#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n4c s PRO 2 N 0.00 3.93 0.00 1.61 0.04 -1.26 -4.69 135.00 134.63 1n4c s PRO 2 Ca 0.00 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1n4c s PRO 2 Cb 0.00 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1n4c s PRO 2 CO 0.00 -1.10 0.00 1.47 0.04 0.00 0.00 177.00 177.41 1n4c n LEU 3 N 7.61 0.00 0.00 -3.56 -0.00 -1.26 -5.10 117.00 114.69 1n4c n LEU 3 Ca 0.15 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1n4c n LEU 3 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1n4c n LEU 3 CO 0.63 0.35 0.00 0.61 -0.00 0.00 0.00 177.39 178.98 1n4c n GLY 4 N 0.00 -1.26 2.70 1.47 0.00 -1.26 -5.06 105.19 101.77 1n4c n GLY 4 Ca 0.00 0.72 -0.06 0.00 0.00 0.00 0.00 46.02 46.68 1n4c n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n4c n SER 5 N 0.00 -1.79 -4.81 1.61 2.88 -1.26 -5.15 113.62 105.10 1n4c n SER 5 Ca 0.00 -2.77 -0.33 0.00 -1.33 0.00 0.00 58.87 54.44 1n4c n SER 5 Cb 0.00 1.53 -0.02 0.00 -0.75 0.00 0.00 64.21 64.97 1n4c n SER 5 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1n4c s PRO 6 N 0.17 3.67 0.57 -1.46 0.04 -1.26 -4.99 135.00 131.73 1n4c s PRO 6 Ca 0.21 1.24 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 1n4c s PRO 6 Cb 0.29 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 1n4c s PRO 6 CO -0.13 -0.53 0.95 0.39 0.04 0.00 0.00 177.00 177.72 1n4c n GLU 7 N -1.41 0.95 -3.15 4.56 1.02 -1.26 -4.99 120.64 116.36 1n4c n GLU 7 Ca 0.09 0.36 0.05 0.00 -0.02 0.00 0.00 57.16 57.64 1n4c n GLU 7 Cb 0.53 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.82 1n4c n GLU 7 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1n4c s PHE 8 N -1.49 -1.08 0.00 -0.32 5.36 -1.26 -5.01 117.98 114.18 1n4c s PHE 8 Ca 0.73 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1n4c s PHE 8 Cb -0.44 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.51 1n4c s PHE 8 CO 0.49 -0.61 0.00 -1.13 -1.46 0.00 0.00 175.22 172.51 1n4c n SER 9 N 5.35 0.00 -2.72 6.13 3.41 -1.26 -5.02 113.62 119.51 1n4c n SER 9 Ca 0.02 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.54 1n4c n SER 9 Cb 0.54 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.58 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 -0.48 0.90 -2.44 4.33 1.56 -1.26 -5.12 117.12 114.61 1n4c n MET 10 Ca 0.00 -1.77 -0.43 0.00 -0.27 0.00 0.00 57.70 55.23 1n4c n MET 10 Cb 0.00 -0.94 -0.02 0.00 2.15 0.00 0.00 33.22 34.41 1n4c n MET 10 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1n4c s PRO 11 N 0.26 4.10 0.47 2.12 0.04 -1.26 -4.99 135.00 135.74 1n4c s PRO 11 Ca 0.22 1.47 -0.22 0.00 0.04 0.00 0.00 61.00 62.51 1n4c s PRO 11 Cb 0.29 -3.80 -0.10 0.00 0.04 0.00 0.00 34.50 30.92 1n4c s PRO 11 CO -0.08 -0.88 0.84 1.58 0.04 0.00 0.00 177.00 178.51 1n4c n HIS 12 N 7.02 0.53 0.00 0.56 -0.00 -1.26 -4.82 115.22 117.25 1n4c n HIS 12 Ca 0.14 0.53 0.00 0.00 0.46 0.00 0.00 57.72 58.86 1n4c n HIS 12 Cb 0.46 -2.13 0.00 0.00 -0.12 0.00 0.00 29.99 28.20 1n4c n HIS 12 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1n4c n SER 13 N 0.46 0.00 -2.74 0.26 2.88 -1.26 -5.07 113.62 108.15 1n4c n SER 13 Ca 0.11 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.57 1n4c n SER 13 Cb 0.42 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1n4c n SER 13 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1n4c n SER 14 N -0.37 -2.72 -4.40 -3.46 3.41 -1.26 -5.15 113.62 99.69 1n4c n SER 14 Ca 0.00 -3.18 -0.38 0.00 -0.26 0.00 0.00 58.87 55.05 1n4c n SER 14 Cb 0.00 1.74 0.03 0.00 -0.26 0.00 0.00 64.21 65.71 1n4c n SER 14 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1n4c n PRO 15 N 1.56 0.34 0.00 4.33 -0.02 -1.26 -4.99 135.00 134.96 1n4c n PRO 15 Ca 0.08 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1n4c n PRO 15 Cb 0.64 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1n4c n PRO 15 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1n4c n GLN 16 N 0.44 1.99 -2.70 -0.52 6.02 -1.26 -5.04 117.38 116.31 1n4c n GLN 16 Ca 0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.03 1n4c n GLN 16 Cb 0.47 0.00 0.07 0.00 1.02 0.00 0.00 30.24 31.80 1n4c n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1n4c n ASN 17 N 0.00 -2.04 -2.71 1.08 4.05 -1.26 -5.04 115.26 109.34 1n4c n ASN 17 Ca 0.00 -2.51 -0.07 0.00 0.45 0.00 0.00 54.58 52.45 1n4c n ASN 17 Cb 0.00 1.26 0.10 0.00 1.23 0.00 0.00 39.78 42.36 1n4c n ASN 17 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1n4c n ARG 18 N 1.52 0.73 -1.59 1.20 0.63 -1.26 -5.15 116.66 112.72 1n4c n ARG 18 Ca 0.05 -1.52 -0.30 0.00 -0.92 0.00 0.00 57.85 55.15 1n4c n ARG 18 Cb 0.67 -0.74 0.08 0.00 0.45 0.00 