#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4c n PRO 2 N 0.00 0.76 -1.84 1.61 -0.04 -1.26 -4.83 135.00 129.40 1n4c n PRO 2 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1n4c n PRO 2 Cb 0.00 -1.27 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 1n4c n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n4c s LEU 3 N -1.53 3.30 0.00 1.53 1.02 -1.26 -5.01 118.68 116.74 1n4c s LEU 3 Ca 0.19 1.64 0.00 0.00 0.02 0.00 0.00 54.13 55.98 1n4c s LEU 3 Cb 0.09 -4.50 0.00 0.00 0.02 0.00 0.00 46.19 41.79 1n4c s LEU 3 CO 0.15 -1.19 0.00 0.61 0.02 0.00 0.00 176.35 175.94 1n4c n GLY 4 N -1.76 2.55 2.72 -3.19 0.00 -1.26 -5.09 105.19 99.15 1n4c n GLY 4 Ca 0.08 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 1n4c n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n4c n SER 5 N 0.00 -2.18 0.00 1.61 7.64 -1.26 -4.98 113.62 114.45 1n4c n SER 5 Ca 0.00 -3.39 0.11 0.00 1.01 0.00 0.00 58.87 56.60 1n4c n SER 5 Cb 0.00 1.80 0.50 0.00 -1.01 0.00 0.00 64.21 65.50 1n4c n SER 5 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1n4c n PRO 6 N 0.43 0.04 0.27 1.43 -0.04 -1.26 -3.25 135.00 132.62 1n4c n PRO 6 Ca 0.04 0.10 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 1n4c n PRO 6 Cb 0.71 -1.50 0.77 0.00 -0.04 0.00 0.00 33.50 33.44 1n4c n PRO 6 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1n4c h GLU 7 N 0.00 0.00 0.00 0.54 5.08 -1.93 -1.87 114.58 116.40 1n4c h GLU 7 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n4c h GLU 7 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1n4c h GLU 7 CO 0.00 0.09 0.00 0.34 -1.00 0.00 0.00 179.01 178.44 1n4c n PHE 8 N -3.45 0.00 -2.75 4.33 7.35 -1.20 -3.59 117.46 118.15 1n4c n PHE 8 Ca -0.01 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.62 1n4c n PHE 8 Cb 0.24 -0.30 0.03 0.00 0.35 0.00 0.00 39.48 39.81 1n4c n PHE 8 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1n4c n SER 9 N -1.30 -2.97 -2.70 -2.13 3.41 -0.70 -5.05 113.62 102.17 1n4c n SER 9 Ca 0.01 -2.93 -0.06 0.00 -0.26 0.00 0.00 58.87 55.63 1n4c n SER 9 Cb 0.02 1.68 0.06 0.00 -0.26 0.00 0.00 64.21 65.71 1n4c n SER 9 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1n4c n MET 10 N 2.24 0.41 -0.61 4.33 0.00 -1.24 -5.02 117.12 117.22 1n4c n MET 10 Ca 0.12 -1.17 -0.13 0.00 0.00 0.00 0.00 57.70 56.52 1n4c n MET 10 Cb 0.61 -0.77 0.10 0.00 0.00 0.00 0.00 33.22 33.15 1n4c n MET 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1n4c n PRO 11 N 1.67 -1.47 -1.27 2.12 -0.02 -1.26 -4.82 135.00 129.94 1n4c n PRO 11 Ca 0.06 -0.44 -0.36 0.00 -2.02 0.00 0.00 63.50 60.73 1n4c n PRO 11 Cb 0.67 -1.30 0.06 0.00 -0.02 0.00 0.00 33.50 32.91 1n4c n PRO 11 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1n4c n HIS 12 N -3.92 -0.91 -3.63 6.00 8.25 -1.26 -5.00 115.22 114.75 1n4c n HIS 12 Ca 0.04 0.35 -0.03 0.00 -0.26 0.00 0.00 57.72 57.82 1n4c n HIS 12 Cb 0.25 -1.91 -0.05 0.00 1.12 0.00 0.00 29.99 29.40 1n4c n HIS 12 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1n4c s SER 13 N -1.43 -1.02 -0.39 0.41 0.15 -1.26 -5.07 113.70 105.09 1n4c s SER 13 Ca 0.65 1.48 0.05 0.00 0.70 0.00 0.00 55.95 58.83 1n4c s SER 13 Cb -0.36 1.91 0.32 0.00 -1.71 0.00 0.00 66.02 66.18 1n4c s SER 13 CO 0.58 -0.22 1.27 -0.24 1.20 0.00 0.00 173.24 175.84 1n4c n SER 14 N 4.96 -1.74 -4.56 5.45 2.88 -1.26 -5.09 113.62 114.25 1n4c n SER 14 Ca -0.15 -2.71 -0.35 0.00 -1.33 0.00 0.00 58.87 54.33 1n4c n SER 14 Cb 0.53 1.51 -0.04 0.00 -0.75 0.00 0.00 64.21 65.46 1n4c n SER 14 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n4c s PRO 15 N 0.15 3.11 -0.97 -1.46 0.04 -1.26 -4.90 135.00 129.70 1n4c s PRO 15 Ca 0.21 -0.63 -0.24 0.00 0.04 0.00 0.00 61.00 60.38 1n4c s PRO 15 Cb 0.29 -5.09 -0.17 0.00 0.04 0.00 0.00 34.50 29.58 1n4c s PRO 15 CO -0.13 -2.68 1.94 1.04 0.04 0.00 0.00 177.00 177.21 1n4c n GLN 16 N 8.93 1.08 0.00 4.56 6.02 -1.26 -4.63 117.38 132.08 1n4c n GLN 16 Ca 0.33 -2.04 0.07 0.00 -0.01 0.00 0.00 57.00 55.34 1n4c n GLN 16 Cb 0.49 -3.51 0.36 0.00 1.02 0.00 0.00 30.24 28.60 1n4c n GLN 16 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1n4c n ASN 17 N 13.92 0.00 -3.52 1.08 3.02 -1.26 -4.72 115.26 123.78 1n4c n ASN 17 Ca 0.45 -0.10 -0.13 0.00 -0.03 0.00 0.00 54.58 54.77 1n4c n ASN 17 Cb 0.45 -0.18 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 1n4c n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n4c s ARG 18 N -2.36 0.91 0.40 3.52 1.70 -1.26 -5.15 118.95 116.71 1n4c s ARG 18 Ca 0.15 0.02 -0.16 0.00 -0.47 0.00 0.00 55.73 55.28 1n4c s ARG 18 Cb 0.09 0.42 -0.13 0.00 -0.57 0.00 0.00 34.95 34.77 1n4c s ARG 18 CO 0.18 -0.32 -0.05 -2.30 -1.08 0.00 0.00 175.30 171.73 1n4c n PRO 19 N 0.47 0.00 -3.60 3.89 -0.02 -1.26 -5.00 135.00 129.49 1n4c n PRO 19 Ca -0.14 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.32 1n4c n PRO 19 Cb 0.59 -0.84 -0.06 0.00 -0.02 0.00 0.00 33.50 33.17 1n4c n PRO 19 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n4c s ASN 20 N -0.84 -0.60 -0.02 2.55 4.22 -1.26 -5.08 114.94 113.90 1n4c s ASN 20 Ca 0.49 0.93 -0.08 0.00 -2.14 0.00 0.00 52.86 52.05 1n4c s ASN 20 Cb -0.46 1.37 -0.04 0.00 1.28 0.00 0.00 41.25 43.40 1n4c s ASN 20 CO 0.55 -0.14 0.50 0.22 -2.04 0.00 0.00 177.10 176.19 1n4c h TYR 21 N 6.56 -0.27 0.00 1.54 3.20 -2.01 -3.49 116.97 122.49 1n4c h TYR 21 Ca -0.25 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1n4c h TYR 21 Cb 1.18 0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.54 1n4c h TYR 21 CO 0.13 -0.17 0.00 -1.71 -1.64 0.00 0.00 178.16 174.77 1n4c n ASN 22 N -3.75 0.00 -4.52 -2.11 4.05 -1.26 -5.02 115.26 102.65 1n4c n ASN 22 Ca -0.04 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.57 1n4c n ASN 22 Cb 0.12 0.13 -0.00 0.00 1.23 0.00 0.00 39.78 41.25 1n4c n ASN 22 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1n4c n VAL 23 N -1.39 3.78 0.01 3.44 0.31 -1.26 -4.81 118.33 118.41 1n4c n VAL 23 Ca 0.00 -3.89 -0.00 0.00 -0.01 0.00 0.00 64.34 60.43 1n4c n VAL 23 Cb 0.00 -2.36 -0.00 0.00 -0.91 0.00 0.00 33.84 30.57 1n4c n VAL 23 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1n4c h SER 24 N 7.60 -0.02 0.00 4.52 0.87 -1.98 -3.46 113.55 121.09 1n4c h SER 24 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 1n4c h SER 24 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 1n4c