 3.19 -0.05 0.91 2.99 -1.26 -0.72 117.98 125.20 1k1n s PHE 82 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 56.93 56.84 1k1n s PHE 82 Cb -0.15 -2.37 0.02 0.00 0.00 0.00 0.00 43.02 40.52 1k1n s PHE 82 CO -0.07 -0.27 -0.05 0.42 -0.00 0.00 0.00 175.22 175.24 1k1n s ILE 83 N 1.71 0.60 0.53 0.64 1.01 0.05 -4.99 121.20 120.75 1k1n s ILE 83 Ca 0.06 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.37 1k1n s ILE 83 Cb -0.16 -0.62 -0.07 0.00 0.01 0.00 0.00 42.46 41.62 1k1n s ILE 83 CO 0.09 0.24 1.04 -0.44 0.00 0.00 0.00 174.94 175.87 1k1n s SER 84 N 0.91 6.18 0.18 3.58 0.01 -1.26 0.03 113.70 123.32 1k1n s SER 84 Ca -0.11 1.84 -0.25 0.00 1.31 0.00 0.00 55.95 58.73 1k1n s SER 84 Cb -0.14 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.46 1k1n s SER 84 CO 0.00 -0.89 0.78 0.00 0.41 0.00 0.00 173.24 173.54 1k1n s ALA 85 N -2.24 3.44 -0.16 1.44 0.00 -0.82 -0.87 121.76 122.55 1k1n s ALA 85 Ca 0.65 0.36 0.17 0.00 0.00 0.00 0.00 51.96 53.14 1k1n s ALA 85 Cb -0.15 -2.96 -0.25 0.00 0.00 0.00 0.00 23.12 19.76 1k1n s ALA 85 CO 0.28 0.29 0.23 -1.13 0.00 0.00 0.00 175.76 175.42 1k1n n SER 86 N 1.51 0.20 -3.67 0.00 3.41 0.54 -4.73 113.62 110.88 1k1n n SER 86 Ca -0.05 0.09 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1k1n n SER 86 Cb 0.49 0.81 -0.08 0.00 -0.26 0.00 0.00 64.21 65.16 1k1n n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1k1n s LYS 87 N -2.57 0.72 -0.05 4.33 2.20 -1.20 -5.01 119.74 118.16 1k1n s LYS 87 Ca -0.09 0.48 0.05 0.00 -0.36 0.00 0.00 55.97 56.05 1k1n s LYS 87 Cb 0.07 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.73 1k1n s LYS 87 CO 0.83 -0.15 -0.20 -1.12 -0.36 0.00 0.00 175.35 174.35 1k1n s SER 88 N -0.30 2.52 -0.23 1.43 0.01 -1.26 -0.43 113.70 115.43 1k1n s SER 88 Ca -0.05 -0.42 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 1k1n s SER 88 Cb -0.03 -0.69 0.07 0.00 0.21 0.00 0.00 66.02 65.57 1k1n s SER 88 CO 0.03 0.19 0.02 -0.63 0.41 0.00 0.00 173.24 173.26 1k1n s ILE 89 N -0.05 0.95 0.16 1.44 1.01 0.77 -5.00 121.20 120.48 1k1n s ILE 89 Ca -0.04 -0.97 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 1k1n s ILE 89 Cb -0.12 -1.43 -0.08 0.00 0.01 0.00 0.00 42.46 40.83 1k1n s ILE 89 CO 0.03 -0.28 0.76 -0.69 0.00 0.00 0.00 174.94 174.76 1k1n s VAL 90 N 1.64 4.39 0.19 2.92 1.01 -1.26 -0.68 120.40 128.61 1k1n s VAL 90 Ca -0.00 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 63.33 1k1n s VAL 90 Cb -0.18 -4.12 -0.16 0.00 0.00 0.00 0.00 36.38 31.92 1k1n s VAL 90 CO -0.11 0.52 0.93 1.57 0.00 0.00 0.00 175.10 178.01 1k1n n HIS 91 N 1.59 0.68 0.21 5.22 -0.00 -0.84 -4.84 115.22 117.25 1k1n n HIS 91 Ca -0.06 0.82 0.16 0.00 0.46 0.00 0.00 57.72 59.09 1k1n n HIS 91 Cb 0.49 -2.16 0.80 0.00 -0.12 0.00 0.00 29.99 29.00 1k1n n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1k1n h PRO 92 N 2.31 0.00 -0.39 1.57 0.13 -1.93 -2.41 132.00 131.28 1k1n h PRO 92 Ca -0.39 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.59 1k1n h PRO 92 Cb 1.38 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.42 1k1n h PRO 92 CO 0.63 0.00 0.02 0.43 -0.23 0.00 0.00 178.00 178.86 1k1n n SER 93 N -3.99 3.15 -4.70 1.44 7.64 -1.26 -5.02 113.62 110.88 1k1n n SER 93 Ca 0.01 -3.48 -0.42 0.00 1.01 0.00 0.00 58.87 55.99 1k1n n SER 93 Cb 0.27 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.81 1k1n n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k1n s TYR 94 N -3.10 2.75 -0.34 1.43 6.04 -0.91 -4.66 117.35 118.56 1k1n s TYR 94 Ca 0.45 0.53 -0.02 0.00 0.04 0.00 0.00 57.07 58.07 1k1n s TYR 94 Cb 0.39 -3.90 0.07 0.00 -1.04 0.00 0.00 41.96 37.48 1k1n s TYR 94 CO 0.04 -3.44 0.07 1.21 -1.54 0.00 0.00 175.55 171.89 1k1n s ASN 95 N 1.82 5.04 0.26 4.32 3.84 -0.51 -4.99 114.94 124.72 1k1n s ASN 95 Ca 0.71 -1.50 0.22 0.00 0.21 0.00 0.00 52.86 52.50 1k1n s ASN 95 Cb -0.40 -1.76 1.00 0.00 -0.55 0.00 0.00 41.25 39.54 1k1n s ASN 95 CO 0.31 -0.35 1.67 -1.54 -2.79 0.00 0.00 177.10 174.40 1k1n n SER 96 N 4.62 0.59 0.04 -4.21 3.41 -1.26 0.15 113.62 116.97 1k1n n SER 96 Ca -0.09 0.69 -0.21 0.00 -0.26 0.00 0.00 58.87 58.99 1k1n n SER 96 Cb 0.43 -0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 63.44 1k1n n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1k1n h ASN 97 N 0.00 0.48 0.07 4.04 -0.26 -1.96 -3.38 115.58 114.57 1k1n h ASN 97 Ca 0.00 -0.85 0.00 0.00 -0.56 0.00 0.00 56.30 54.89 1k1n h ASN 97 Cb 0.24 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1k1n h ASN 97 CO 0.00 1.74 -1.39 0.35 -1.06 0.00 0.00 177.43 177.07 1k1n n THR 98 N -3.50 0.03 -1.21 2.81 -2.24 -1.15 -4.97 114.28 104.04 1k1n n THR 98 Ca -0.26 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 1k1n n THR 98 Cb 1.06 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 1k1n n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1k1n n LEU 99 N -1.87 -0.34 -4.75 3.22 4.77 0.12 -4.98 117.00 113.18 1k1n n LEU 99 Ca 0.01 0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.76 1k1n n LEU 99 Cb 0.44 -1.68 -0.04 0.00 -2.33 0.00 0.00 43.42 39.81 1k1n n LEU 99 CO 0.44 -0.56 0.80 0.21 -1.33 0.00 0.00 177.39 176.95 1k1n s ASN 100 N -2.58 7.25 -0.90 -1.43 3.04 -1.20 -3.11 114.94 116.02 1k1n s ASN 100 Ca 0.00 2.18 -0.05 0.00 0.04 0.00 0.00 52.86 55.03 1k1n s ASN 100 Cb 0.00 -2.61 0.01 0.00 -1.54 0.00 0.00 41.25 37.10 1k1n s ASN 100 CO 0.00 -0.20 0.63 0.59 -3.04 0.00 0.00 177.10 175.08 1k1n n ASN 101 N 1.87 -4.66 -4.24 -4.21 5.03 -1.26 -1.43 115.26 106.36 1k1n n ASN 101 Ca 0.01 -0.29 -0.40 0.00 0.87 0.00 0.00 54.58 54.77 1k1n n ASN 101 Cb 0.45 -3.34 -0.02 0.00 -1.02 0.00 0.00 39.78 35.85 1k1n n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1k1n n ASP 102 N -1.21 4.07 -3.77 6.41 2.03 -1.18 -4.36 116.55 118.54 1k1n n ASP 102 Ca -0.02 -2.83 -0.13 0.00 0.52 0.00 0.00 54.79 52.33 1k1n n ASP 102 Cb 0.55 -1.