0.00 32.46 32.92 1n4c n ARG 18 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1n4c s PRO 19 N 0.20 2.35 0.00 -0.14 0.04 -1.26 -4.90 135.00 131.30 1n4c s PRO 19 Ca 0.22 0.69 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 1n4c s PRO 19 Cb 0.29 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 1n4c s PRO 19 CO -0.10 -1.44 2.16 0.09 0.04 0.00 0.00 177.00 177.74 1n4c n ASN 20 N -3.32 4.62 -3.85 6.66 5.03 -1.26 -4.77 115.26 118.37 1n4c n ASN 20 Ca 0.07 -2.26 -0.07 0.00 0.87 0.00 0.00 54.58 53.19 1n4c n ASN 20 Cb 0.56 -1.05 -0.02 0.00 -1.02 0.00 0.00 39.78 38.24 1n4c n ASN 20 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1n4c s TYR 21 N 0.55 -0.18 -0.24 3.10 2.02 -1.26 -5.08 117.35 116.25 1n4c s TYR 21 Ca 0.17 -0.27 0.06 0.00 -0.37 0.00 0.00 57.07 56.65 1n4c s TYR 21 Cb 0.08 0.69 0.21 0.00 -0.40 0.00 0.00 41.96 42.53 1n4c s TYR 21 CO 0.00 -1.22 1.10 0.27 -1.57 0.00 0.00 175.55 174.13 1n4c n ASN 22 N -0.46 -1.03 -4.73 2.29 6.94 -1.26 -5.05 115.26 111.96 1n4c n ASN 22 Ca -0.04 -1.77 -0.41 0.00 -0.02 0.00 0.00 54.58 52.33 1n4c n ASN 22 Cb 0.59 0.61 -0.04 0.00 -2.36 0.00 0.00 39.78 38.58 1n4c n ASN 22 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1n4c s VAL 23 N 0.08 4.37 0.36 3.53 -7.23 -1.26 -5.00 120.40 115.26 1n4c s VAL 23 Ca 0.07 1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 61.91 1n4c s VAL 23 Cb 0.22 -4.24 -0.10 0.00 0.56 0.00 0.00 36.38 32.83 1n4c s VAL 23 CO -0.06 0.28 1.28 -0.55 -0.31 0.00 0.00 175.10 175.75 1n4c s SER 24 N 0.12 6.60 -0.92 4.85 0.15 -1.26 -4.86 113.70 118.38 1n4c s SER 24 Ca 0.48 2.63 -0.25 0.00 0.70 0.00 0.00 55.95 59.52 1n4c s SER 24 Cb -0.25 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.36 1n4c s SER 24 CO 0.31 -0.64 2.01 0.12 1.20 0.00 0.00 173.24 176.23 1n4c s PHE 25 N -1.21 1.73 1.20 3.44 5.36 -1.26 -4.94 117.98 122.30 1n4c s PHE 25 Ca 0.52 0.81 -0.16 0.00 -0.96 0.00 0.00 56.93 57.15 1n4c s PHE 25 Cb -0.38 -3.95 0.26 0.00 -0.34 0.00 0.00 43.02 38.61 1n4c s PHE 25 CO 0.50 -1.65 0.70 0.43 -1.46 0.00 0.00 175.22 173.73 1n4c n SER 26 N 14.71 -2.29 0.00 6.13 7.64 -1.26 -5.03 113.62 133.52 1n4c n SER 26 Ca 0.41 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1n4c n SER 26 Cb 0.46 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1n4c n SER 26 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1n4c n SER 27 N -4.10 0.00 -2.73 6.43 2.88 -1.26 -5.10 113.62 109.74 1n4c n SER 27 Ca 0.03 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 1n4c n SER 27 Cb 0.56 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.11 1n4c n SER 27 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1n4c n MET 28 N 0.00 0.95 -2.42 -1.46 0.00 -1.26 -5.12 117.12 107.81 1n4c n MET 28 Ca 0.00 -1.83 -0.43 0.00 0.00 0.00 0.00 57.70 55.44 1n4c n MET 28 Cb 0.00 -0.98 -0.02 0.00 0.00 0.00 0.00 33.22 32.21 1n4c n MET 28 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1n4c s PRO 29 N 0.27 3.95 0.00 3.17 0.04 -1.26 -4.92 135.00 136.25 1n4c s PRO 29 Ca 0.22 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1n4c s PRO 29 Cb 0.29 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1n4c s PRO 29 CO -0.07 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1n4c n GLY 30 N 4.24 1.79 2.71 0.56 0.00 -1.26 -5.11 105.19 108.12 1n4c n GLY 30 Ca 0.15 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 -0.31 1.33 -0.02 0.00 -1.26 -5.03 105.19 99.90 1n4c n GLY 31 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1n4c n GLY 31 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n4c n GLN 32 N 0.69 0.00 -2.45 1.61 7.27 -1.26 -5.13 117.38 118.11 1n4c n GLN 32 Ca 0.03 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.75 1n4c n GLN 32 Cb 0.71 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.33 1n4c n GLN 32 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1n4c s ASN 33 N -1.12 6.26 0.00 1.69 2.20 -1.26 -4.87 114.94 117.84 1n4c s ASN 33 Ca 0.00 2.04 0.00 0.00 -0.94 0.00 0.00 52.86 53.96 1n4c s ASN 33 Cb 0.00 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.68 1n4c s ASN 33 CO 0.00 -0.84 0.00 -1.84 -2.94 0.00 0.00 177.10 171.48 1n4c n GLU 34 N -0.83 0.00 -1.55 3.55 0.28 -1.26 -4.89 120.64 115.94 1n4c n GLU 34 Ca 0.09 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.69 1n4c n GLU 34 Cb 0.51 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.41 1n4c n GLU 34 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1n4c n ARG 35 N -0.86 0.90 -0.10 3.44 1.74 -1.26 -4.34 116.66 116.19 1n4c n ARG 35 Ca 0.00 0.34 0.11 0.00 -0.77 0.00 0.00 57.85 57.53 1n4c n ARG 35 Cb 0.00 -1.91 0.48 0.00 -1.02 0.00 