h SER 24 CO 1.48 -0.01 0.00 0.33 -0.53 0.00 0.00 176.83 178.09 1n4c n PHE 25 N -2.05 0.00 -0.18 2.24 7.35 -1.26 -4.96 117.46 118.59 1n4c n PHE 25 Ca -0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 1n4c n PHE 25 Cb 0.01 0.06 0.15 0.00 0.35 0.00 0.00 39.48 40.05 1n4c n PHE 25 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1n4c h SER 26 N 0.00 0.89 -3.48 -2.13 4.64 -1.94 -3.43 113.55 108.10 1n4c h SER 26 Ca 0.00 -0.16 -0.47 0.00 -0.47 0.00 0.00 61.79 60.70 1n4c h SER 26 Cb 0.38 -0.23 0.21 0.00 -0.31 0.00 0.00 62.40 62.45 1n4c h SER 26 CO 0.00 0.84 -0.03 -0.24 -0.87 0.00 0.00 176.83 176.53 1n4c n SER 27 N -4.27 -1.18 -2.71 4.97 2.88 -1.26 -5.00 113.62 107.05 1n4c n SER 27 Ca 0.05 0.03 -0.06 0.00 -1.33 0.00 0.00 58.87 57.56 1n4c n SER 27 Cb 0.22 -1.30 0.06 0.00 -0.75 0.00 0.00 64.21 62.43 1n4c n SER 27 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1n4c n MET 28 N -4.45 0.42 -1.39 -1.46 1.56 -1.26 -5.11 117.12 105.43 1n4c n MET 28 Ca 0.06 -1.19 -0.55 0.00 -0.27 0.00 0.00 57.70 55.75 1n4c n MET 28 Cb 0.54 -0.80 -0.09 0.00 2.15 0.00 0.00 33.22 35.02 1n4c n MET 28 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1n4c n PRO 29 N 1.64 0.62 0.00 2.12 -0.02 -1.26 -4.83 135.00 133.26 1n4c n PRO 29 Ca 0.05 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1n4c n PRO 29 Cb 0.67 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1n4c n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1n4c n GLY 30 N 6.75 1.89 0.00 -1.23 0.00 -1.26 -5.17 105.19 106.18 1n4c n GLY 30 Ca 0.46 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.88 1n4c n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n4c n GLY 31 N 0.00 -2.62 0.72 -0.02 0.00 -1.26 -4.76 105.19 97.25 1n4c n GLY 31 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1n4c n GLY 31 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1n4c n GLN 32 N -0.61 0.85 -3.56 1.61 3.00 -1.26 -4.76 117.38 112.66 1n4c n GLN 32 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1n4c n GLN 32 Cb 0.00 -1.27 -0.02 0.00 0.00 0.00 0.00 30.24 28.95 1n4c n GLN 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1n4c s ASN 33 N 0.36 -0.30 0.00 1.08 4.22 -1.26 -4.69 114.94 114.35 1n4c s ASN 33 Ca 0.00 -0.06 0.00 0.00 -2.14 0.00 0.00 52.86 50.66 1n4c s ASN 33 Cb 0.00 0.36 0.00 0.00 1.28 0.00 0.00 41.25 42.89 1n4c s ASN 33 CO 0.00 -0.60 0.00 -0.62 -2.04 0.00 0.00 177.10 173.84 1n4c n GLU 34 N -0.27 0.00 0.04 3.55 1.02 -1.26 -4.91 120.64 118.81 1n4c n GLU 34 Ca -0.07 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.10 1n4c n GLU 34 Cb 0.61 0.00 0.40 0.00 -0.02 0.00 0.00 31.44 32.43 1n4c n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1n4c h ARG 35 N 0.00 0.44 0.00 3.49 3.08 -2.01 -3.48 114.38 115.89 1n4c h ARG 35 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1n4c h ARG 35 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1n4c h ARG 35 CO 0.00 0.38 0.00 0.41 -1.07 0.00 0.00 179.97 179.69 1n4c n GLY 36 N -1.21 -0.64 3.55 0.04 0.00 -1.26 -5.06 105.19 100.62 1n4c n GLY 36 Ca 0.01 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1n4c n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1n4c s LYS 37 N -1.26 2.31 0.91 1.61 2.20 -1.26 -4.84 119.74 119.42 1n4c s LYS 37 Ca 0.00 1.10 -0.11 0.00 -0.36 0.00 0.00 55.97 56.60 1n4c s LYS 37 Cb 0.00 -4.50 0.12 0.00 -1.51 0.00 0.00 37.83 31.93 1n4c s LYS 37 CO 0.00 -3.05 0.98 0.00 -0.36 0.00 0.00 175.35 172.92 1n4c n ALA 38 N 14.63 -1.14 -3.00 3.13 0.00 -1.26 -4.99 120.51 127.88 1n4c n ALA 38 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1n4c n ALA 38 Cb 0.54 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1n4c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c n ALA 39 N -3.99 0.00 -1.00 0.00 0.00 -1.26 -5.14 120.51 109.12 1n4c n ALA 39 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1n4c n ALA 39 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1n4c n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c n ALA 40 N -3.00 0.00 -1.75 0.00 0.00 -1.26 -5.10 120.51 109.39 1n4c n ALA 40 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1n4c n ALA 40 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1n4c n ALA 40 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1n4c s ASN 41 N 2.00 6.39 1.03 0.00 0.01 -1.26 -4.95 114.94 118.16 1n4c s ASN 41 Ca 0.00 2.89 -0.14 0.00 -0.71 0.00 0.00 52.86 54.90 1n4c s ASN 41 Cb 0.00 -2.61 0.19 0.00 0.41 0.00 0.00 41.25 39.24 1n4c s ASN 41 CO 0.00 -0.94 0.39 0.00 -1.51 0.00 0.00 177.10 175.03 1n4c n LEU 42 N 3.26 -1.23 -4.84 0.60 -0.00 -1.26 -4.91 117.00 108.62 1n4c n LEU 42 Ca 0.13 -0.43 -0.32 0.00 -0.00 0.00 0.00 56.01 55.39 1n4c n LEU 42 Cb 0.36 -0.78 -0.03 0.00 -0.00 0.00 0.00 43.42 42.98 1n4c n LEU 42 CO 0.64 -3.35 0.69 -1.61 -0.00 0.00 0.00 177.39 173.75 1n4c s GLU 43 N -3.58 3.86 -0.27 1.47 0.41 -1.26 -5.06 118.70 114.26 1n4c s GLU 43 Ca 0.37 0.99 -0.26 0.00 -0.41 0.00 0.00 54.97 55.67 1n4c s GLU 43 Cb -0.06 -2.12 0.13 0.00 -1.78 0.00 0.00 34.13 30.29 1n4c s GLU 43 CO 0.33 -0.35 1.06 0.20 -0.49 0.00 0.00 175.26 176.02 1n4c s GLY 44 N -3.04 -0.12 -0.13 -1.39 0.00 -1.26 -5.01 107.32 96.37 1n4c s GLY 44 Ca 0.60 2.68 0.00 0.00 0.00 0.00 0.00 44.72 48.00 1n4c s GLY 44 CO 0.32 1.76 1.62 0.58 0.00 0.00 0.00 173.10 177.38 1n4c n LYS 45 N 2.01 1.34 -0.27 2.90 0.00 -1.26 -4.45 118.16 118.42 1n4c n LYS 45 Ca -0.12 -0.72 0.26 0.00 -0.00 0.00 0.00 58.31 57.73 1n4c n LYS 45 Cb 0.56 -1.28 0.60 0.00 -0.00 0.00 0.00 35.03 34.91 1n4c n LYS 45 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1n4c h GLN 46 N 0.74 0.23 0.00 -1.58 -0.00 -2.01 -3.30 115.11 109.19 1n4c h GLN 46 Ca 0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.78 1n4c h GLN 46 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.61 1n4c h GLN 46 CO 0.31 0.15 0.00 0.36 0.00 0.00 0.00 178.83 179.65 1n4c n LYS 47 N -4.44 0.00 0.20 1.69 2.85 -1.26 -4.91 118.16 112.29 1n4c n LYS 47 Ca 0.23 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.61 1n4c n LYS 47 Cb 0.93 0.00 0.27 0.00 -0.65 0.00 0.00 35.03 35.58 1n4c n LYS 47 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n4c h ALA 48 N 0.00 1.00 0.00 0.58 0.00 -1.80 -3.34 119.26 115.70 1n4c h ALA 48 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1n4c h ALA 48 