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.20 1k1n n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k1n s ILE 103 N 5.14 0.03 -0.04 5.18 2.07 -1.26 -3.87 121.20 128.45 1k1n s ILE 103 Ca 0.55 -0.26 -0.10 0.00 -1.41 0.00 0.00 60.65 59.44 1k1n s ILE 103 Cb 0.07 -0.51 0.02 0.00 0.13 0.00 0.00 42.46 42.17 1k1n s ILE 103 CO 0.05 -0.14 0.22 -0.32 -1.91 0.00 0.00 174.94 172.84 1k1n s MET 104 N -0.59 0.44 -0.10 3.50 -2.45 -0.03 -1.99 119.30 118.08 1k1n s MET 104 Ca -0.07 -0.03 -0.00 0.00 -1.25 0.00 0.00 55.69 54.34 1k1n s MET 104 Cb -0.04 0.20 -0.03 0.00 1.25 0.00 0.00 34.83 36.21 1k1n s MET 104 CO 0.02 -0.10 -0.08 -0.51 1.05 0.00 0.00 175.02 175.41 1k1n s LEU 105 N -0.71 3.08 -0.11 4.11 1.43 0.14 -0.94 118.68 125.68 1k1n s LEU 105 Ca -0.08 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1k1n s LEU 105 Cb -0.04 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1k1n s LEU 105 CO 0.02 0.28 -0.20 -0.63 0.23 0.00 0.00 176.35 176.05 1k1n s ILE 106 N -0.32 1.81 -0.15 -0.59 1.01 0.75 -0.16 121.20 123.54 1k1n s ILE 106 Ca 0.04 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.75 1k1n s ILE 106 Cb -0.13 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.69 1k1n s ILE 106 CO 0.02 0.50 0.16 -0.75 0.00 0.00 0.00 174.94 174.88 1k1n s LYS 107 N 0.69 3.81 0.36 2.79 2.20 0.43 -0.55 119.74 129.47 1k1n s LYS 107 Ca -0.12 -0.13 -0.17 0.00 -0.36 0.00 0.00 55.97 55.20 1k1n s LYS 107 Cb -0.16 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 1k1n s LYS 107 CO 0.02 0.55 0.81 -0.51 -0.36 0.00 0.00 175.35 175.86 1k1n s LEU 108 N -0.38 4.01 0.39 5.43 1.43 0.07 -0.34 118.68 129.28 1k1n s LEU 108 Ca 0.13 1.41 0.11 0.00 -1.03 0.00 0.00 54.13 54.74 1k1n s LEU 108 Cb -0.12 -4.23 0.78 0.00 0.03 0.00 0.00 46.19 42.65 1k1n s LEU 108 CO 0.02 -0.27 1.89 0.11 0.23 0.00 0.00 176.35 178.34 1k1n h LYS 109 N 2.09 0.14 -4.15 1.70 1.57 -1.29 -3.41 116.57 113.23 1k1n h LYS 109 Ca -0.48 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.12 1k1n h LYS 109 Cb 1.18 -0.02 -0.17 0.00 0.08 0.00 0.00 32.23 33.30 1k1n h LYS 109 CO 0.64 0.36 -0.69 -1.54 -0.57 0.00 0.00 179.45 177.65 1k1n s SER 110 N -6.92 0.40 0.26 0.86 1.04 -1.26 -5.00 113.70 103.08 1k1n s SER 110 Ca -0.05 -0.82 -0.30 0.00 0.48 0.00 0.00 55.95 55.27 1k1n s SER 110 Cb 0.15 0.16 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 1k1n s SER 110 CO 0.73 -0.49 1.11 0.00 0.98 0.00 0.00 173.24 175.57 1k1n s ALA 111 N -3.04 3.41 0.55 5.32 0.00 -1.26 -4.82 121.76 121.91 1k1n s ALA 111 Ca -0.01 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1k1n s ALA 111 Cb 0.02 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 1k1n s ALA 111 CO -0.07 -0.20 1.06 0.00 0.00 0.00 0.00 175.76 176.55 1k1n s ALA 112 N -0.93 2.78 -0.44 0.00 0.00 0.65 -4.99 121.76 118.82 1k1n s ALA 112 Ca 0.46 0.53 -0.23 0.00 0.00 0.00 0.00 51.96 52.72 1k1n s ALA 112 Cb -0.32 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.57 1k1n s ALA 112 CO 0.40 -0.62 0.76 -1.12 0.00 0.00 0.00 175.76 175.18 1k1n s SER 113 N -2.36 6.40 -0.10 0.00 0.01 -1.26 -4.86 113.70 111.54 1k1n s SER 113 Ca 0.66 -0.13 -0.28 0.00 1.31 0.00 0.00 55.95 57.51 1k1n s SER 113 Cb -0.17 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 1k1n s SER 113 CO 0.29 -0.89 0.93 -0.76 0.41 0.00 0.00 173.24 173.23 1k1n s LEU 114 N 3.20 4.26 0.00 2.44 1.43 -1.26 -4.82 118.68 123.93 1k1n s LEU 114 Ca 0.29 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1k1n s LEU 114 Cb -0.12 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1k1n s LEU 114 CO 0.22 -0.37 0.00 -0.46 0.23 0.00 0.00 176.35 175.97 1k1n n ASN 115 N 4.74 0.00 0.24 2.29 6.94 0.21 -4.99 115.26 124.69 1k1n n ASN 115 Ca 0.06 -0.88 0.09 0.00 -0.02 0.00 0.00 54.58 53.83 1k1n n ASN 115 Cb 0.49 0.00 0.61 0.00 -2.36 0.00 0.00 39.78 38.52 1k1n n ASN 115 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1k1n h SER 116 N 0.00 0.00 0.36 0.53 0.87 -2.00 -2.91 113.55 110.39 1k1n h SER 116 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1k1n h SER 116 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1k1n h SER 116 CO 0.00 0.17 -1.06 0.54 -0.53 0.00 0.00 176.83 175.95 1k1n n ARG 117 N -3.90 0.27 -3.70 2.24 1.74 -1.26 -4.68 116.66 107.36 1k1n n ARG 117 Ca -0.02 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.75 1k1n n ARG 117 Cb 0.26 -1.57 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 1k1n n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1k1n s VAL 118 N -3.19 0.66 0.09 1.55 1.01 -1.10 -4.39 120.40 115.03 1k1n s VAL 118 Ca 0.04 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1k1n s VAL 118 Cb 0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 