0.00 32.46 30.01 1n4c n ARG 35 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1n4c h GLY 36 N 0.82 0.63 -1.44 -0.13 0.00 -2.01 0.59 103.07 101.53 1n4c h GLY 36 Ca -0.45 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1n4c h GLY 36 CO 0.52 0.11 0.00 0.28 0.00 0.00 0.00 176.54 177.45 1n4c n LYS 37 N -4.47 0.97 0.00 4.80 5.02 -1.26 -3.24 118.16 119.97 1n4c n LYS 37 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1n4c n LYS 37 Cb 0.36 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1n4c n LYS 37 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n4c n ALA 38 N 0.24 0.00 -3.64 7.82 0.00 0.58 -5.10 120.51 120.41 1n4c n ALA 38 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1n4c n ALA 38 Cb 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 1n4c n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n4c s ALA 39 N 0.00 -1.97 0.00 0.00 0.00 0.17 -4.62 121.76 115.35 1n4c s ALA 39 Ca 0.00 2.39 0.00 0.00 0.00 0.00 0.00 51.96 54.35 1n4c s ALA 39 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1n4c s ALA 39 CO 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 175.76 175.22 1n4c n ALA 40 N 4.60 0.00 -3.48 0.00 0.00 -1.26 -3.95 120.51 116.42 1n4c n ALA 40 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1n4c n ALA 40 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1n4c n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n4c s ASN 41 N 2.00 -0.52 -0.02 0.00 4.22 -1.26 -5.07 114.94 114.30 1n4c s ASN 41 Ca 0.00 0.22 -0.22 0.00 -2.14 0.00 0.00 52.86 50.72 1n4c s ASN 41 Cb 0.00 0.49 -0.15 0.00 1.28 0.00 0.00 41.25 42.88 1n4c s ASN 41 CO 0.00 -0.72 1.00 -0.07 -2.04 0.00 0.00 177.10 175.27 1n4c h LEU 42 N 2.31 -0.35 -8.99 3.54 3.38 -2.03 -3.41 115.31 109.77 1n4c h LEU 42 Ca -0.27 -0.19 -0.57 0.00 0.09 0.00 0.00 57.88 56.94 1n4c h LEU 42 Cb 1.23 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1n4c h LEU 42 CO 0.36 0.09 1.21 -1.61 0.09 0.00 0.00 178.44 178.58 1n4c s GLU 43 N -4.01 3.60 0.22 1.13 2.02 -1.26 -4.53 118.70 115.86 1n4c s GLU 43 Ca -0.13 1.64 0.00 0.00 0.02 0.00 0.00 54.97 56.51 1n4c s GLU 43 Cb 0.01 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.12 1n4c s GLU 43 CO 0.46 -1.54 0.00 0.41 0.02 0.00 0.00 175.26 174.61 1n4c n GLY 44 N 5.02 -1.83 3.63 -1.39 0.00 -1.26 -5.15 105.19 104.21 1n4c n GLY 44 Ca 0.21 0.42 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 1n4c n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n4c s LYS 45 N -1.45 0.80 -0.03 1.61 -2.85 -1.26 -5.03 119.74 111.53 1n4c s LYS 45 Ca 0.00 0.97 -0.06 0.00 -1.00 0.00 0.00 55.97 55.88 1n4c s LYS 45 Cb 0.00 0.38 -0.24 0.00 -2.06 0.00 0.00 37.83 35.91 1n4c s LYS 45 CO 0.00 -0.10 3.53 1.04 0.10 0.00 0.00 175.35 179.92 1n4c n GLN 46 N 2.70 2.00 -2.67 1.78 6.02 -1.26 -3.84 117.38 122.10 1n4c n GLN 46 Ca -0.14 -1.07 -0.05 0.00 -0.01 0.00 0.00 57.00 55.73 1n4c n GLN 46 Cb 0.55 -1.98 0.04 0.00 1.02 0.00 0.00 30.24 29.87 1n4c n GLN 46 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1n4c n LYS 47 N 2.36 0.60 0.18 -1.09 3.00 -1.26 -4.97 118.16 116.98 1n4c n LYS 47 Ca 0.42 -1.16 0.13 0.00 -0.00 0.00 0.00 58.31 57.71 1n4c n LYS 47 Cb 0.88 -0.02 0.42 0.00 0.00 0.00 0.00 35.03 36.31 1n4c n LYS 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n4c h ALA 48 N 1.50 1.00 -0.64 3.14 0.00 -2.02 -3.44 119.26 118.80 1n4c h ALA 48 Ca -0.46 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.95 1n4c h ALA 48 Cb 1.26 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1n4c h ALA 48 CO -0.16 0.00 1.69 0.00 0.00 0.00 0.00 179.25 180.78 1n4c n ALA 49 N -1.95 0.51 -1.37 0.00 0.00 -1.26 -4.70 120.51 111.75 1n4c n ALA 49 Ca 0.03 -0.50 -0.53 0.00 0.00 0.00 0.00 53.44 52.44 1n4c n ALA 49 Cb 0.39 -2.62 -0.10 0.00 0.00 0.00 0.00 19.45 17.12 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 12.38 1.25 -3.83 0.00 9.92 -1.26 -4.67 116.55 130.34 1n4c n ASP 50 Ca 0.54 0.46 -0.37 0.00 -0.53 0.00 0.00 54.79 54.90 1n4c n ASP 50 Cb 0.23 -1.06 -0.11 0.00 -0.64 0.00 0.00 41.12 39.53 1n4c n ASP 50 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1n4c n PHE 51 N 9.12 0.56 -3.67 1.24 -0.00 -1.26 -4.67 117.46 118.77 1n4c n PHE 51 Ca 0.51 -0.61 -0.10 0.00 -0.00 0.00 0.00 57.45 57.25 1n4c n PHE 51 Cb 0.09 -1.40 -0.03 0.00 -0.00 0.00 0.00 39.48 38.14 1n4c n PHE 51 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1n4c s GLU 52 N 7.13 1.39 0.00 -4.13 -6.30 -1.26 -5.00 118.70 110.54 1n4c s GLU 52 Ca 0.71 -0.78 -0.01 0.00 -2.50 0.00 0.00 54.97 52.39 1n4c s GLU 52 Cb 0.09 0.55 -0.05 0.00 0.00 0.00 0.00 34.13 34.72 1n4c s GLU 52 CO 0.28 -0.60 1.18 -0.40 0.02 0.00 0.00 175.26 