Cb 0.97 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1n4c h ALA 48 CO 0.00 0.00 0.56 0.00 0.00 0.00 0.00 179.25 179.81 1n4c n ALA 49 N -2.04 5.36 -2.69 0.00 0.00 -1.26 -4.01 120.51 115.87 1n4c n ALA 49 Ca 0.04 -1.70 -0.07 0.00 0.00 0.00 0.00 53.44 51.70 1n4c n ALA 49 Cb 0.48 -2.50 0.06 0.00 0.00 0.00 0.00 19.45 17.49 1n4c n ALA 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n4c n ASP 50 N 2.90 0.64 -2.69 0.00 8.00 -1.25 -4.95 116.55 119.19 1n4c n ASP 50 Ca 0.39 -2.55 -0.06 0.00 0.71 0.00 0.00 54.79 53.28 1n4c n ASP 50 Cb 0.59 -0.15 0.09 0.00 -0.02 0.00 0.00 41.12 41.63 1n4c n ASP 50 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1n4c n PHE 51 N -0.30 -1.46 0.00 1.24 -0.00 -1.26 -4.98 117.46 110.71 1n4c n PHE 51 Ca 0.05 -1.22 0.00 0.00 -0.00 0.00 0.00 57.45 56.28 1n4c n PHE 51 Cb 0.83 1.33 0.00 0.00 -0.00 0.00 0.00 39.48 41.64 1n4c n PHE 51 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1n4c n GLU 52 N 0.82 0.00 -3.15 -4.13 4.07 -1.26 -5.03 120.64 111.96 1n4c n GLU 52 Ca 0.01 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.89 1n4c n GLU 52 Cb 0.72 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.04 1n4c n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1n4c n ASP 53 N -0.16 -0.49 -4.78 4.31 8.00 -1.26 -5.13 116.55 117.04 1n4c n ASP 53 Ca 0.00 -2.73 -0.33 0.00 0.71 0.00 0.00 54.79 52.44 1n4c n ASP 53 Cb 0.00 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 40.93 1n4c n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1n4c s LEU 54 N -0.82 3.47 0.00 0.64 2.96 -1.26 -4.85 118.68 118.81 1n4c s LEU 54 Ca 0.34 1.95 -0.02 0.00 -0.22 0.00 0.00 54.13 56.19 1n4c s LEU 54 Cb 0.15 -4.55 -0.07 0.00 0.50 0.00 0.00 46.19 42.22 1n4c s LEU 54 CO -0.14 -1.42 1.92 -0.11 -1.32 0.00 0.00 176.35 175.27 1n4c n LEU 55 N -2.16 3.77 -0.00 -0.68 7.94 -1.26 -4.27 117.00 120.33 1n4c n LEU 55 Ca 0.10 -1.98 -0.00 0.00 -1.11 0.00 0.00 56.01 53.02 1n4c n LEU 55 Cb 0.52 -0.88 -0.00 0.00 0.53 0.00 0.00 43.42 43.59 1n4c n LEU 55 CO 0.47 0.85 -0.00 0.77 -1.11 0.00 0.00 177.39 178.36 1n4c h SER 56 N 2.64 0.00 -0.54 1.96 4.64 -2.03 -3.38 113.55 116.84 1n4c h SER 56 Ca 0.05 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.47 1n4c h SER 56 Cb 0.85 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.86 1n4c h SER 56 CO 0.12 0.03 0.10 1.23 -0.87 0.00 0.00 176.83 177.44 1n4c h GLY 57 N -0.05 0.66 -7.13 -0.77 0.00 -1.94 -3.32 103.07 90.52 1n4c h GLY 57 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1n4c h GLY 57 CO 0.00 -0.09 0.09 -1.06 0.00 0.00 0.00 176.54 175.48 1n4c n GLN 58 N -5.13 0.18 0.00 4.80 3.00 -1.26 -2.89 117.38 116.08 1n4c n GLN 58 Ca 0.07 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.64 1n4c n GLN 58 Cb 0.27 -3.69 0.00 0.00 0.00 0.00 0.00 30.24 26.82 1n4c n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n4c n GLY 59 N 6.17 -0.52 2.90 1.08 0.00 -1.25 -4.96 105.19 108.62 1n4c n GLY 59 Ca 0.40 0.32 -0.42 0.00 0.00 0.00 0.00 46.02 46.32 1n4c n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1n4c n PHE 60 N 0.00 3.58 -3.27 1.61 3.72 -1.14 -4.80 117.46 117.15 1n4c n PHE 60 Ca 0.00 -2.93 -0.03 0.00 -0.05 0.00 0.00 57.45 54.44 1n4c n PHE 60 Cb 0.00 -2.38 0.01 0.00 -0.94 0.00 0.00 39.48 36.17 1n4c n PHE 60 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1n4c n ASN 61 N 5.73 -0.73 -4.58 4.37 6.94 -1.26 -4.98 115.26 120.75 1n4c n ASN 61 Ca 0.48 -1.52 -0.34 0.00 -0.02 0.00 0.00 54.58 53.18 1n4c n ASN 61 Cb 0.39 1.22 -0.04 0.00 -2.36 0.00 0.00 39.78 39.00 1n4c n ASN 61 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1n4c s ALA 62 N -1.37 2.37 -0.25 -2.53 0.00 -1.26 -4.91 121.76 113.81 1n4c s ALA 62 Ca 0.05 -2.42 -0.38 0.00 0.00 0.00 0.00 51.96 49.21 1n4c s ALA 62 Cb -0.02 -4.66 -0.14 0.00 0.00 0.00 0.00 23.12 18.31 1n4c s ALA 62 CO 0.04 -4.48 1.89 -2.39 0.00 0.00 0.00 175.76 170.82 1n4c n HIS 63 N 12.07 2.02 -2.11 0.00 1.44 -1.26 -4.85 115.22 122.53 1n4c n HIS 63 Ca 0.46 0.33 -0.42 0.00 -2.01 0.00 0.00 57.72 56.08 1n4c n HIS 63 Cb 0.46 -2.53 -0.03 0.00 0.12 0.00 0.00 29.99 28.02 1n4c n HIS 63 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1n4c s LYS 64 N 4.36 4.25 0.01 -1.40 1.02 -1.26 -4.96 119.74 121.75 1n4c s LYS 64 Ca 1.00 2.11 -0.30 0.00 0.02 0.00 0.00 55.97 58.80 1n4c s LYS 64 Cb -0.93 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 32.77 1n4c s LYS 64 CO 0.58 -0.64 0.97 0.34 -0.92 0.00 0.00 175.35 175.69 1n4c s ASP 65 N 2.09 7.37 -0.50 2.83 -1.08 -1.26 -4.97 116.67 121.14 1n4c s ASP 65 Ca 0.68 1.66 0.07 0.00 -0.52 0.00 0.00 52.55 54.43 1n4c s ASP 65 Cb -0.35 -2.57 0.20 0.00 -1.46 0.00 0.00 42.92 38.74 1n4c s ASP 65 CO 0.29 -0.24 0.71 2.29 0.52 0.00 0.00 175.17 178.73 1n4c n LYS 66 N 3.83 0.54 -2.90 4.34 2.85 -1.26 -5.03 118.16 120.52 1n4c n LYS 66 Ca 0.06 -2.13 -0.13 0.00 -1.05 0.00 0.00 58.31 55.06 1n4c n LYS 66 Cb 0.51 -1.49 0.03 0.00 -0.65 0.00 0.00 35.03 33.44 1n4c n LYS 66 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1n4c n LYS 67 N 2.75 0.93 -1.90 -1.58 5.02 -1.26 -5.14 118.16 116.97 1n4c n LYS 67 Ca 0.18 -2.41 -0.30 0.00 -2.02 0.00 0.00 58.31 53.77 1n4c n LYS 67 Cb 0.56 -1.31 0.19 0.00 -0.02 0.00 0.00 35.03 34.45 1n4c n LYS 67 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1n4c s GLY 68 N -1.64 1.78 0.00 0.72 0.00 -1.26 -5.08 107.32 101.84 1n4c s GLY 68 Ca 0.30 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1n4c s GLY 68 CO -0.10 -0.43 0.00 -1.55 0.00 0.00 0.00 173.10 171.02 1n4c n PRO 69 N -3.82 0.84 -2.77 2.90 -0.04 -1.26 -5.01 135.00 125.83 1n4c n PRO 69 Ca 0.15 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 1n4c n PRO 69 Cb 0.59 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.04 1n4c n PRO 69 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1n4c n ARG 70 N -0.13 2.63 -3.81 0.54 0.63 -1.26 -5.00 116.66 110.26 1n4c n ARG 70 Ca 0.00 -4.26 -0.37 0.00 -0.92 0.00 0.00 57.85 52.30 1n4c n ARG 70 Cb 0.00 -2.01 -0.06 0.00 0.45 0.00 0.00 32.46 30.84 1n4c n ARG 70 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1n4c s THR 71 N -4.32 5.44 -1.09 5.15 -4.23 -1.26 -4.93 115.64 110.40 1n4c s THR 71 Ca 0.44 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1n4c s THR 71 Cb 0.36 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.75 1n4c