1k1n s VAL 118 CO 0.81 -0.64 -0.08 0.00 0.00 0.00 0.00 175.10 175.20 1k1n s ALA 119 N 1.73 0.97 0.36 5.51 0.00 -1.03 -0.62 121.76 128.69 1k1n s ALA 119 Ca 0.09 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 50.72 1k1n s ALA 119 Cb -0.17 0.11 -0.06 0.00 0.00 0.00 0.00 23.12 23.00 1k1n s ALA 119 CO -0.26 -0.16 0.69 -1.54 0.00 0.00 0.00 175.76 174.49 1k1n s SER 120 N -2.72 6.49 -0.09 0.00 1.04 -1.26 -3.04 113.70 114.13 1k1n s SER 120 Ca 0.08 0.97 -0.03 0.00 0.48 0.00 0.00 55.95 57.44 1k1n s SER 120 Cb 0.01 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.84 1k1n s SER 120 CO -0.03 -0.32 0.06 -0.51 0.98 0.00 0.00 173.24 173.42 1k1n s ILE 121 N -2.26 4.76 0.38 -1.02 1.10 0.42 -4.91 121.20 119.67 1k1n s ILE 121 Ca 0.48 -0.12 -0.24 0.00 -0.51 0.00 0.00 60.65 60.27 1k1n s ILE 121 Cb -0.10 -3.05 -0.10 0.00 0.15 0.00 0.00 42.46 39.36 1k1n s ILE 121 CO 0.31 0.58 0.99 -0.44 -2.11 0.00 0.00 174.94 174.27 1k1n s SER 122 N -1.04 6.98 0.40 4.50 0.01 -1.26 -4.49 113.70 118.80 1k1n s SER 122 Ca 0.15 1.89 -0.23 0.00 1.31 0.00 0.00 55.95 59.08 1k1n s SER 122 Cb -0.12 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.44 1k1n s SER 122 CO 0.04 -0.33 0.96 -0.76 0.41 0.00 0.00 173.24 173.56 1k1n s LEU 123 N -2.58 4.07 0.63 2.44 1.43 -1.26 -1.31 118.68 122.10 1k1n s LEU 123 Ca 0.56 1.76 -0.15 0.00 -1.03 0.00 0.00 54.13 55.28 1k1n s LEU 123 Cb -0.18 -4.36 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 1k1n s LEU 123 CO 0.23 -0.29 1.07 -2.16 0.23 0.00 0.00 176.35 175.43 1k1n s PRO 124 N -2.79 3.10 -0.00 1.29 0.04 -1.26 -4.82 135.00 130.56 1k1n s PRO 124 Ca 0.58 1.24 0.18 0.00 0.04 0.00 0.00 61.00 63.04 1k1n s PRO 124 Cb -0.13 -2.00 -0.21 0.00 0.04 0.00 0.00 34.50 32.20 1k1n s PRO 124 CO 0.17 -0.99 0.71 0.25 0.04 0.00 0.00 177.00 177.19 1k1n n THR 125 N -2.27 0.00 -3.76 1.26 -2.24 -1.26 -4.95 114.28 101.05 1k1n n THR 125 Ca 0.09 -0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.65 1k1n n THR 125 Cb 0.53 0.86 -0.05 0.00 -2.10 0.00 0.00 70.33 69.56 1k1n n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k1n s SER 127 N -2.93 -0.13 0.07 3.42 1.04 -1.26 -5.16 113.70 108.76 1k1n s SER 127 Ca 0.05 -0.52 -0.26 0.00 0.48 0.00 0.00 55.95 55.70 1k1n s SER 127 Cb 0.13 0.47 -0.06 0.00 0.10 0.00 0.00 66.02 66.67 1k1n s SER 127 CO 0.75 -0.89 0.79 0.00 0.98 0.00 0.00 173.24 174.87 1k1n s ALA 129 N -0.19 3.38 0.52 0.00 0.00 -1.26 -5.03 121.76 119.18 1k1n s ALA 129 Ca 0.39 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 53.30 1k1n s ALA 129 Cb -0.21 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1k1n s ALA 129 CO 0.24 -0.31 0.79 -1.12 0.00 0.00 0.00 175.76 175.36 1k1n s SER 130 N -0.86 5.69 0.49 0.00 0.01 -1.26 -5.03 113.70 112.74 1k1n s SER 130 Ca 0.48 0.48 -0.23 0.00 1.31 0.00 0.00 55.95 57.99 1k1n s SER 130 Cb -0.33 -1.59 -0.06 0.00 0.21 0.00 0.00 66.02 64.24 1k1n s SER 130 CO 0.43 -0.89 1.34 0.00 0.41 0.00 0.00 173.24 174.52 1k1n s ALA 132 N -2.78 3.00 0.00 1.44 0.00 -1.26 -2.60 121.76 119.56 1k1n s ALA 132 Ca 0.51 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1k1n s ALA 132 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1k1n s ALA 132 CO 0.41 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1k1n n GLY 133 N 0.64 3.46 3.73 0.00 0.00 0.30 -4.95 105.19 108.36 1k1n n GLY 133 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1k1n n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1n s THR 134 N -2.98 3.32 0.05 2.61 2.01 -1.07 -4.70 115.64 114.88 1k1n s THR 134 Ca 0.00 1.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.82 1k1n s THR 134 Cb 0.00 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 1k1n s THR 134 CO 0.00 0.15 0.78 -1.10 -0.69 0.00 0.00 174.62 173.77 1k1n s GLN 135 N 0.02 4.51 0.16 4.92 -1.52 -1.26 -0.99 119.66 125.50 1k1n s GLN 135 Ca 0.57 1.10 0.06 0.00 -1.95 0.00 0.00 55.36 55.13 1k1n s GLN 135 Cb -0.35 -3.37 -0.04 0.00 -0.22 0.00 0.00 33.01 29.02 1k1n s GLN 135 CO 0.37 0.26 -0.13 0.00 -0.25 0.00 0.00 175.29 175.55 1k1n s LEU 137 N -2.98 3.23 -0.02 0.00 2.96 0.54 -0.79 118.68 121.63 1k1n s LEU 137 Ca 0.16 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 1k1n s LEU 137 Cb -0.01 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1k1n s LEU 137 CO 0.03 -0.00 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.29 1k1n s ILE 138 N 1.39 3.09 0.05 6.68 1.01 0.62 -1.35 121.20 132.69 1k1n s ILE 138 Ca 0.05 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1k1n s ILE 138 Cb -0.15 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1k1n s ILE 138 CO 0.01 0.51 0.19 -0.94 0.00 0.00 0.00 174.94 174.71 1k1n s SER 139 N -0.98 0.06 0.00 3.58 1.04 -1.22 -0.38 113.70 115.81 1k1n s SER 139 Ca 0.13 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1k1n s SER 139 Cb -0.11 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1k1n s SER 139 CO 0.02 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1k1n n GLY 140 N 0.47 0.72 1.65 7.32 0.00 -0.70 -4.35 105.19 110.31 1k1n n GLY 140 Ca -0.18 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 1k1n n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k1n n TRP 141 N -0.54 1.94 -1.59 1.61 8.01 -1.26 -2.15 117.44 123.46 