175.73 1n4c n ASP 53 N -0.36 2.04 0.07 -1.70 5.68 -1.26 -3.95 116.55 117.07 1n4c n ASP 53 Ca -0.11 -1.69 -0.08 0.00 -0.50 0.00 0.00 54.79 52.41 1n4c n ASP 53 Cb 0.63 -0.48 -0.11 0.00 -1.14 0.00 0.00 41.12 40.01 1n4c n ASP 53 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1n4c h LEU 54 N 4.49 0.08 -3.29 -2.12 5.85 -1.95 -3.28 115.31 115.09 1n4c h LEU 54 Ca 0.03 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1n4c h LEU 54 Cb 0.47 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 1n4c h LEU 54 CO 0.17 1.05 -0.04 0.18 -0.34 0.00 0.00 178.44 179.46 1n4c n LEU 55 N -3.40 5.45 0.00 2.25 4.77 -1.25 -4.77 117.00 120.04 1n4c n LEU 55 Ca -0.02 -2.69 -0.01 0.00 -0.03 0.00 0.00 56.01 53.26 1n4c n LEU 55 Cb 0.94 -1.19 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1n4c n LEU 55 CO 0.48 1.19 0.60 -0.24 -1.33 0.00 0.00 177.39 178.10 1n4c n SER 56 N 1.60 -1.14 -0.83 -1.43 2.88 -1.24 -4.93 113.62 108.55 1n4c n SER 56 Ca 0.13 -1.55 -0.06 0.00 -1.33 0.00 0.00 58.87 56.06 1n4c n SER 56 Cb 0.60 1.84 -0.03 0.00 -0.75 0.00 0.00 64.21 65.87 1n4c n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n4c n GLY 57 N -0.53 0.62 3.18 0.46 0.00 -1.26 -4.72 105.19 102.93 1n4c n GLY 57 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1n4c n GLY 57 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n4c n GLN 58 N -0.89 0.87 -0.89 1.61 -0.06 -1.26 -4.72 117.38 112.03 1n4c n GLN 58 Ca -0.06 -1.36 0.05 0.00 -2.00 0.00 0.00 57.00 53.62 1n4c n GLN 58 Cb 0.30 -2.62 -0.03 0.00 -4.06 0.00 0.00 30.24 23.83 1n4c n GLN 58 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1n4c n GLY 59 N 4.56 -3.33 0.36 1.69 0.00 -1.26 -4.35 105.19 102.86 1n4c n GLY 59 Ca 0.43 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.74 0.13 0.00 1.61 3.72 -1.26 -4.78 117.46 114.13 1n4c n PHE 60 Ca -0.03 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1n4c n PHE 60 Cb 0.34 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.13 0.00 -3.14 4.37 6.94 -1.26 -5.15 115.26 116.88 1n4c n ASN 61 Ca 0.02 0.00 0.05 0.00 -0.02 0.00 0.00 54.58 54.63 1n4c n ASN 61 Cb 0.19 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 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 -1.27 -3.52 -0.29 -2.53 0.00 -1.26 -5.01 121.76 107.87 1n4c s ALA 62 Ca 0.00 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1n4c s ALA 62 Cb 0.00 -2.75 0.09 0.00 0.00 0.00 0.00 23.12 20.47 1n4c s ALA 62 CO 0.00 -2.02 0.68 -1.58 0.00 0.00 0.00 175.76 172.84 1n4c s HIS 63 N 2.89 -1.14 0.24 0.00 5.04 -1.26 -5.14 115.29 115.92 1n4c s HIS 63 Ca 0.22 2.18 -0.30 0.00 -1.54 0.00 0.00 55.06 55.62 1n4c s HIS 63 Cb -0.04 0.68 -0.09 0.00 0.04 0.00 0.00 32.58 33.17 1n4c s HIS 63 CO -0.24 -0.56 0.98 -1.59 -2.34 0.00 0.00 174.74 170.99 1n4c s LYS 64 N 1.98 4.80 -0.10 2.88 -2.85 -1.26 -4.99 119.74 120.20 1n4c s LYS 64 Ca -0.09 1.56 -0.30 0.00 -1.00 0.00 0.00 55.97 56.15 1n4c s LYS 64 Cb -0.07 -3.27 -0.03 0.00 -2.06 0.00 0.00 37.83 32.41 1n4c s LYS 64 CO -0.20 0.43 1.24 -0.51 0.10 0.00 0.00 175.35 176.41 1n4c s ASP 65 N -1.03 7.00 0.26 0.03 1.01 -1.26 -5.00 116.67 117.67 1n4c s ASP 65 Ca 0.42 1.77 -0.26 0.00 0.71 0.00 0.00 52.55 55.20 1n4c s ASP 65 Cb -0.27 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.02 1n4c s ASP 65 CO 0.34 -0.67 0.88 -1.59 0.21 0.00 0.00 175.17 174.34 1n4c s LYS 66 N 2.77 4.61 -0.53 8.23 -2.85 -1.26 -4.92 119.74 125.78 1n4c s LYS 66 Ca 0.56 1.27 -0.28 0.00 -1.00 0.00 0.00 55.97 56.52 1n4c s LYS 66 Cb -0.24 -3.03 -0.10 0.00 -2.06 0.00 0.00 37.83 32.41 1n4c s LYS 66 CO 0.19 0.42 2.42 0.36 0.10 0.00 0.00 175.35 178.84 1n4c n LYS 67 N 1.03 0.96 -1.96 1.78 2.85 -1.26 -4.92 118.16 116.65 1n4c n LYS 67 Ca -0.01 0.08 -0.30 0.00 -1.05 0.00 0.00 58.31 57.04 1n4c n LYS 67 Cb 0.49 -2.98 0.19 0.00 -0.65 0.00 0.00 35.03 32.08 1n4c n LYS 67 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1n4c s GLY 68 N 10.74 1.80 0.90 2.58 0.00 -1.26 -5.06 107.32 117.02 1n4c s GLY 68 Ca 1.06 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 44.40 1n4c s GLY 68 CO 0.34 -0.48 1.12 2.56 0.00 0.00 0.00 173.10 176.63 1n4c s PRO 69 N -5.89 1.21 -0.81 2.90 0.04 -1.26 -4.98 135.00 126.21 1n4c s PRO 69 Ca 0.75 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1n4c s PRO 69 Cb -0.03 -1.83 0.35 0.00 0.04 0.00 0.00 34.50 33.02 1n4c s PRO 69 CO 0.53 -2.18 1.67 -2.13 0.04 0.00 0.00 177.00 174.93 1n4c n ARG 70 N -3.78 3.81 -3.49 4.56 0.63 -1.26 -4.98 116.66 112.15 1n4c n ARG 70 Ca 0.06 -4.24 -0.40 0.00 -0.92 0.00 0.00 57.85 52.36 1n4c n ARG 70 Cb 0.58 -2.33 -0.10 0.00 0.45 0.00 0.00 32.46 31.06 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 -4.83 5.25 -0.87 5.15 -4.23 -1.26 -4.92 115.64 109.93 1n4c s THR 71 Ca 0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1n4c s THR 71 Cb 0.33 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1n4c s THR 71 CO -0.25 0.01 0.89 -0.38 -0.54 0.00 0.00 174.62 174.35 1n4c n ILE 72 N 5.14 1.57 0.15 2.99 2.08 -1.26 -0.62 119.36 129.41 1n4c n ILE 72 Ca -0.11 0.47 0.12 0.00 0.56 0.00 0.00 62.75 63.79 1n4c n ILE 72 Cb 0.50 -1.47 0.07 0.00 -0.75 0.00 0.00 39.64 37.98 1n4c n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1n4c h ALA 73 N 1.65 0.70 0.00 -1.39 0.00 -2.00 -3.26 119.26 114.97 1n4c h ALA 73 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1n4c h ALA 73 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1n4c h ALA 73 CO 0.00 0.01 -0.19 1.49 0.00 0.00 0.00 179.25 180.55 1n4c h GLU 74 N 0.00 0.00 0.00 0.00 4.81 -1.27 -3.03 114.58 115.09 1n4c h GLU 74 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n4c h GLU 74 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1n4c h GLU 74 CO 0.00 0.19 -0.21 1.98 -0.73 0.00 0.00 179.01 180.25 1n4c h MET 75 N 0.00 0.00 0.00 1.92 4.05 -1.69 -3.33 114.93 115.89 1n4c h MET 75 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1n4c h MET 75 Cb 0.99 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 1n4c h MET 75 CO 0.03 0.00 0.61 -0.09 0.23 0.00 0.00 176.91 177.68 1n4c h ARG 76 N -0.69 0.00 -0.89 0.39 2.43 -1.70 0.24 114.38 114.16 1n4c h ARG 76 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1n4c h ARG 76 Cb 0.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1n4c h ARG 76 CO 0.00 0.00 0.49 -0.22 -1.51 0.00 0.00 179.97 178.73 1n4c h LYS 77 N 0.00 1.25 0.00 0.20 3.64 -1.63 -2.31 116.57 117.71 1n4c h LYS 77 Ca 0.00 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1n4c h LYS 77 Cb 1.21 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1n4c h LYS 77 CO 0.00 0.91 -0.33 1.49 -2.27 0.00 0.00 179.45 179.25 1n4c h GLU 78 N 1.25 0.00 0.00 1.90 4.81 -0.69 -3.28 114.58 118.57 1n4c h GLU 78 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1n4c h GLU 78 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1n4c h GLU 78 CO -0.05 0.86 0.58 0.93 -0.73 0.00 0.00 179.01 180.60 1n4c h GLU 79 N -1.00 0.00 -0.06 1.92 4.39 -1.52 0.66 114.58 118.96 1n4c h GLU 79 Ca -0.09 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.41 1n4c h GLU 79 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1n4c h GLU 79 CO -0.05 0.00 -0.82 0.52 -1.16 0.00 0.00 179.01 177.49 1n4c h MET 80 N 0.00 0.48 -0.00 2.33 2.86 -1.47 -2.80 114.93 116.33 1n4c h MET 80 Ca 0.00 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1n4c h MET 80 Cb 1.17 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1n4c h MET 80 CO 0.00 1.08 -0.11 0.00 1.06 0.00 0.00 176.91 178.94 1n4c n ALA 81 N -2.54 2.63 -0.20 6.32 0.00 0.23 -2.86 120.51 124.08 1n4c n ALA 81 Ca -0.06 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.28 1n4c n ALA 81 Cb 0.76 -1.39 0.20 0.00 0.00 0.00 0.00 19.45 19.02 1n4c n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1n4c n LYS 82 N -1.41 2.77 -2.58 0.00 4.76 -1.04 -4.68 118.16 115.97 1n4c n LYS 82 Ca 0.08 -2.20 -0.04 0.00 -2.87 0.00 0.00 58.31 53.28 1n4c n LYS 82 Cb 0.32 -1.35 0.04 0.00 -1.84 0.00 0.00 35.03 32.20 1n4c n LYS 82 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1n4c n GLU 83 N 0.85 0.59 -3.63 1.97 4.07 -1.07 -5.05 120.64 118.38 1n4c n GLU 83 Ca 0.15 -1.06 -0.36 0.00 -0.06 0.00 0.00 57.16 55.83 1n4c n GLU 83 Cb 0.48 0.02 -0.06 0.00 -0.06 0.00 0.00 31.44 31.81 1n4c n GLU 83 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1n4c s MET 84 N 0.09 3.30 0.35 5.31 -1.94 -1.14 -4.91 119.30 120.37 1n4c s MET 84 Ca 0.10 -3.29 -0.26 0.00 -1.71 0.00 0.00 55.69 50.52 1n4c s MET 84 Cb 0.20 -3.97 -0.13 0.00 2.01 0.00 0.00 34.83 32.94 1n4c s MET 84 CO -0.05 -1.26 0.92 -3.47 -0.01 0.00 0.00 175.02 171.15 1n4c n ASP 85 N 2.31 0.86 0.00 3.03 -0.08 -1.26 -4.69 116.55 116.73 1n4c n ASP 85 Ca 0.22 1.09 0.00 0.00 -1.51 0.00 0.00 54.79 54.59 1n4c n ASP 85 Cb 0.37 -1.27 0.00 0.00 2.34 0.00 0.00 41.12 42.56 1n4c n ASP 85 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1n4c n PRO 86 N 0.54 0.00 -0.04 -0.67 -0.04 -1.26 -0.23 135.00 133.29 1n4c n PRO 86 Ca 0.10 0.18 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1n4c n PRO 86 Cb 0.35 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 1n4c n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1n4c n GLU 87 N -1.12 0.65 0.10 0.54 4.07 -1.26 -4.00 120.64 119.62 1n4c n GLU 87 Ca 0.00 0.18 -0.04 0.00 -0.06 0.00 0.00 57.16 57.23 1n4c n GLU 87 Cb 