s THR 71 CO -0.12 0.59 0.59 0.00 -0.54 0.00 0.00 174.62 175.14 1n4c n ILE 72 N 2.18 0.67 0.13 2.99 3.06 -1.26 -0.32 119.36 126.82 1n4c n ILE 72 Ca -0.19 0.24 0.09 0.00 -2.50 0.00 0.00 62.75 60.39 1n4c n ILE 72 Cb 0.54 -1.24 0.04 0.00 0.54 0.00 0.00 39.64 39.53 1n4c n ILE 72 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1n4c h ALA 73 N 1.42 0.69 0.19 1.51 0.00 -2.00 -3.35 119.26 117.72 1n4c h ALA 73 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.42 1n4c h ALA 73 Cb 0.14 0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.97 1n4c h ALA 73 CO 0.00 0.20 -1.45 1.49 0.00 0.00 0.00 179.25 179.49 1n4c h GLU 74 N 0.00 0.40 0.05 0.00 4.81 -1.06 -3.25 114.58 115.53 1n4c h GLU 74 Ca -0.02 -0.68 0.03 0.00 -0.13 0.00 0.00 59.36 58.55 1n4c h GLU 74 Cb 1.13 0.25 -0.05 0.00 0.63 0.00 0.00 28.75 30.71 1n4c h GLU 74 CO 0.01 1.31 -0.37 1.98 -0.73 0.00 0.00 179.01 181.22 1n4c h MET 75 N 0.11 -0.54 -0.04 1.92 4.05 -1.69 0.12 114.93 118.86 1n4c h MET 75 Ca -0.23 0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.24 1n4c h MET 75 Cb 2.08 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 33.00 1n4c h MET 75 CO 0.23 -0.36 0.07 0.00 0.23 0.00 0.00 176.91 177.08 1n4c h ARG 76 N -0.56 0.00 0.00 0.39 3.08 -1.71 -1.11 114.38 114.47 1n4c h ARG 76 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1n4c h ARG 76 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1n4c h ARG 76 CO -0.26 0.00 0.21 -0.22 -1.07 0.00 0.00 179.97 178.63 1n4c h LYS 77 N 0.00 0.00 0.00 0.04 3.64 -0.78 -1.89 116.57 117.59 1n4c h LYS 77 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1n4c h LYS 77 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1n4c h LYS 77 CO -0.00 0.00 -0.03 1.49 -2.27 0.00 0.00 179.45 178.64 1n4c h GLU 78 N 0.00 0.00 -0.07 1.90 4.57 -1.27 -3.18 114.58 116.54 1n4c h GLU 78 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1n4c h GLU 78 Cb 0.43 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.96 1n4c h GLU 78 CO 0.00 0.00 -0.40 1.49 -1.18 0.00 0.00 179.01 178.92 1n4c h GLU 79 N -0.83 -0.49 -0.90 1.92 4.81 -1.62 0.39 114.58 117.85 1n4c h GLU 79 Ca 0.00 0.03 0.26 0.00 -0.13 0.00 0.00 59.36 59.52 1n4c h GLU 79 Cb 0.03 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1n4c h GLU 79 CO 0.00 -0.33 0.82 0.52 -0.73 0.00 0.00 179.01 179.29 1n4c h MET 80 N -0.51 0.00 -0.11 1.92 2.86 -1.53 2.19 114.93 119.74 1n4c h MET 80 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1n4c h MET 80 Cb 0.62 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1n4c h MET 80 CO -0.35 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.62 1n4c n ALA 81 N -2.49 2.53 1.05 6.32 0.00 0.13 -3.85 120.51 124.20 1n4c n ALA 81 Ca 0.19 -0.55 0.14 0.00 0.00 0.00 0.00 53.44 53.22 1n4c n ALA 81 Cb 1.13 -1.07 0.55 0.00 0.00 0.00 0.00 19.45 20.05 1n4c n ALA 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1n4c n LYS 82 N 0.48 0.06 -3.00 0.00 3.00 0.74 -4.06 118.16 115.38 1n4c n LYS 82 Ca 0.17 -0.01 -0.16 0.00 -0.00 0.00 0.00 58.31 58.31 1n4c n LYS 82 Cb 0.40 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.91 1n4c n LYS 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1n4c n GLU 83 N -1.46 1.27 -0.43 1.64 0.00 -1.25 -4.97 120.64 115.44 1n4c n GLU 83 Ca 0.08 -3.49 -0.09 0.00 0.00 0.00 0.00 57.16 53.66 1n4c n GLU 83 Cb 0.33 -1.63 -0.05 0.00 0.00 0.00 0.00 31.44 30.09 1n4c n GLU 83 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1n4c n MET 84 N 0.12 1.02 -1.64 3.44 1.56 -1.26 -4.82 117.12 115.55 1n4c n MET 84 Ca 0.21 -0.67 -0.44 0.00 -0.27 0.00 0.00 57.70 56.53 1n4c n MET 84 Cb 0.69 -1.92 -0.02 0.00 2.15 0.00 0.00 33.22 34.11 1n4c n MET 84 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1n4c n ASP 85 N 3.43 2.02 0.15 6.12 -0.08 -1.26 -4.47 116.55 122.45 1n4c n ASP 85 Ca 0.22 1.18 0.09 0.00 -1.51 0.00 0.00 54.79 54.77 1n4c n ASP 85 Cb 0.25 -1.36 0.14 0.00 2.34 0.00 0.00 41.12 42.49 1n4c n ASP 85 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1n4c n PRO 86 N 1.06 0.02 -0.01 -0.67 -0.02 -1.26 0.14 135.00 134.27 1n4c n PRO 86 Ca 0.09 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.42 1n4c n PRO 86 Cb 0.32 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.11 1n4c n PRO 86 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1n4c h GLU 87 N 0.00 0.08 0.00 -0.52 4.57 -1.96 -3.34 114.58 113.41 1n4c h GLU 87 Ca 0.16 -0.13 -0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1n4c h GLU 87 Cb 2.30 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.92 1n4c h GLU 87 CO -0.00 0.72 -0.65 0.87 -1.18 0.00 0.00 179.01 178.77 1n4c h LYS 88 N 0.02 0.00 -0.64 1.92 1.57 1.00 -3.20 116.57 117.24 1n4c h LYS 88 Ca -0.30 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1n4c h LYS 88 Cb 2.01 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.24 1n4c h LYS 88 CO 0.09 0.65 0.26 1.25 -0.57 0.00 0.00 179.45 181.13 1n4c h LEU 89 N 0.00 0.27 -0.97 2.94 6.46 -1.43 0.24 115.31 122.81 1n4c h LEU 89 Ca -0.01 0.08 0.21 0.00 -0.12 0.00 0.00 57.88 58.05 1n4c h LEU 89 Cb 1.34 0.05 -0.12 0.00 -0.73 0.00 0.00 40.66 41.21 1n4c h LEU 89 CO 0.08 0.15 0.55 0.50 -0.62 0.00 0.00 178.44 179.10 1n4c h LYS 90 N 0.44 0.59 -0.02 1.25 3.64 -1.71 -0.28 116.57 120.48 1n4c h LYS 90 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1n4c h LYS 90 Cb 0.41 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1n4c h LYS 90 CO -0.31 0.39 0.01 0.82 -2.27 0.00 0.00 179.45 178.08 1n4c h ILE 91 N 0.61 1.00 -0.92 2.00 2.04 -1.11 -1.41 117.51 119.71 1n4c h ILE 91 Ca 0.59 -0.01 0.27 0.00 1.00 0.00 0.00 64.86 66.71 1n4c h ILE 91 Cb 1.04 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 1n4c h ILE 91 CO -0.45 0.00 0.70 -0.07 0.00 0.00 0.00 178.15 178.34 1n4c h LEU 92 N 0.02 0.00 0.01 1.44 3.38 -0.90 0.53 115.31 119.79 1n4c h LEU 92 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1n4c h LEU 92 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1n4c h LEU 92 CO -0.01 0.00 -1.14 -0.33 0.09 0.00 0.00 178.44 177.05 1n4c h GLU 93 N 0.00 0.03 -0.18 1.13 4.39 -1.08 -2.95 114.58 115.92 1n4c h GLU 93 Ca 0.44 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.95 1n4c h GLU 93 Cb 1.83 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1n4c h GLU 93 CO -0.00 0.95 -0.41 2.35 -1.16 0.00 