1k1n n TRP 141 Ca 0.00 -1.17 -0.30 0.00 -1.31 0.00 0.00 57.50 54.72 1k1n n TRP 141 Cb 0.00 -0.58 0.18 0.00 -2.01 0.00 0.00 31.31 28.90 1k1n n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1k1n s GLY 142 N -1.43 1.66 0.26 6.99 0.00 -1.25 -4.34 107.32 109.22 1k1n s GLY 142 Ca 0.51 -0.91 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 1k1n s GLY 142 CO 0.11 -0.19 0.95 -2.01 0.00 0.00 0.00 173.10 171.96 1k1n n ASN 143 N -4.01 0.90 -0.83 1.64 5.15 0.41 -2.22 115.26 116.31 1k1n n ASN 143 Ca 0.12 1.17 0.09 0.00 -0.60 0.00 0.00 54.58 55.36 1k1n n ASN 143 Cb 0.59 -1.23 0.13 0.00 -0.53 0.00 0.00 39.78 38.75 1k1n n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1k1n n THR 144 N 0.32 0.34 -4.80 -0.44 -2.24 -0.81 -0.70 114.28 105.94 1k1n n THR 144 Ca 0.11 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 1k1n n THR 144 Cb 0.30 1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.48 1k1n n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k1n s LYS 145 N -1.33 2.25 0.15 -0.78 -0.14 -1.26 -4.37 119.74 114.26 1k1n s LYS 145 Ca 0.27 -0.86 0.18 0.00 -1.36 0.00 0.00 55.97 54.20 1k1n s LYS 145 Cb 0.17 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 34.02 1k1n s LYS 145 CO 0.24 0.57 1.02 0.66 -0.76 0.00 0.00 175.35 177.08 1k1n h SER 146 N 4.92 0.00 -3.10 2.83 4.64 -1.93 -3.43 113.55 117.47 1k1n h SER 146 Ca -0.47 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.36 1k1n h SER 146 Cb 1.15 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.84 1k1n h SER 146 CO 0.49 0.38 -0.76 -0.44 -0.87 0.00 0.00 176.83 175.63 1k1n s SER 147 N -5.80 2.80 0.00 4.97 0.01 -1.26 -4.65 113.70 109.76 1k1n s SER 147 Ca -0.01 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1k1n s SER 147 Cb 0.09 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1k1n s SER 147 CO 0.79 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1k1n n GLY 148 N 5.17 -0.55 2.83 3.44 0.00 -1.26 -5.06 105.19 109.75 1k1n n GLY 148 Ca -0.07 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.57 1k1n n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k1n s THR 149 N -0.36 -0.03 -0.30 2.61 2.01 -1.26 -4.63 115.64 113.68 1k1n s THR 149 Ca 0.00 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 1k1n s THR 149 Cb 0.00 -0.07 0.19 0.00 0.01 0.00 0.00 72.50 72.63 1k1n s THR 149 CO 0.00 0.05 0.77 -0.55 -0.69 0.00 0.00 174.62 174.20 1k1n s SER 150 N 0.64 -1.10 -0.13 3.53 0.15 -1.26 -4.99 113.70 110.54 1k1n s SER 150 Ca -0.05 0.42 -0.17 0.00 0.70 0.00 0.00 55.95 56.85 1k1n s SER 150 Cb -0.07 1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 66.00 1k1n s SER 150 CO -0.02 -0.20 0.42 -0.31 1.20 0.00 0.00 173.24 174.32 1k1n s TYR 151 N 2.89 3.50 0.43 3.44 2.02 -1.26 -1.93 117.35 126.44 1k1n s TYR 151 Ca 0.14 0.80 -0.16 0.00 -0.37 0.00 0.00 57.07 57.49 1k1n s TYR 151 Cb -0.10 -2.48 -0.08 0.00 -0.40 0.00 0.00 41.96 38.90 1k1n s TYR 151 CO -0.21 0.21 0.87 -1.25 -1.57 0.00 0.00 175.55 173.60 1k1n s PRO 152 N 0.52 3.97 0.12 -1.71 0.04 -1.26 -4.98 135.00 131.69 1k1n s PRO 152 Ca 0.23 0.80 0.21 0.00 0.04 0.00 0.00 61.00 62.29 1k1n s PRO 152 Cb -0.14 -2.27 -0.11 0.00 0.04 0.00 0.00 34.50 32.02 1k1n s PRO 152 CO 0.08 -0.08 0.85 -0.25 0.04 0.00 0.00 177.00 177.65 1k1n n ASP 153 N -1.09 0.63 -4.78 6.66 8.00 -1.26 -4.88 116.55 119.83 1k1n n ASP 153 Ca 0.05 0.25 -0.25 0.00 0.71 0.00 0.00 54.79 55.55 1k1n n ASP 153 Cb 0.54 0.78 -0.06 0.00 -0.02 0.00 0.00 41.12 42.36 1k1n n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1k1n s VAL 154 N -3.31 4.33 0.24 2.53 -7.23 -1.26 -0.94 120.40 114.75 1k1n s VAL 154 Ca -0.03 -1.25 -0.31 0.00 -1.81 0.00 0.00 61.98 58.59 1k1n s VAL 154 Cb 0.10 -3.24 -0.11 0.00 0.56 0.00 0.00 36.38 33.69 1k1n s VAL 154 CO 0.82 -0.18 1.56 -0.22 -0.31 0.00 0.00 175.10 176.77 1k1n s LEU 155 N -3.29 4.37 0.03 1.32 2.96 -1.23 -4.83 118.68 118.00 1k1n s LEU 155 Ca 0.31 2.78 0.03 0.00 -0.22 0.00 0.00 54.13 57.04 1k1n s LEU 155 Cb -0.09 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1k1n s LEU 155 CO 0.23 -0.84 -0.04 -0.54 -1.32 0.00 0.00 176.35 173.84 1k1n s LYS 156 N 0.11 2.58 0.15 1.98 -0.14 -0.91 -1.84 119.74 121.68 1k1n s LYS 156 Ca 0.65 -0.74 0.09 0.00 -1.36 0.00 0.00 55.97 54.61 1k1n s LYS 156 Cb -0.45 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 33.11 1k1n s LYS 156 CO 0.41 0.59 -0.19 0.00 -0.76 0.00 0.00 175.35 175.40 1k1n s LEU 158 N -2.51 0.06 -0.16 0.00 2.96 0.49 -0.86 118.68 118.67 1k1n s LEU 158 Ca 0.14 0.74 -0.16 0.00 -0.22 0.00 0.00 54.13 54.63 1k1n s LEU 158 Cb -0.07 1.08 -0.04 0.00 0.50 0.00 0.00 46.19 47.66 1k1n s LEU 158 CO 0.06 -0.19 0.39 -0.75 -1.32 0.00 0.00 176.35 174.55 1k1n s LYS 159 N 1.46 4.26 -0.14 1.98 2.20 -1.26 -0.27 119.74 127.98 1k1n s LYS 159 Ca -0.09 0.26 -0.14 0.00 -0.36 0.00 0.00 55.97 55.65 1k1n s LYS 159 Cb -0.10 -3.46 0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1k1n s LYS 159 CO -0.11 0.12 0.39 0.00 -0.36 0.00 0.00 175.35 175.39 1k1n s ALA 160 N 0.79 -0.96 0.40 3.13 0.00 0.03 -4.95 121.76 120.20 1k1n s ALA 160 Ca 0.21 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.11 1k1n s ALA 160 Cb -0.14 -0.59 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 1k1n s ALA 160 CO 0.07 -0.19 0.77 -1.25 