0.05 -1.70 0.02 0.00 -0.06 0.00 0.00 31.44 29.76 1n4c n GLU 87 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1n4c h LYS 88 N 0.00 0.01 -0.72 5.31 1.57 -0.91 -3.10 116.57 118.73 1n4c h LYS 88 Ca -0.35 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1n4c h LYS 88 Cb 2.02 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.29 1n4c h LYS 88 CO 0.06 0.81 0.47 1.25 -0.57 0.00 0.00 179.45 181.48 1n4c h LEU 89 N 0.00 0.49 -1.87 2.94 7.12 -1.64 0.17 115.31 122.53 1n4c h LEU 89 Ca -0.01 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 1n4c h LEU 89 Cb 1.44 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.47 1n4c h LEU 89 CO 0.11 0.29 0.07 0.50 -0.13 0.00 0.00 178.44 179.28 1n4c h LYS 90 N 0.54 0.16 -0.01 1.25 1.63 -1.71 -2.41 116.57 116.02 1n4c h LYS 90 Ca 0.34 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1n4c h LYS 90 Cb 0.58 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1n4c h LYS 90 CO -0.11 0.11 -0.00 0.82 -3.45 0.00 0.00 179.45 176.82 1n4c h ILE 91 N 0.17 1.30 -0.81 2.00 2.04 -0.82 -2.38 117.51 119.00 1n4c h ILE 91 Ca 0.04 -0.88 0.23 0.00 1.00 0.00 0.00 64.86 65.26 1n4c h ILE 91 Cb -0.01 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1n4c h ILE 91 CO -0.01 0.23 0.69 -0.07 0.00 0.00 0.00 178.15 178.99 1n4c h LEU 92 N -0.35 0.00 0.03 1.44 3.38 -1.34 0.65 115.31 119.12 1n4c h LEU 92 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1n4c h LEU 92 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1n4c h LEU 92 CO 0.00 0.00 -1.18 -0.33 0.09 0.00 0.00 178.44 177.02 1n4c h GLU 93 N 0.00 0.06 -0.16 1.13 4.39 -1.38 -3.03 114.58 115.59 1n4c h GLU 93 Ca 0.38 -0.11 -0.11 0.00 0.34 0.00 0.00 59.36 59.87 1n4c h GLU 93 Cb 1.75 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 1n4c h GLU 93 CO -0.00 0.97 -0.33 2.35 -1.16 0.00 0.00 179.01 180.84 1n4c h TRP 94 N 0.02 0.63 -0.26 4.33 7.01 0.74 -3.05 115.95 125.37 1n4c h TRP 94 Ca -0.09 -0.23 -0.11 0.00 2.11 0.00 0.00 58.89 60.57 1n4c h TRP 94 Cb 1.86 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 28.80 1n4c h TRP 94 CO 0.01 0.95 -0.27 -0.84 -2.79 0.00 0.00 178.44 175.51 1n4c h ILE 95 N 0.13 1.31 0.00 2.65 3.07 -1.35 -2.85 117.51 120.48 1n4c h ILE 95 Ca 0.00 -1.44 0.00 0.00 1.55 0.00 0.00 64.86 64.97 1n4c h ILE 95 Cb 0.92 1.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 1n4c h ILE 95 CO 0.07 0.46 0.00 -1.84 -1.05 0.00 0.00 178.15 175.79 1n4c n GLU 96 N -4.31 0.10 -0.02 0.16 0.28 -1.14 -1.71 120.64 114.00 1n4c n GLU 96 Ca -0.04 0.23 -0.16 0.00 -0.16 0.00 0.00 57.16 57.02 1n4c n GLU 96 Cb 0.46 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.73 1n4c n GLU 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1n4c h GLY 97 N 1.93 0.52 -5.00 -1.84 0.00 -1.39 -3.43 103.07 93.86 1n4c h GLY 97 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.41 1n4c h GLY 97 CO 0.00 0.70 -0.16 0.58 0.00 0.00 0.00 176.54 177.66 1n4c n LYS 98 N -4.24 0.41 0.00 4.80 2.85 -1.06 -4.99 118.16 115.93 1n4c n LYS 98 Ca -0.09 -1.10 0.00 0.00 -1.05 0.00 0.00 58.31 56.07 1n4c n LYS 98 Cb 0.62 -0.57 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 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 1.03 0.58 -1.15 -1.58 0.28 -0.70 -2.62 120.64 116.48 1n4c n GLU 99 Ca 0.01 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.04 1n4c n GLU 99 Cb 0.71 -1.21 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 0.71 0.00 -3.16 3.44 0.63 -1.26 -4.75 116.66 112.27 1n4c n ARG 100 Ca 0.00 -1.65 -0.21 0.00 -0.92 0.00 0.00 57.85 55.07 1n4c n ARG 100 Cb 0.29 -0.17 -0.05 0.00 0.45 0.00 0.00 32.46 32.98 1n4c n ARG 100 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1n4c n ASN 101 N 0.33 0.21 -0.43 6.15 5.15 -1.08 -4.93 115.26 120.65 1n4c n ASN 101 Ca 0.04 -2.84 0.36 0.00 -0.60 0.00 0.00 54.58 51.54 1n4c n ASN 101 Cb 0.99 -0.48 0.64 0.00 -0.53 0.00 0.00 39.78 40.40 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 1.73 0.16 -0.85 -1.44 -0.00 -1.85 0.79 117.51 116.06 1n4c h ILE 102 Ca 0.07 -0.04 0.05 0.00 -0.00 0.00 0.00 64.86 64.94 1n4c h ILE 102 Cb 0.92 0.04 -0.05 0.00 -0.00 0.00 0.00 36.82 37.73 1n4c h ILE 102 CO 0.46 0.02 0.55 0.08 -0.00 0.00 0.00 178.15 179.27 1n4c h ARG 103 N 0.11 0.97 0.17 2.19 0.11 -1.97 -2.25 114.38 113.71 1n4c h ARG 103 Ca 0.80 -0.06 -0.27 0.00 0.10 0.00 0.00 59.98 60.55 1n4c h ARG 103 Cb 2.48 -0.22 0.02 0.00 1.11 0.00 0.00 29.97 33.36 1n4c h ARG 103 CO -0.40 0.64 -1.25 0.00 0.10 0.00 0.00 179.97 179.06 1n4c h ALA 104 N 1.52 -0.02 -0.71 0.08 0.00 0.18 -2.97 119.26 117.34 1n4c h ALA 104 Ca 0.35 -0.89 0.12 0.00 0.00 0.00 0.00 54.91 54.49 1n4c h ALA 104 Cb 0.13 