0.00 179.01 180.74 1n4c h TRP 94 N 0.01 0.76 -0.16 4.33 7.01 0.72 -2.98 115.95 125.65 1n4c h TRP 94 Ca -0.07 -0.29 -0.11 0.00 2.11 0.00 0.00 58.89 60.54 1n4c h TRP 94 Cb 1.83 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 28.75 1n4c h TRP 94 CO 0.01 1.04 -0.33 -0.84 -2.79 0.00 0.00 178.44 175.53 1n4c h ILE 95 N 0.27 1.35 0.00 2.65 3.07 -1.32 -2.92 117.51 120.61 1n4c h ILE 95 Ca 0.00 -1.58 0.00 0.00 1.55 0.00 0.00 64.86 64.83 1n4c h ILE 95 Cb 1.02 1.96 0.00 0.00 -0.27 0.00 0.00 36.82 39.53 1n4c h ILE 95 CO 0.09 0.48 0.00 -1.84 -1.05 0.00 0.00 178.15 175.83 1n4c n GLU 96 N -4.34 0.07 -0.02 0.16 -0.00 -1.11 -1.71 120.64 113.69 1n4c n GLU 96 Ca -0.06 0.26 -0.16 0.00 -0.00 0.00 0.00 57.16 57.20 1n4c n GLU 96 Cb 0.49 -1.50 -0.09 0.00 -0.00 0.00 0.00 31.44 30.34 1n4c n GLU 96 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1n4c h GLY 97 N 1.60 0.52 -5.00 -1.84 0.00 -1.34 -3.43 103.07 93.57 1n4c h GLY 97 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 47.33 46.44 1n4c h GLY 97 CO 0.00 0.68 -0.18 0.58 0.00 0.00 0.00 176.54 177.61 1n4c n LYS 98 N -4.26 0.39 0.00 4.80 2.85 -0.98 -4.99 118.16 115.97 1n4c n LYS 98 Ca -0.09 -1.09 0.00 0.00 -1.05 0.00 0.00 58.31 56.09 1n4c n LYS 98 Cb 0.60 -0.63 0.00 0.00 -0.65 0.00 0.00 35.03 34.35 1n4c n LYS 98 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1n4c n GLU 99 N 1.30 0.63 -1.25 -1.58 0.28 -0.69 -2.58 120.64 116.74 1n4c n GLU 99 Ca 0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.06 1n4c n GLU 99 Cb 0.69 -1.20 0.01 0.00 1.43 0.00 0.00 31.44 32.38 1n4c n GLU 99 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1n4c n ARG 100 N 0.63 0.00 -3.14 3.44 0.00 -1.26 -4.71 116.66 111.62 1n4c n ARG 100 Ca 0.00 -1.74 -0.20 0.00 -0.00 0.00 0.00 57.85 55.91 1n4c n ARG 100 Cb 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 32.46 32.60 1n4c n ARG 100 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1n4c n ASN 101 N 0.37 0.09 -0.38 6.15 5.15 -1.07 -4.97 115.26 120.61 1n4c n ASN 101 Ca 0.04 -2.90 0.31 0.00 -0.60 0.00 0.00 54.58 51.44 1n4c n ASN 101 Cb 1.04 -0.34 0.58 0.00 -0.53 0.00 0.00 39.78 40.52 1n4c n ASN 101 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1n4c h ILE 102 N 1.74 0.16 -0.79 -1.44 -0.00 -1.86 0.31 117.51 115.63 1n4c h ILE 102 Ca 0.06 -0.05 0.14 0.00 -0.00 0.00 0.00 64.86 65.01 1n4c h ILE 102 Cb 0.93 0.00 -0.09 0.00 -0.00 0.00 0.00 36.82 37.66 1n4c h ILE 102 CO 0.45 0.03 0.36 0.08 -0.00 0.00 0.00 178.15 179.07 1n4c h ARG 103 N 0.14 0.51 0.20 2.19 0.11 -1.96 -2.38 114.38 113.19 1n4c h ARG 103 Ca 0.79 -0.03 -0.33 0.00 0.10 0.00 0.00 59.98 60.52 1n4c h ARG 103 Cb 2.20 -0.12 0.02 0.00 1.11 0.00 0.00 29.97 33.19 1n4c h ARG 103 CO -0.55 0.34 -1.53 0.00 0.10 0.00 0.00 179.97 178.33 1n4c h ALA 104 N 1.55 0.02 -0.46 0.08 0.00 -0.80 -3.11 119.26 116.54 1n4c h ALA 104 Ca 0.43 -0.98 0.08 0.00 0.00 0.00 0.00 54.91 54.45 1n4c h ALA 104 Cb 0.63 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1n4c h ALA 104 CO -0.38 0.89 0.05 -0.07 0.00 0.00 0.00 179.25 179.74 1n4c h LEU 105 N 0.12 -0.10 -0.67 0.00 3.38 -0.94 1.40 115.31 118.51 1n4c h LEU 105 Ca -0.26 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1n4c h LEU 105 Cb 2.10 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 43.01 1n4c h LEU 105 CO 0.22 -0.02 -0.04 0.17 0.09 0.00 0.00 178.44 178.87 1n4c h LEU 106 N 0.17 0.00 -0.56 1.67 8.10 -1.60 0.55 115.31 123.64 1n4c h LEU 106 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.22 1n4c h LEU 106 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1n4c h LEU 106 CO -0.34 0.04 -0.53 -1.20 -4.11 0.00 0.00 178.44 172.30 1n4c n SER 107 N -3.12 1.41 0.00 0.17 7.64 -0.02 -4.15 113.62 115.55 1n4c n SER 107 Ca 0.02 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.78 1n4c n SER 107 Cb 0.44 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.12 1n4c n SER 107 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1n4c n THR 108 N -0.64 0.00 0.30 0.44 -2.24 0.46 -4.51 114.28 108.10 1n4c n THR 108 Ca 0.08 -0.44 0.18 0.00 -2.27 0.00 0.00 64.05 61.61 1n4c n THR 108 Cb 0.40 1.11 0.96 0.00 -2.10 0.00 0.00 70.33 70.70 1n4c n THR 108 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1n4c h MET 109 N 0.00 0.00 0.00 -0.78 -1.53 -1.05 -2.26 114.93 109.31 1n4c h MET 109 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1n4c h MET 109 Cb 0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1n4c h MET 109 CO 0.00 0.03 -0.04 1.12 0.14 0.00 0.00 176.91 178.16 1n4c h HIS 110 N 0.00 0.00 0.00 1.39 2.07 -1.85 -0.58 115.15 116.18 1n4c h HIS 110 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1n4c h HIS 110 Cb 0.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.16 1n4c h HIS 110 CO 0.00 0.04 0.00 0.25 -3.07 0.00 0.00 177.93 175.15 1n4c n THR 111 N -3.94 0.00 -2.31 6.12 -2.24 -0.85 -3.34 114.28 107.72 1n4c n THR 111 Ca -0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.77 1n4c n THR 111 Cb 0.13 -0.30 0.01 0.00 -2.10 0.00 0.00 70.33 68.07 1n4c n THR 111 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1n4c n VAL 112 N -0.71 0.00 -2.31 2.28 0.24 -0.23 -5.00 118.33 112.60 1n4c n VAL 112 Ca 0.08 -0.62 -0.25 0.00 -2.04 0.00 0.00 64.34 61.51 1n4c n VAL 112 Cb 0.04 0.79 0.08 0.00 -1.47 0.00 0.00 33.84 33.28 1n4c n VAL 112 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1n4c s LEU 113 N 0.00 2.90 0.29 1.34 1.43 -1.19 -4.96 118.68 118.49 1n4c s LEU 113 Ca 0.21 0.21 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 1n4c s LEU 113 Cb 0.24 -2.77 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 1n4c s LEU 113 CO -0.11 -1.71 0.81 -1.66 0.23 0.00 0.00 176.35 173.92 1n4c s TRP 114 N -3.23 3.56 -0.17 0.29 -2.14 -1.26 -4.96 118.94 111.04 1n4c s TRP 114 Ca 0.62 1.48 -0.29 0.00 2.66 0.00 0.00 56.10 60.58 1n4c s TRP 114 Cb -0.09 -2.71 -0.05 0.00 -3.10 0.00 0.00 33.47 27.52 1n4c s TRP 114 CO 0.45 0.20 2.06 0.00 -2.66 0.00 0.00 176.95 176.99 1n4c s ALA 115 N -1.73 3.01 0.00 2.67 0.00 -1.26 -3.10 121.76 121.35 1n4c s ALA 115 Ca 0.50 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1n4c s ALA 115 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1n4c s ALA 115 CO 0.20 -2.39 0.00 0.41 0.00 0.00 0.00 175.76 173.97 1n4c n GLY 116 N 5.32 3.17 3.60 0.00 0.00 -1.26 -5.09 105.19 