0.00 0.00 0.00 175.76 175.17 1k1n s PRO 161 N 0.10 3.80 0.08 0.00 0.04 -1.26 -0.46 135.00 137.30 1k1n s PRO 161 Ca -0.01 0.51 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 1k1n s PRO 161 Cb -0.03 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1k1n s PRO 161 CO 0.01 -0.03 1.03 0.42 0.04 0.00 0.00 177.00 178.47 1k1n s ILE 162 N -2.35 4.43 0.42 0.56 1.01 -0.16 -1.76 121.20 123.35 1k1n s ILE 162 Ca 0.52 1.90 -0.02 0.00 0.00 0.00 0.00 60.65 63.04 1k1n s ILE 162 Cb -0.10 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 1k1n s ILE 162 CO 0.30 0.23 0.68 -0.76 0.00 0.00 0.00 174.94 175.39 1k1n s LEU 163 N 0.40 3.79 0.73 2.97 1.43 0.35 -0.54 118.68 127.81 1k1n s LEU 163 Ca 0.51 0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 54.16 1k1n s LEU 163 Cb -0.25 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1k1n s LEU 163 CO 0.30 -0.47 1.12 -0.94 0.23 0.00 0.00 176.35 176.59 1k1n s SER 164 N -4.08 4.59 0.30 2.29 1.04 -1.26 -4.58 113.70 111.99 1k1n s SER 164 Ca 0.44 2.00 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 1k1n s SER 164 Cb -0.10 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 63.93 1k1n s SER 164 CO 0.41 -1.98 1.93 0.44 0.98 0.00 0.00 173.24 175.01 1k1n h ASP 165 N -0.58 0.86 -0.13 7.02 3.32 -1.97 -1.80 116.42 123.14 1k1n h ASP 165 Ca -0.45 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1k1n h ASP 165 Cb 1.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1k1n h ASP 165 CO 0.51 0.69 0.06 0.77 -1.72 0.00 0.00 179.24 179.55 1k1n h SER 166 N 0.98 0.18 -0.16 6.45 4.64 -1.99 0.14 113.55 123.79 1k1n h SER 166 Ca 0.25 -0.14 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 1k1n h SER 166 Cb 0.01 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 1k1n h SER 166 CO -0.04 0.27 -0.08 0.77 -0.87 0.00 0.00 176.83 176.88 1k1n h SER 167 N 0.07 0.46 0.15 4.97 4.64 -1.90 -0.22 113.55 121.72 1k1n h SER 167 Ca 0.04 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1k1n h SER 167 Cb 0.15 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1k1n h SER 167 CO -0.00 0.59 -0.07 0.00 -0.87 0.00 0.00 176.83 176.47 1k1n h LYS 169 N -0.45 0.47 -0.01 0.00 1.57 -0.56 -1.08 116.57 116.51 1k1n h LYS 169 Ca -0.02 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1k1n h LYS 169 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1k1n h LYS 169 CO 0.03 0.47 -0.55 0.77 -0.57 0.00 0.00 179.45 179.60 1k1n h SER 170 N 0.46 0.04 0.58 0.86 0.02 -0.88 -2.38 113.55 112.26 1k1n h SER 170 Ca 0.10 -0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.81 1k1n h SER 170 Cb 0.25 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1k1n h SER 170 CO 0.00 0.59 -1.00 0.00 -1.14 0.00 0.00 176.83 175.28 1k1n h ALA 171 N 1.41 0.35 -2.53 3.77 0.00 -0.45 -3.39 119.26 118.44 1k1n h ALA 171 Ca -0.00 -0.78 -0.60 0.00 0.00 0.00 0.00 54.91 53.52 1k1n h ALA 171 Cb 0.99 -0.05 -0.41 0.00 0.00 0.00 0.00 17.79 18.32 1k1n h ALA 171 CO 0.07 0.94 -0.74 0.66 0.00 0.00 0.00 179.25 180.18 1k1n n TYR 172 N -3.61 1.99 -1.67 0.00 4.02 -0.48 -4.92 117.16 112.48 1k1n n TYR 172 Ca -0.05 -3.96 -0.48 0.00 -0.01 0.00 0.00 57.90 53.40 1k1n n TYR 172 Cb 0.88 -0.39 -0.05 0.00 -0.02 0.00 0.00 39.34 39.77 1k1n n TYR 172 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1k1n n PRO 173 N 1.74 2.02 -1.66 -0.72 -0.02 -0.91 -2.45 135.00 133.00 1k1n n PRO 173 Ca 0.25 0.74 -0.16 0.00 -2.02 0.00 0.00 63.50 62.31 1k1n n PRO 173 Cb 0.42 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.32 1k1n n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k1n n GLY 174 N 3.83 1.16 0.00 -1.23 0.00 -1.26 -4.85 105.19 102.84 1k1n n GLY 174 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1k1n n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k1n n GLN 175 N -2.54 1.47 -2.90 1.61 6.02 -1.03 -5.02 117.38 114.99 1k1n n GLN 175 Ca -0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 1k1n n GLN 175 Cb 0.55 -0.91 -0.04 0.00 1.02 0.00 0.00 30.24 30.86 1k1n n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1k1n s ILE 176 N -1.65 4.87 0.47 5.09 -1.09 -1.25 -5.02 121.20 122.61 1k1n s ILE 176 Ca 0.00 1.60 0.08 0.00 -2.23 0.00 0.00 60.65 60.10 1k1n s ILE 176 Cb 0.00 -4.12 0.02 0.00 -1.58 0.00 0.00 42.46 36.77 1k1n s ILE 176 CO 0.00 0.00 0.52 0.42 -1.23 0.00 0.00 174.94 174.65 1k1n s THR 177 N 2.31 2.50 -1.11 2.92 -4.23 -1.26 -4.98 115.64 111.79 1k1n s THR 177 Ca 0.37 -1.20 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1k1n s THR 177 Cb -0.16 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 71.06 1k1n s THR 177 CO 0.11 0.00 1.23 -1.54 -0.54 0.00 0.00 174.62 173.88 1k1n n SER 178 N -1.80 0.00 -1.73 3.99 3.41 -1.26 -1.76 113.62 114.47 1k1n n SER 178 Ca 0.06 0.41 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1k1n n SER 178 Cb 0.61 -0.44 0.38 0.00 -0.26 0.00 0.00 64.21 64.50 1k1n n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k1n n ASN 179 N -1.44 5.29 -4.13 4.04 3.02 -1.26 -4.91 115.26 115.86 1k1n n ASN 179 Ca 0.03 -2.76 -0.11 0.00 -0.03 0.00 0.00 54.58 51.70 1k1n n ASN 179 Cb 0.09 -0.64 -0.11 0.00 -0.61 0.00 0.00 39.78 38.52 1k1n n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1k1n s MET 180 N -2.42 0.72 -0.02 3.52 -1.94 -0.72 -0.70 119.30 117.73 1k1n s MET 180 Ca 0.53 -1.11 -0.13 0.00 -1.71 0.00 0.00 55.69 53.26 1k1n s MET 180 Cb 0.38 -0.24 0.02 0.00 2.01 0.00 0.00 34.83 37.00 1k1n s MET 180 CO 0.19 0.01 0.28 -0.59 -0.01 0.00 0.00 175.02 174.89 1k1n s PHE 181 N -2.77 -0.15 0.04 -0.03 -0.12 -0.29 -4.79 117.98 109.88 1k1n s PHE 181 Ca 0.03 0.22 -0.06 0.00 -0.05 0.00 0.00 56.93 57.07 1k1n s PHE 181 Cb -0.01 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1k1n s PHE 181 CO -0.03 -0.36 0.29 0.00 -0.05 0.00 0.00 175.22 175.07 1k1n s ALA 183 N -1.39 -0.81 0.00 0.00 0.00 -0.78 -0.50 121.76 118.27 1k1n s ALA 183 Ca 0.31 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1k1n s ALA 183 Cb -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1k1n s ALA 183 CO 0.19 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1k1n n GLY 184 N 2.94 0.68 2.89 0.00 0.00 -0.72 -2.52 105.19 108.46 1k1n n GLY 184 Ca -0.13 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 1k1n n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k1n s TYR 184 N -3.98 0.94 0.40 1.61 1.51 -1.26 -4.38 117.35 112.19 1k1n s TYR 184 Ca 0.00 -0.33 0.35 0.00 -1.01 0.00 0.00 57.07 56.08 1k1n s TYR 184 Cb 0.00 -0.84 1.74 0.00 -0.11 0.00 0.00 41.96 42.75 1k1n s TYR 184 CO 0.00 -0.28 2.14 -0.07 -1.11 0.00 0.00 175.55 176.23 1k1n h LEU 185 N 7.54 0.00 -1.25 -1.29 3.38 -1.95 -0.99 115.31 120.75 1k1n h LEU 185 Ca -0.32 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1k1n h LEU 185 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1k1n h LEU 185 CO 0.42 0.04 -0.11 -0.33 0.09 0.00 0.00 178.44 178.55 1k1n h GLU 186 N 0.00 0.00 0.00 1.13 3.07 -1.95 0.51 114.58 117.34 1k1n h GLU 186 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1k1n h GLU 186 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1k1n h GLU 186 CO 0.01 0.11 0.00 0.41 -1.40 0.00 0.00 179.01 178.14 1k1n n GLY 187 N 0.11 -2.23 2.04 -3.84 0.00 -0.38 -4.43 105.19 96.47 1k1n n GLY 187 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1k1n n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k1n n GLY 188 N -0.25 3.11 2.81 -0.02 0.00 -0.42 -4.89 105.19 105.52 1k1n n GLY 188 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1k1n n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1n s LYS 188 N -0.35 0.32 -0.17 1.61 1.02 -1.26 -3.67 119.74 117.24 1k1n s LYS 188 Ca 0.00 0.09 -0.35 0.00 0.02 0.00 0.00 55.97 55.73 1k1n s LYS 188 Cb 0.00 -0.53 0.15 0.00 -0.52 0.00 0.00 37.83 36.93 1k1n s LYS 188 CO 0.00 -0.15 1.38 0.34 -0.92 0.00 0.00 175.35 176.00 1k1n s ASP 189 N 1.14 -0.02 0.84 2.83 3.68 -0.62 -4.30 116.67 120.22 1k1n s ASP 189 Ca -0.08 -0.02 -0.13 0.00 2.13 0.00 0.00 52.55 54.45 1k1n s ASP 189 Cb -0.13 0.04 0.11 0.00 -1.45 0.00 0.00 42.92 41.48 1k1n s ASP 189 CO -0.02 -0.07 1.21 -0.94 0.13 0.00 0.00 175.17 175.48 1k1n s SER 190 N -2.54 4.19 0.05 -0.34 1.04 -1.26 -0.08 113.70 114.76 1k1n s SER 190 Ca 0.13 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.24 1k1n s SER 190 Cb 0.03 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 65.07 1k1n s SER 190 CO -0.04 -2.09 0.08 0.00 0.98 0.00 0.00 173.24 172.16 1k1n n GLN 192 N -0.07 2.29 0.00 0.00 6.02 -1.26 -1.38 117.38 122.98 1k1n n GLN 192 Ca -0.01 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1k1n n GLN 192 Cb 0.07 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 28.71 1k1n n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k1n n GLY 193 N 3.62 1.40 0.01 1.08 0.00 -1.26 -0.45 105.19 109.60 1k1n n GLY 193 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1k1n n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k1n n ASP 194 N 0.00 0.64 -4.48 1.61 10.43 -0.48 -3.80 116.55 120.47 1k1n n ASP 194 Ca 0.00 -0.37 -0.52 0.00 2.57 0.00 0.00 54.79 56.47 1k1n n ASP 194 Cb 0.00 0.53 -0.05 0.00 1.84 0.00 0.00 41.12 43.44 1k1n n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1k1n n SER 195 N -1.64 -0.23 0.00 -2.24 7.64 -1.26 -0.58 113.62 115.31 1k1n n SER 195 Ca 0.04 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1k1n n SER 195 Cb 0.36 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1k1n n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1n n GLY 196 N 1.80 2.84 3.64 0.23 0.00 -0.60 -0.17 105.19 112.92 1k1n n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1k1n n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k1n s GLY 197 N -1.68 1.63 0.43 -0.02 0.00 0.26 -3.31 107.32 104.62 1k1n s GLY 197 Ca 0.00 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.75 1k1n s GLY 197 CO 0.00 0.71 0.87 2.56 0.00 0.00 0.00 173.10 177.24 1k1n s PRO 198 N -4.68 3.97 -0.27 2.90 0.04 -1.26 -1.56 135.00 134.14 1k1n s PRO 198 Ca 0.66 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 1k1n s PRO 198 Cb -0.22 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1k1n s PRO 198 CO 0.60 -0.07 0.06 0.08 0.04 0.00 0.00 177.00 177.71 1k1n s VAL 199 N -2.33 0.82 -0.17 -0.36 1.01 -0.80 -3.37 120.40 115.20 1k1n s VAL 199 Ca 0.56 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.37 1k1n s VAL 199 Cb -0.10 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1k1n s VAL 199 CO 0.25 -0.47 0.05 -0.69 0.00 0.00 0.00 175.10 174.23 1k1n s VAL 200 N 1.68 4.70 -0.03 2.92 