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 1n4c h ALA 104 CO -0.12 0.64 0.30 -0.07 0.00 0.00 0.00 179.25 180.01 1n4c h LEU 105 N -0.16 0.32 -0.43 0.00 3.38 -1.03 0.79 115.31 118.18 1n4c h LEU 105 Ca -0.24 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1n4c h LEU 105 Cb 1.87 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 1n4c h LEU 105 CO 0.17 0.16 -0.09 0.17 0.09 0.00 0.00 178.44 178.94 1n4c h LEU 106 N 0.48 0.00 -1.28 1.67 8.10 -1.54 -0.85 115.31 121.89 1n4c h LEU 106 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.36 1n4c h LEU 106 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1n4c h LEU 106 CO -0.34 0.09 -0.16 -1.20 -4.11 0.00 0.00 178.44 172.71 1n4c n SER 107 N -3.14 2.15 0.00 0.17 7.64 0.31 -4.11 113.62 116.64 1n4c n SER 107 Ca 0.03 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1n4c n SER 107 Cb 0.50 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.47 0.00 0.30 0.44 -2.24 0.25 -4.61 114.28 108.88 1n4c n THR 108 Ca 0.14 -0.35 0.17 0.00 -2.27 0.00 0.00 64.05 61.73 1n4c n THR 108 Cb 0.48 1.29 0.92 0.00 -2.10 0.00 0.00 70.33 70.93 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 -1.31 -2.30 114.93 109.02 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 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.20 1n4c h MET 109 CO 0.00 0.04 -0.05 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 -1.04 115.15 115.71 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 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1n4c h HIS 110 CO 0.00 0.05 0.00 0.25 -3.07 0.00 0.00 177.93 175.16 1n4c n THR 111 N -3.86 0.00 -2.33 6.12 -2.24 -0.86 -3.58 114.28 107.53 1n4c n THR 111 Ca -0.03 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1n4c n THR 111 Cb 0.15 -0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.36 2.28 0.24 -0.40 -5.01 118.33 112.37 1n4c n VAL 112 Ca 0.09 -0.65 -0.25 0.00 -2.04 0.00 0.00 64.34 61.49 1n4c n VAL 112 Cb 0.04 0.81 0.10 0.00 -1.47 0.00 0.00 33.84 33.33 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 2.92 0.08 1.34 1.43 -1.19 -4.97 118.68 118.29 1n4c s LEU 113 Ca 0.22 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.16 1n4c s LEU 113 Cb 0.25 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.95 1n4c s LEU 113 CO -0.11 -1.87 0.56 -1.66 0.23 0.00 0.00 176.35 173.51 1n4c s TRP 114 N -3.27 3.79 -0.16 0.29 -2.14 -1.26 -4.98 118.94 111.21 1n4c s TRP 114 Ca 0.65 1.25 -0.31 0.00 2.66 0.00 0.00 56.10 60.35 1n4c s TRP 114 Cb -0.07 -2.48 -0.08 0.00 -3.10 0.00 0.00 33.47 27.73 1n4c s TRP 114 CO 0.45 0.58 2.10 0.00 -2.66 0.00 0.00 176.95 177.42 1n4c n ALA 115 N 1.65 1.44 0.00 2.67 0.00 -1.26 -3.01 120.51 121.99 1n4c n ALA 115 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1n4c n ALA 115 Cb 0.51 -2.72 0.00 0.00 0.00 0.00 0.00 19.45 17.23 1n4c n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n4c n GLY 116 N 5.39 2.84 3.56 0.00 0.00 -1.26 -5.08 105.19 110.64 1n4c n GLY 116 Ca 0.28 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1n4c n GLY 116 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n4c s GLU 117 N 0.00 2.32 -0.07 1.61 2.56 -1.16 -4.73 118.70 119.22 1n4c s GLU 117 Ca 0.00 1.48 0.14 0.00 0.00 0.00 0.00 54.97 56.59 1n4c s GLU 117 Cb 0.00 -4.53 0.44 0.00 2.00 0.00 0.00 34.13 32.04 1n4c s GLU 117 CO 0.00 -3.03 1.36 0.25 -0.56 0.00 0.00 175.26 173.28 1n4c n THR 118 N 7.91 1.50 -0.01 -1.70 -2.24 -1.26 -4.45 114.28 114.04 1n4c n THR 118 Ca 0.35 -1.30 -0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1n4c n THR 118 Cb 0.53 0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.31 0.65 -1.79 -0.78 4.76 -1.26 -4.91 118.16 115.14 1n4c n LYS 119 Ca 0.17 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.27 1n4c n LYS 119 Cb 0.64 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 32.12 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 -2.93 2.73 -0.59 2.13 -0.11 -1.26 -4.95 118.94 113.95 1n4c s TRP 120 Ca -0.06 0.32 -0.05 0.00 1.22 0.00 0.00 56.10 57.54 1n4c s TRP 120 Cb 0.09 -4.09 0.15 0.00 -1.50 0.00 0.00 33.47 28.13 1n4c s TRP 120 CO 0.83 -4.20 0.43 0.21 -4.62 0.00 0.00 176.95 169.60 1n4c s LYS 121 N 1.63 2.58 0.01 5.86 2.20 -1.26 -5.06 119.74 125.70 1n4c s LYS 121 Ca 0.75 -2.31 -0.35 0.00 -0.36 0.00 0.00 55.97 53.70 1n4c s LYS 121 Cb -0.47 -3.81 -0.17 0.00 -1.51 0.00 0.00 37.83 31.87 1n4c s LYS 121 CO 0.33 -1.17 0.92 -2.30 -0.36 0.00 0.00 175.35 172.76 1n4c n PRO 122 N 3.90 0.00 -3.29 4.03 -0.02 -1.26 -4.89 135.00 133.47 1n4c n PRO 122 Ca 0.05 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.14 1n4c n PRO 122 Cb 0.40 