110.93 1n4c n GLY 116 Ca 0.26 -0.44 -0.45 0.00 0.00 0.00 0.00 46.02 45.38 1n4c n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n4c n GLU 117 N 0.00 2.02 -0.04 1.61 4.07 -1.18 -4.78 120.64 122.34 1n4c n GLU 117 Ca 0.00 0.65 0.03 0.00 -0.06 0.00 0.00 57.16 57.78 1n4c n GLU 117 Cb 0.00 -2.93 0.05 0.00 -0.06 0.00 0.00 31.44 28.50 1n4c n GLU 117 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1n4c n THR 118 N 6.66 1.19 -0.08 6.31 -2.24 -1.26 -4.66 114.28 120.20 1n4c n THR 118 Ca 0.28 -1.31 -0.06 0.00 -2.27 0.00 0.00 64.05 60.70 1n4c n THR 118 Cb 0.37 0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.73 1n4c n THR 118 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1n4c n LYS 119 N -0.76 0.83 -1.73 -0.78 4.76 -1.26 -4.94 118.16 114.28 1n4c n LYS 119 Ca 0.05 -0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 1n4c n LYS 119 Cb 0.41 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.08 1n4c n LYS 119 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1n4c s TRP 120 N -2.64 2.61 -0.57 2.13 -0.11 -1.26 -4.95 118.94 114.14 1n4c s TRP 120 Ca -0.09 0.21 -0.06 0.00 1.22 0.00 0.00 56.10 57.38 1n4c s TRP 120 Cb 0.07 -4.15 0.15 0.00 -1.50 0.00 0.00 33.47 28.04 1n4c s TRP 120 CO 0.80 -4.51 0.41 0.21 -4.62 0.00 0.00 176.95 169.24 1n4c s LYS 121 N 1.80 2.57 0.03 5.86 2.20 -1.26 -5.06 119.74 125.88 1n4c s LYS 121 Ca 0.77 -2.20 -0.34 0.00 -0.36 0.00 0.00 55.97 53.84 1n4c s LYS 121 Cb -0.48 -3.84 -0.18 0.00 -1.51 0.00 0.00 37.83 31.82 1n4c s LYS 121 CO 0.34 -1.18 0.89 -2.30 -0.36 0.00 0.00 175.35 172.74 1n4c n PRO 122 N 4.11 0.00 -3.08 4.03 -0.02 -1.26 -4.87 135.00 133.91 1n4c n PRO 122 Ca 0.03 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.11 1n4c n PRO 122 Cb 0.40 -1.28 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 1n4c n PRO 122 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1n4c s VAL 123 N -0.15 5.02 0.07 -1.45 1.01 -1.26 -5.00 120.40 118.64 1n4c s VAL 123 Ca 0.78 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 1n4c s VAL 123 Cb -1.10 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 31.19 1n4c s VAL 123 CO 0.52 0.17 1.92 -0.83 0.00 0.00 0.00 175.10 176.87 1n4c s GLY 124 N 1.00 1.41 0.66 4.51 0.00 -1.26 -4.77 107.32 108.87 1n4c s GLY 124 Ca 0.33 1.36 0.06 0.00 0.00 0.00 0.00 44.72 46.47 1n4c s GLY 124 CO 0.13 3.36 1.15 -0.33 0.00 0.00 0.00 173.10 177.41 1n4c h MET 125 N 9.91 0.00 0.00 2.90 2.86 -1.94 2.59 114.93 131.25 1n4c h MET 125 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1n4c h MET 125 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1n4c h MET 125 CO 0.94 0.00 -0.25 0.00 1.06 0.00 0.00 176.91 178.67 1n4c n ALA 126 N -1.60 2.65 -0.63 6.32 0.00 -1.26 -3.73 120.51 122.26 1n4c n ALA 126 Ca 0.01 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 1n4c n ALA 126 Cb 0.94 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 19.18 1n4c n ALA 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1n4c n ASP 127 N -1.94 3.89 -1.86 0.00 9.92 0.87 -4.12 116.55 123.31 1n4c n ASP 127 Ca 0.05 -3.16 0.02 0.00 -0.53 0.00 0.00 54.79 51.17 1n4c n ASP 127 Cb 0.40 -0.77 0.03 0.00 -0.64 0.00 0.00 41.12 40.14 1n4c n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1n4c n LEU 128 N -0.62 1.05 -0.23 0.64 -0.00 -1.24 -4.78 117.00 111.81 1n4c n LEU 128 Ca 0.43 -2.29 0.13 0.00 -0.00 0.00 0.00 56.01 54.28 1n4c n LEU 128 Cb 1.26 0.13 0.66 0.00 -0.00 0.00 0.00 43.42 45.48 1n4c n LEU 128 CO 0.45 0.70 0.94 1.33 -0.00 0.00 0.00 177.39 180.80 1n4c n VAL 129 N 0.15 0.03 -4.09 1.47 0.24 -1.26 -4.82 118.33 110.05 1n4c n VAL 129 Ca 0.05 -0.13 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 1n4c n VAL 129 Cb 1.03 -0.03 -0.11 0.00 -1.47 0.00 0.00 33.84 33.26 1n4c n VAL 129 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1n4c s THR 130 N -1.97 0.66 0.27 3.34 -4.23 -1.26 -5.05 115.64 107.41 1n4c s THR 130 Ca 0.39 -1.18 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1n4c s THR 130 Cb 0.19 -0.77 0.23 0.00 1.34 0.00 0.00 72.50 73.49 1n4c s THR 130 CO 0.31 -0.38 1.91 1.55 -0.54 0.00 0.00 174.62 177.47 1n4c h PRO 131 N 4.35 1.13 -0.47 3.99 0.13 -1.97 -1.67 132.00 137.49 1n4c h PRO 131 Ca -0.37 -0.11 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1n4c h PRO 131 Cb 1.20 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1n4c h PRO 131 CO 0.42 0.80 0.32 0.93 -0.23 0.00 0.00 178.00 180.24 1n4c h GLU 132 N 1.14 0.30 -0.07 0.86 3.07 -1.97 1.07 114.58 118.99 1n4c h GLU 132 Ca 0.30 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 58.93 1n4c h GLU 132 Cb -0.02 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 1n4c h GLU 132 CO -0.05 0.20 -0.80 1.96 -1.40 0.00 0.00 179.01 178.91 1n4c h GLN 133 N 0.31 0.50 0.07 2.33 1.08 -1.64 -0.43 115.11 117.33 1n4c h GLN 133 Ca 0.21 -0.44 -0.13 0.00 -1.45 0.00 0.00 58.65 56.84 1n4c h GLN 133 Cb 0.43 0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1n4c h GLN 133 CO -0.05 1.08 -0.55 0.28 -0.95 0.00 0.00 178.83 178.64 1n4c h VAL 134 N 0.32 1.56 -0.15 -0.54 2.07 -0.56 -2.91 116.25 116.04 1n4c h VAL 134 Ca -0.05 -2.35 -0.13 0.00 0.82 0.00 0.00 66.70 64.99 1n4c h VAL 134 Cb 1.41 3.09 -0.01 0.00 -1.52 0.00 0.00 31.29 34.25 1n4c h VAL 134 CO 0.14 0.65 -0.48 0.50 0.02 0.00 0.00 177.57 178.41 1n4c h LYS 135 N -0.47 0.40 -0.46 1.57 3.64 1.00 0.86 116.57 123.11 1n4c h LYS 135 Ca -0.09 -0.22 -0.13 0.00 -1.27 0.00 0.00 60.65 58.94 1n4c h LYS 135 Cb 1.38 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1n4c h LYS 135 CO 0.10 0.79 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.63 1n4c h LYS 136 N 0.32 0.96 0.09 1.90 3.64 -1.17 -3.15 116.57 119.15 1n4c h LYS 136 Ca 0.02 -0.41 -0.27 0.00 -1.27 0.00 0.00 60.65 58.72 1n4c h LYS 136 Cb 0.96 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1n4c h LYS 136 CO 0.08 1.08 -1.27 0.28 -2.27 0.00 0.00 179.45 177.35 1n4c h VAL 137 N 0.83 1.45 -0.86 2.00 2.07 -1.41 -3.23 116.25 117.09 1n4c h VAL 137 Ca 0.11 -3.08 0.25 0.00 0.82 0.00 0.00 66.70 64.79 1n4c h VAL 137 Cb 0.79 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 1n4c h VAL 137 CO 0.07 0.88 0.65 0.22 0.02 0.00 0.00 177.57 179.40 1n4c h TYR 138 N 0.05 0.00 0.50 1.57 3.20 -0.78 0.18 116.97 121.69 1n4c h TYR 138 Ca -0.13 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 