1.01 -0.46 -0.76 120.40 129.46 1k1n s VAL 200 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1k1n s VAL 200 Cb -0.17 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.13 1k1n s VAL 200 CO -0.18 0.48 -0.00 0.00 0.00 0.00 0.00 175.10 175.39 1k1n n SER 202 N 4.04 -5.75 -0.19 0.00 7.64 -1.26 -1.88 113.62 116.22 1k1n n SER 202 Ca -0.26 -0.57 -0.02 0.00 1.01 0.00 0.00 58.87 59.02 1k1n n SER 202 Cb 0.51 -4.56 -0.01 0.00 -1.01 0.00 0.00 64.21 59.13 1k1n n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k1n n GLY 203 N -1.80 0.42 3.35 0.23 0.00 -1.26 -4.99 105.19 101.13 1k1n n GLY 203 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1k1n n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k1n s LYS 204 N -1.57 1.34 -0.47 1.61 -0.14 -0.79 -4.33 119.74 115.38 1k1n s LYS 204 Ca 0.00 -1.48 -0.28 0.00 -1.36 0.00 0.00 55.97 52.85 1k1n s LYS 204 Cb 0.00 -1.36 0.03 0.00 -1.68 0.00 0.00 37.83 34.82 1k1n s LYS 204 CO 0.00 0.27 1.08 -1.17 -0.76 0.00 0.00 175.35 174.77 1k1n s LEU 209 N -2.87 3.73 -0.10 3.17 2.96 -0.43 -1.50 118.68 123.65 1k1n s LEU 209 Ca 0.19 0.37 0.14 0.00 -0.22 0.00 0.00 54.13 54.61 1k1n s LEU 209 Cb -0.05 -3.45 -0.20 0.00 0.50 0.00 0.00 46.19 42.98 1k1n s LEU 209 CO 0.08 -1.20 0.16 0.00 -1.32 0.00 0.00 176.35 174.06 1k1n n GLN 210 N 7.66 1.20 -4.14 1.98 1.13 0.06 -4.01 117.38 121.26 1k1n n GLN 210 Ca 0.10 -0.06 -0.11 0.00 -1.94 0.00 0.00 57.00 55.00 1k1n n GLN 210 Cb 0.49 -1.37 -0.09 0.00 0.11 0.00 0.00 30.24 29.37 1k1n n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1k1n s GLY 211 N -4.43 1.15 -0.05 1.08 0.00 -0.75 -1.72 107.32 102.60 1k1n s GLY 211 Ca -0.07 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.18 1k1n s GLY 211 CO 0.62 -1.24 -0.04 -0.42 0.00 0.00 0.00 173.10 172.01 1k1n s ILE 212 N -4.10 0.57 -0.11 0.90 1.01 -1.12 -1.90 121.20 116.45 1k1n s ILE 212 Ca 0.32 -0.12 -0.32 0.00 0.00 0.00 0.00 60.65 60.53 1k1n s ILE 212 Cb 0.06 -0.60 -0.09 0.00 0.01 0.00 0.00 42.46 41.83 1k1n s ILE 212 CO 0.09 0.24 2.02 0.52 0.00 0.00 0.00 174.94 177.81 1k1n n VAL 213 N 4.19 0.55 0.00 2.92 0.31 -0.60 -1.57 118.33 124.13 1k1n n VAL 213 Ca -0.22 -0.21 -0.01 0.00 -0.01 0.00 0.00 64.34 63.89 1k1n n VAL 213 Cb 0.51 -2.15 -0.00 0.00 -0.91 0.00 0.00 33.84 31.28 1k1n n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k1n n SER 214 N 8.42 0.31 -3.31 4.52 2.88 -1.08 -1.56 113.62 123.80 1k1n n SER 214 Ca 0.25 0.04 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 1k1n n SER 214 Cb 0.36 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1k1n n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1k1n s TRP 215 N -1.29 0.08 -0.21 0.66 1.48 -0.86 -4.94 118.94 113.85 1k1n s TRP 215 Ca -0.02 -0.64 -0.36 0.00 -1.06 0.00 0.00 56.10 54.02 1k1n s TRP 215 Cb 0.00 0.72 0.15 0.00 -1.16 0.00 0.00 33.47 33.18 1k1n s TRP 215 CO 0.03 -1.41 1.36 0.20 -4.06 0.00 0.00 176.95 173.07 1k1n s GLY 216 N -3.03 -0.30 -0.91 3.67 0.00 -1.26 -0.02 107.32 105.47 1k1n s GLY 216 Ca 0.15 1.55 -0.22 0.00 0.00 0.00 0.00 44.72 46.20 1k1n s GLY 216 CO 0.10 0.47 1.25 -0.45 0.00 0.00 0.00 173.10 174.47 1k1n s SER 217 N -2.35 6.48 0.36 1.64 0.15 -1.26 -4.85 113.70 113.86 1k1n s SER 217 Ca 0.12 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1k1n s SER 217 Cb 0.02 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1k1n s SER 217 CO -0.04 -1.36 0.00 0.61 1.20 0.00 0.00 173.24 173.66 1k1n n GLY 219 N 6.02 -0.31 3.00 9.45 0.00 -1.26 -4.60 105.19 117.48 1k1n n GLY 219 Ca 0.22 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1k1n n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k1n n ALA 221 N 3.54 -0.76 -1.90 0.00 0.00 -1.26 -4.63 120.51 115.50 1k1n n ALA 221 Ca -0.21 0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1k1n n ALA 221 Cb 0.53 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 1k1n n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k1n s GLN 221 N -5.10 4.39 0.23 0.00 -1.52 -1.26 -1.30 119.66 115.11 1k1n s GLN 221 Ca 0.03 1.12 -0.31 0.00 -1.95 0.00 0.00 55.36 54.25 1k1n s GLN 221 Cb -0.01 -2.67 -0.11 0.00 -0.22 0.00 0.00 33.01 29.99 1k1n s GLN 221 CO 0.03 0.24 1.65 0.21 -0.25 0.00 0.00 175.29 177.17 1k1n s LYS 222 N -2.32 4.14 0.00 2.91 2.20 -1.26 -1.88 119.74 123.53 1k1n s LYS 222 Ca 0.51 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.68 1k1n s LYS 222 Cb -0.16 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 1k1n s LYS 222 CO 0.21 -0.68 0.00 0.09 -0.36 0.00 0.00 175.35 174.60 1k1n n ASN 223 N 3.29 -2.69 -3.60 1.43 3.02 0.18 -4.92 115.26 111.96 1k1n n ASN 223 Ca 0.13 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.40 1k1n n ASN 223 Cb 0.36 -1.67 -0.10 0.00 -0.61 0.00 0.00 39.78 37.77 1k1n n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k1n n LYS 224 N -1.43 1.77 -1.20 3.52 4.76 -0.79 -4.73 118.16 120.06 1k1n n LYS 224 Ca 0.00 -4.27 -0.29 0.00 -2.87 0.00 0.00 58.31 50.88 1k1n n LYS 224 Cb 0.15 -2.10 0.19 0.00 -1.84 0.00 0.00 35.03 31.43 1k1n n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1k1n s PRO 225 N -1.61 0.11 0.33 1.97 0.04 -1.26 -4.15 135.00 130.43 1k1n s PRO 225 Ca 0.32 0.