1n4c h TYR 138 Cb 1.93 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.21 1n4c h TYR 138 CO 0.04 0.00 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.24 1n4c h ARG 139 N 0.00 -0.64 -0.51 1.82 2.43 -1.57 -2.65 114.38 113.26 1n4c h ARG 139 Ca 0.41 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.63 1n4c h ARG 139 Cb 1.70 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.37 1n4c h ARG 139 CO -0.00 -0.37 0.33 0.87 -1.51 0.00 0.00 179.97 179.29 1n4c h LYS 140 N -1.10 0.66 -0.96 0.20 1.57 -1.33 -1.38 116.57 114.23 1n4c h LYS 140 Ca -0.07 -0.04 0.21 0.00 -1.87 0.00 0.00 60.65 58.89 1n4c h LYS 140 Cb 0.57 -0.15 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 1n4c h LYS 140 CO 0.11 0.44 0.62 0.00 -0.57 0.00 0.00 179.45 180.05 1n4c h ALA 141 N 1.19 2.09 0.00 3.86 0.00 -0.75 0.74 119.26 126.38 1n4c h ALA 141 Ca 0.19 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 1n4c h ALA 141 Cb -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1n4c h ALA 141 CO -0.05 -0.42 -0.60 0.28 0.00 0.00 0.00 179.25 178.46 1n4c h VAL 142 N 0.49 1.42 0.00 0.00 2.07 -0.89 -2.76 116.25 116.59 1n4c h VAL 142 Ca 0.52 -2.07 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 1n4c h VAL 142 Cb 1.18 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1n4c h VAL 142 CO -0.25 0.59 -0.36 -0.07 0.02 0.00 0.00 177.57 177.50 1n4c h LEU 143 N 0.00 0.00 -1.58 2.57 3.38 0.99 -2.28 115.31 118.38 1n4c h LEU 143 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1n4c h LEU 143 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1n4c h LEU 143 CO 0.08 0.36 -0.17 0.58 0.09 0.00 0.00 178.44 179.38 1n4c h VAL 144 N 0.00 1.14 -0.24 1.22 2.07 -1.03 -2.80 116.25 116.61 1n4c h VAL 144 Ca -0.00 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1n4c h VAL 144 Cb 0.66 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1n4c h VAL 144 CO 0.05 0.19 -0.11 1.33 0.02 0.00 0.00 177.57 179.05 1n4c n VAL 145 N -4.31 2.37 -1.92 2.57 0.24 -0.93 -4.95 118.33 111.40 1n4c n VAL 145 Ca -0.02 -2.57 -0.42 0.00 -2.04 0.00 0.00 64.34 59.29 1n4c n VAL 145 Cb 0.25 -0.29 -0.03 0.00 -1.47 0.00 0.00 33.84 32.30 1n4c n VAL 145 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1n4c s HIS 146 N -3.11 2.88 0.19 6.34 5.04 -0.90 -4.84 115.29 120.88 1n4c s HIS 146 Ca 0.42 0.52 -0.10 0.00 -1.54 0.00 0.00 55.06 54.35 1n4c s HIS 146 Cb 0.37 -3.95 0.25 0.00 0.04 0.00 0.00 32.58 29.29 1n4c s HIS 146 CO 0.01 -3.60 1.18 -2.30 -2.34 0.00 0.00 174.74 167.69 1n4c n PRO 147 N 4.41 -0.13 -0.33 2.88 -0.02 -1.26 0.06 135.00 140.61 1n4c n PRO 147 Ca 0.15 1.18 0.25 0.00 -2.02 0.00 0.00 63.50 63.05 1n4c n PRO 147 Cb 0.39 -1.75 0.49 0.00 -0.02 0.00 0.00 33.50 32.61 1n4c n PRO 147 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1n4c h ASP 148 N 0.00 0.37 0.59 2.55 3.58 -1.98 1.69 116.42 123.21 1n4c h ASP 148 Ca 0.30 0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.97 1n4c h ASP 148 Cb 0.49 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1n4c h ASP 148 CO -0.77 -0.24 -0.13 0.29 -2.88 0.00 0.00 179.24 175.52 1n4c n LYS 149 N -5.15 0.35 -1.49 0.28 5.02 0.11 -3.59 118.16 113.69 1n4c n LYS 149 Ca 0.33 -0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.46 1n4c n LYS 149 Cb 1.05 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 34.66 1n4c n LYS 149 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4c n ALA 150 N -1.24 3.86 -2.56 7.82 0.00 0.56 -4.86 120.51 124.09 1n4c n ALA 150 Ca 0.11 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.84 1n4c n ALA 150 Cb 0.30 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 1n4c n ALA 150 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1n4c s THR 151 N -3.38 4.92 0.00 0.00 2.01 -0.11 -4.11 115.64 114.97 1n4c s THR 151 Ca 0.41 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1n4c s THR 151 Cb 0.38 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1n4c s THR 151 CO -0.04 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.18 1n4c n GLY 152 N 4.75 0.00 3.75 4.40 0.00 -1.26 -4.92 105.19 111.91 1n4c n GLY 152 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1n4c n GLY 152 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n4c s GLN 153 N -1.82 4.66 0.37 1.61 -1.52 -1.26 -4.91 119.66 116.80 1n4c s GLN 153 Ca 0.00 1.30 0.29 0.00 -1.95 0.00 0.00 55.36 55.00 1n4c s GLN 153 Cb 0.00 -3.32 1.23 0.00 -0.22 0.00 0.00 33.01 30.71 1n4c s GLN 153 CO 0.00 0.41 1.25 -2.30 -0.25 0.00 0.00 175.29 174.40 1n4c n PRO 154 N 2.10 -0.02 -0.90 2.91 -0.02 -1.26 0.28 135.00 138.09 1n4c n PRO 154 Ca -0.02 0.97 -0.14 0.00 -2.02 0.00 0.00 63.50 62.29 1n4c n PRO 154 Cb 0.49 -1.98 0.17 0.00 -0.02 0.00 0.00 33.50 32.16 1n4c n PRO 154 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1n4c n TYR 155 N -4.14 2.24 -0.15 6.00 0.18 -1.26 -4.53 117.16 115.49 1n4c n TYR 155 Ca 0.33 -1.37 -0.05 0.00 1.88 0.00 0.00 57.90 58.69 1n4c n TYR 155 Cb 1.33 -0.72 0.04 0.00 -0.38 0.00 0.00 39.34 39.60 1n4c n TYR 155 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1n4c h GLU 156 N 1.17 0.48 -0.71 -3.48 4.81 0.38 -2.49 114.58 114.74 1n4c h GLU 156 Ca 0.41 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.57 1n4c h GLU 156 Cb 2.31 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 31.55 1n4c h GLU 156 CO 0.77 0.32 0.29 1.96 -0.73 0.00 0.00 179.01 181.62 1n4c h GLN 157 N 0.49 1.05 -0.78 1.92 1.08 -1.81 -2.80 115.11 114.25 1n4c h GLN 157 Ca 0.20 -0.19 0.18 0.00 -1.45 0.00 0.00 58.65 57.40 1n4c h GLN 157 Cb 0.10 -0.17 -0.13 0.00 -0.05 0.00 0.00 27.48 27.22 1n4c h GLN 157 CO -0.13 0.86 0.08 1.88 -0.95 0.00 0.00 178.83 180.57 1n4c h TYR 158 N 1.00 0.08 0.06 2.96 -1.99 -1.78 -0.87 116.97 116.43 1n4c h TYR 158 Ca 0.24 0.05 0.03 0.00 2.00 0.00 0.00 58.73 61.04 1n4c h TYR 158 Cb 0.20 0.09 -0.05 0.00 2.00 0.00 0.00 36.73 38.97 1n4c h TYR 158 CO 0.01 -0.21 -0.40 0.00 -0.00 0.00 0.00 178.16 177.56 1n4c h ALA 159 N 1.71 -0.66 -0.46 3.88 0.00 -1.46 -0.58 119.26 121.69 1n4c h ALA 159 Ca 0.45 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.42 1n4c h ALA 159 Cb 0.81 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1n4c h ALA 159 CO -0.65 -0.94 0.32 0.87 0.00 0.00 0.00 179.25 178.86 1n4c h LYS 160 N -0.59 0.10 0.17 0.00 1.57 -1.25 1.34 116.57 117.91 1n4c h LYS 160 Ca 0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1n4c h LYS 160 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1n4c h LYS 160 CO -0.27 0.06 -0.08 0.52 -0.57 0.00 0.00 179.45 179.11 1n4c h MET 161 N 0.10 -0.22 0.00 3.15 2.86 -0.48 -3.14 114.93 117.20 1n4c h MET 161 Ca 0.22 0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.73 1n4c h MET 161 Cb 0.73 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1n4c h MET 161 CO -0.02 0.19 -0.66 -0.84 1.06 0.00 0.00 176.91 176.64 1n4c h ILE 162 N -0.88 1.16 -0.77 -1.22 3.07 -0.86 -2.96 117.51 115.04 1n4c h ILE 162 Ca -0.02 -2.55 -0.05 0.00 1.55 0.00 0.00 64.86 63.79 1n4c h ILE 162 Cb 0.51 2.52 -0.03 0.00 -0.27 0.00 0.00 36.82 39.55 1n4c h ILE 162 CO 0.04 0.64 0.30 0.15 -1.05 0.00 0.00 178.15 178.24 1n4c h PHE 163 N 0.00 1.18 0.08 0.16 3.04 0.17 -1.74 116.94 119.82 1n4c h PHE 163 Ca -0.01 -0.09 -0.12 0.00 3.98 0.00 0.00 57.97 61.73 1n4c h PHE 163 Cb 1.46 -0.35 0.01 0.00 2.56 0.00 0.00 35.95 39.64 1n4c h PHE 163 CO 0.00 0.90 -0.53 0.52 -2.02 0.00 0.00 178.31 177.17 1n4c h MET 164 N 1.12 0.22 -0.48 1.11 2.86 -1.61 -3.22 114.93 114.92 1n4c h MET 164 Ca 0.26 -0.34 0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1n4c h MET 164 Cb 0.22 0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.94 1n4c h MET 164 CO -0.02 1.14 0.12 0.93 1.06 0.00 0.00 176.91 180.14 1n4c h GLU 165 N -0.53 0.25 -1.00 1.72 3.07 -1.50 0.48 114.58 117.07 1n4c h GLU 165 Ca -0.09 -0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.86 1n4c h GLU 165 Cb 1.40 -0.06 -0.08 0.00 -0.84 0.00 0.00 28.75 29.17 1n4c h GLU 165 CO 0.10 0.17 0.64 -0.07 -1.40 0.00 0.00 179.01 178.44 1n4c h LEU 166 N 0.26 0.95 0.00 1.33 -0.00 -1.42 -0.88 115.31 115.55 1n4c h LEU 166 Ca 0.24 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1n4c h LEU 166 Cb 0.30 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1n4c h LEU 166 CO -0.30 0.53 -0.37 -1.13 -0.00 0.00 0.00 178.44 177.18 1n4c h ASN 167 N 1.03 0.00 0.36 -0.43 -0.73 -1.06 -3.21 115.58 111.54 1n4c h ASN 167 Ca 0.48 -0.05 -0.02 0.00 1.87 0.00 0.00 56.30 58.58 1n4c h ASN 167 Cb 0.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1n4c h ASN 167 CO -0.24 0.03 -0.17 0.44 -0.37 0.00 0.00 177.43 177.12 1n4c h ASP 168 N 0.00 -0.41 0.19 1.15 3.32 0.13 -3.12 116.42 117.69 1n4c h ASP 168 Ca 0.00 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1n4c h ASP 168 Cb 0.88 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1n4c h ASP 168 CO 0.00 0.05 -0.17 0.00 -1.72 0.00 0.00 179.24 177.40 1n4c h ALA 169 N -0.92 1.65 -0.97 3.45 0.00 -1.67 -2.21 119.26 118.59 1n4c h ALA 169 Ca -0.05 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.81 1n4c h ALA 169 Cb 0.46 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1n4c h ALA 169 CO 0.08 0.21 0.60 2.35 0.00 0.00 0.00 179.25 182.49 1n4c h TRP 170 N 0.00 1.10 -0.92 0.00 2.91 -1.57 1.04 115.95 118.53 1n4c h TRP 170 Ca -0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 1n4c h TRP 170 Cb 0.31 -0.35 -0.04 0.00 -0.51 0.00 0.00 29.16 28.56 1n4c h TRP 170 CO 0.00 0.49 0.58 1.03 -1.03 0.00 0.00 178.44 179.51 1n4c h SER 171 N 1.01 1.07 1.24 2.65 0.87 -1.33 -1.71 113.55 117.36 1n4c h SER 171 Ca 0.46 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.81 1n4c h SER 171 Cb 0.36 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1n4c h SER 171 CO -0.23 0.80 -0.75 -0.08 -0.53 0.00 0.00 176.83 176.04 1n4c h GLU 172 N 1.25 0.00 -0.58 2.24 4.81 -0.91 -3.20 114.58 118.20 1n4c h GLU 172 Ca 0.33 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.71 1n4c h GLU 172 Cb -0.10 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1n4c h GLU 172 CO -0.07 0.75 0.41 0.35 -0.73 0.00 0.00 179.01 179.71 1n4c h PHE 173 N 0.00 0.11 -0.30 0.92 3.57 0.20 2.00 116.94 123.44 1n4c h PHE 173 Ca -0.01 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1n4c h PHE 173 Cb 1.57 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1n4c h PHE 173 CO 0.00 0.04 -0.30 0.93 -2.23 0.00 0.00 178.31 176.76 1n4c h GLU 174 N 0.09 0.61 0.12 1.11 4.39 -1.52 2.37 114.58 121.76 1n4c h GLU 174 Ca 0.28 -0.26 -0.34 0.00 0.34 0.00 0.00 59.36 59.37 1n4c h GLU 174 Cb 0.96 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1n4c h GLU 174 CO -0.03 0.84 -1.81 -0.97 -1.16 0.00 0.00 179.01 175.89 1n4c h ASN 175 N 0.53 0.40 0.94 1.42 -0.73 -0.55 -3.23 115.58 114.36 1n4c h ASN 175 Ca 0.07 -0.89 -0.14 0.00 1.87 0.00 0.00 56.30 57.20 1n4c h ASN 175 Cb 0.78 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 1n4c h ASN 175 CO 0.06 1.78 -1.13 -0.61 -0.37 0.00 0.00 177.43 177.16 1n4c h GLN 176 N -0.09 0.00 0.06 6.67 -0.00 0.29 -3.37 115.11 118.68 1n4c h GLN 176 Ca -0.39 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 57.97 1n4c h GLN 176 Cb 1.93 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.39 1n4c h GLN 176 CO 0.07 0.35 -1.53 0.78 0.00 0.00 0.00 178.83 178.49 1n4c h GLY 177 N 3.65 0.16 -4.26 2.39 0.00 0.39 -3.36 103.07 102.05 1n4c h GLY 177 Ca -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1n4c h GLY 177 CO 0.05 0.35 0.13 -1.06 0.00 0.00 0.00 176.54 176.00 1n4c n GLN 178 N -3.32 0.49 -3.57 4.80 1.13 -1.15 -4.64 117.38 111.12 1n4c n GLN 178 Ca -0.15 -0.18 -0.16 0.00 -1.94 0.00 0.00 57.00 54.57 1n4c n GLN 178 Cb 1.03 -1.52 -0.06 0.00 0.11 0.00 0.00 30.24 29.80 1n4c n GLN 178 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1n4c s LYS 179 N 1.94 0.99 -0.53 -1.09 1.02 -1.26 -5.04 119.74 115.77 1n4c s LYS 179 Ca 0.12 0.03 -0.28 0.00 0.02 0.00 0.00 55.97 55.86 1n4c s LYS 179 Cb 0.06 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.83 1n4c s LYS 179 CO 0.00 -0.32 1.58 -1.25 -0.92 0.00 0.00 175.35 174.43 1n4c s PRO 180 N -1.62 3.17 -0.86 -1.68 0.04 -1.26 -4.93 135.00 127.86 1n4c s PRO 180 Ca -0.10 0.66 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1n4c s PRO 180 Cb -0.01 -4.19 0.29 0.00 0.04 0.00 0.00 34.50 30.63 1n4c s PRO 180 CO 0.05 -2.09 1.21 -0.11 0.04 0.00 0.00 177.00 176.11 1n4c n LEU 181 N 10.37 5.41 0.00 -3.56 7.94 -1.26 -5.20 117.00 130.70 1n4c n LEU 181 Ca 0.16 -5.38 0.00 0.00 -1.11 0.00 0.00 56.01 49.68 1n4c n LEU 181 Cb 0.49 -0.96 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1n4c n LEU 181 CO 0.71 1.96 0.00 0.00 -1.11 0.00 0.00 177.39 178.94