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 1k1n s PRO 225 Cb 0.06 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.78 1k1n s PRO 225 CO -0.11 -2.90 0.99 0.20 0.04 0.00 0.00 177.00 175.21 1k1n s GLY 226 N -3.63 2.85 -0.16 0.56 0.00 -1.05 -4.57 107.32 101.32 1k1n s GLY 226 Ca 0.67 0.62 -0.05 0.00 0.00 0.00 0.00 44.72 45.96 1k1n s GLY 226 CO 0.57 1.10 -0.01 0.14 0.00 0.00 0.00 173.10 174.89 1k1n s VAL 227 N -1.53 4.10 0.09 1.40 1.01 0.98 -1.87 120.40 124.58 1k1n s VAL 227 Ca 0.50 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.29 1k1n s VAL 227 Cb -0.22 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1k1n s VAL 227 CO 0.28 0.48 -0.24 -0.31 0.00 0.00 0.00 175.10 175.31 1k1n s TYR 228 N 0.41 2.03 0.06 5.22 2.02 0.56 -2.04 117.35 125.61 1k1n s TYR 228 Ca -0.02 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.98 1k1n s TYR 228 Cb -0.14 -1.14 -0.06 0.00 -0.40 0.00 0.00 41.96 40.22 1k1n s TYR 228 CO 0.02 0.22 1.33 0.99 -1.57 0.00 0.00 175.55 176.53 1k1n s THR 229 N -1.01 3.69 -0.96 -0.71 2.01 -0.61 -1.13 115.64 116.91 1k1n s THR 229 Ca 0.10 1.17 -0.24 0.00 0.31 0.00 0.00 61.69 63.03 1k1n s THR 229 Cb -0.10 -3.75 0.04 0.00 0.01 0.00 0.00 72.50 68.70 1k1n s THR 229 CO 0.04 0.06 1.47 -0.75 -0.69 0.00 0.00 174.62 174.75 1k1n s LYS 230 N 1.51 3.42 0.40 4.92 2.20 0.12 -2.78 119.74 129.52 1k1n s LYS 230 Ca 0.62 -0.88 0.10 0.00 -0.36 0.00 0.00 55.97 55.45 1k1n s LYS 230 Cb -0.32 -5.13 0.89 0.00 -1.51 0.00 0.00 37.83 31.75 1k1n s LYS 230 CO 0.28 -2.31 1.97 0.28 -0.36 0.00 0.00 175.35 175.21 1k1n h VAL 231 N 6.72 0.95 -0.03 4.02 2.07 -1.65 -2.51 116.25 125.83 1k1n h VAL 231 Ca 0.11 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1k1n h VAL 231 Cb 1.02 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1k1n h VAL 231 CO 1.38 0.11 0.07 0.00 0.02 0.00 0.00 177.57 179.14 1k1n h ASN 233 N 0.00 0.00 -0.15 0.00 2.35 -1.84 -3.29 115.58 112.65 1k1n h ASN 233 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1k1n h ASN 233 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1k1n h ASN 233 CO -0.00 0.00 0.00 -1.22 -1.65 0.00 0.00 177.43 174.56 1k1n n TYR 234 N -2.51 0.18 -0.32 1.19 4.01 0.30 -4.67 117.16 115.34 1k1n n TYR 234 Ca 0.04 -0.15 0.09 0.00 -0.16 0.00 0.00 57.90 57.73 1k1n n TYR 234 Cb 0.42 -0.01 0.26 0.00 -0.31 0.00 0.00 39.34 39.70 1k1n n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1k1n h VAL 235 N 2.81 0.73 -0.25 -0.72 2.07 -1.61 0.19 116.25 119.46 1k1n h VAL 235 Ca 0.00 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1k1n h VAL 235 Cb 0.67 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1k1n h VAL 235 CO 0.00 0.13 0.02 0.28 0.02 0.00 0.00 177.57 178.02 1k1n h SER 236 N 0.70 0.42 -0.43 0.57 0.02 -1.87 -0.90 113.55 112.06 1k1n h SER 236 Ca 0.51 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1k1n h SER 236 Cb 0.74 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 1k1n h SER 236 CO -0.37 0.60 0.24 -0.25 -1.14 0.00 0.00 176.83 175.92 1k1n h TRP 237 N 0.22 0.58 0.19 3.45 7.01 -1.68 -1.01 115.95 124.72 1k1n h TRP 237 Ca 0.07 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1k1n h TRP 237 Cb 0.38 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.25 1k1n h TRP 237 CO 0.03 0.43 -0.10 0.82 -2.79 0.00 0.00 178.44 176.83 1k1n h ILE 238 N 0.56 0.80 -0.17 2.65 2.04 -0.85 -1.01 117.51 121.52 1k1n h ILE 238 Ca 0.15 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1k1n h ILE 238 Cb 0.04 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1k1n h ILE 238 CO -0.03 0.00 0.06 0.11 0.00 0.00 0.00 178.15 178.30 1k1n h LYS 239 N -0.27 0.15 -0.30 2.37 1.57 -1.03 -1.75 116.57 117.31 1k1n h LYS 239 Ca -0.02 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1k1n h LYS 239 Cb 0.21 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1k1n h LYS 239 CO 0.04 0.10 0.17 1.96 -0.57 0.00 0.00 179.45 181.14 1k1n h GLN 240 N 0.15 0.33 0.07 3.15 4.20 -1.11 -1.46 115.11 120.45 1k1n h GLN 240 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 1k1n h GLN 240 Cb 0.04 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1k1n h GLN 240 CO -0.07 0.22 -0.06 1.15 -0.67 0.00 0.00 178.83 179.40 1k1n h THR 241 N 0.34 0.85 -0.77 -0.54 2.02 -1.01 -2.58 112.91 111.23 1k1n h THR 241 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 1k1n h THR 241 Cb 0.02 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1k1n h THR 241 CO -0.07 0.00 0.51 0.40 0.37 0.00 0.00 175.52 176.73 1k1n h ILE 242 N -0.15 1.15 0.00 3.11 2.04 -1.22 -1.62 117.51 120.82 1k1n h ILE 242 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1k1n h ILE 242 Cb 0.14 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 1k1n h ILE 242 CO -0.02 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.31 1k1n h ALA 243 N 1.54 1.00 0.00 1.87 0.00 -0.89 -3.20 119.26 119.58 1k1n h ALA 243 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1k1n h ALA 243 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1k1n h ALA 243 CO -0.08 0.00 -0.04 0.43 0.00 0.00 0.00 179.25 179.56 1k1n n SER 244 N -2.83 1.91 0.00 0.00 7.64 -0.66 -5.09 113.62 114.58 1k1n n SER 244 Ca 0.00 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.43 1k1n n SER 244 Cb 0.24 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1k1n n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62