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.51 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 -0.04 5.14 0.07 -1.45 1.01 -1.26 -5.01 120.40 118.85 1n4c s VAL 123 Ca 0.79 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 1n4c s VAL 123 Cb -1.10 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 31.38 1n4c s VAL 123 CO 0.50 0.22 1.82 -0.83 0.00 0.00 0.00 175.10 176.81 1n4c s GLY 124 N 1.03 1.44 0.66 4.51 0.00 -1.26 -4.77 107.32 108.92 1n4c s GLY 124 Ca 0.23 1.31 0.05 0.00 0.00 0.00 0.00 44.72 46.31 1n4c s GLY 124 CO 0.09 3.18 1.15 -0.33 0.00 0.00 0.00 173.10 177.20 1n4c h MET 125 N 9.26 0.00 0.00 2.90 2.86 -1.95 2.60 114.93 130.61 1n4c h MET 125 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1n4c h MET 125 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1n4c h MET 125 CO 0.94 0.00 -0.26 0.00 1.06 0.00 0.00 176.91 178.65 1n4c n ALA 126 N -1.56 2.77 -0.56 6.32 0.00 -1.26 -3.72 120.51 122.50 1n4c n ALA 126 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 1n4c n ALA 126 Cb 0.89 -1.31 0.17 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.77 3.77 -1.27 0.00 9.92 0.87 -4.11 116.55 123.96 1n4c n ASP 127 Ca 0.06 -3.05 0.04 0.00 -0.53 0.00 0.00 54.79 51.31 1n4c n ASP 127 Cb 0.38 -0.72 0.05 0.00 -0.64 0.00 0.00 41.12 40.18 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 -0.41 1.19 -0.12 0.64 -0.00 -1.24 -4.75 117.00 112.30 1n4c n LEU 128 Ca 0.38 -2.21 0.15 0.00 -0.00 0.00 0.00 56.01 54.32 1n4c n LEU 128 Cb 1.25 -0.08 0.68 0.00 -0.00 0.00 0.00 43.42 45.27 1n4c n LEU 128 CO 0.39 0.61 0.93 1.33 -0.00 0.00 0.00 177.39 180.66 1n4c n VAL 129 N 0.20 0.00 -4.66 1.47 0.24 -1.26 -4.73 118.33 109.59 1n4c n VAL 129 Ca 0.08 -0.06 -0.33 0.00 -2.04 0.00 0.00 64.34 61.99 1n4c n VAL 129 Cb 1.04 -0.15 -0.16 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.35 2.33 0.51 3.34 -4.23 -1.26 -4.90 115.64 109.08 1n4c s THR 130 Ca 0.33 -0.89 0.36 0.00 -1.18 0.00 0.00 61.69 60.31 1n4c s THR 130 Cb 0.21 -1.95 0.56 0.00 1.34 0.00 0.00 72.50 72.65 1n4c s THR 130 CO 0.44 0.54 1.73 -0.65 -0.54 0.00 0.00 174.62 176.14 1n4c h PRO 131 N 7.26 0.07 -0.37 3.99 0.11 -1.95 0.60 132.00 141.71 1n4c h PRO 131 Ca -0.31 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.71 1n4c h PRO 131 Cb 1.19 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1n4c h PRO 131 CO 0.55 0.05 -0.08 0.93 -0.21 0.00 0.00 178.00 179.24 1n4c h GLU 132 N 0.07 0.70 -0.37 1.05 3.07 -1.96 0.37 114.58 117.51 1n4c h GLU 132 Ca 0.68 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 59.27 1n4c h GLU 132 Cb 2.48 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 30.33 1n4c h GLU 132 CO -0.11 0.85 0.20 1.96 -1.40 0.00 0.00 179.01 180.51 1n4c h GLN 133 N 0.50 0.50 0.04 2.33 1.08 -0.14 0.59 115.11 120.01 1n4c h GLN 133 Ca 0.09 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 1n4c h GLN 133 Cb 0.58 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1n4c h GLN 133 CO 0.03 0.38 -0.37 0.28 -0.95 0.00 0.00 178.83 178.20 1n4c h VAL 134 N 0.51 1.60 -0.12 -0.54 2.07 -0.92 -2.97 116.25 115.88 1n4c h VAL 134 Ca 0.13 -2.24 -0.11 0.00 0.82 0.00 0.00 66.70 65.31 1n4c h VAL 134 Cb 0.02 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1n4c h VAL 134 CO -0.02 0.61 -0.39 0.50 0.02 0.00 0.00 177.57 178.29 1n4c h LYS 135 N -0.58 0.27 -0.36 1.57 3.64 0.02 -0.84 116.57 120.28 1n4c h LYS 135 Ca -0.06 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.08 1n4c h LYS 135 Cb 1.21 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1n4c h LYS 135 CO 0.07 0.62 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.39 1n4c h LYS 136 N 0.23 0.74 0.06 1.90 3.64 0.09 -3.08 116.57 120.15 1n4c h LYS 136 Ca 0.02 -0.31 -0.25 0.00 -1.27 0.00 0.00 60.65 58.84 1n4c h LYS 136 Cb 0.80 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1n4c h LYS 136 CO 0.06 0.92 -1.19 0.28 -2.27 0.00 0.00 179.45 177.25 1n4c h VAL 137 N 0.64 1.52 -0.90 2.00 2.07 -1.35 -3.21 116.25 117.02 1n4c h VAL 137 Ca 0.08 -3.18 0.26 0.00 0.82 0.00 0.00 66.70 64.68 1n4c h VAL 137 Cb 0.77 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.35 1n4c h VAL 137 CO 0.06 0.90 0.68 0.22 0.02 0.00 0.00 177.57 179.45 1n4c h TYR 138 N 0.03 0.00 0.59 1.57 3.20 -1.06 0.99 116.97 122.29 1n4c h TYR 138 Ca -0.10 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1n4c h TYR 138 Cb 1.89 0.00 0.01 0.00 1.54 0.00 0.00 36.73 40.16 1n4c h TYR 138 CO 0.03 0.00 -0.28 -0.09 -1.64 0.00 0.00 178.16 176.18 1n4c h ARG 139 N 0.00 -0.77 -0.55 1.82 2.43 -1.59 -2.65 114.38 113.08 1n4c h ARG 139 Ca 0.43 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.66 1n4c h ARG 139 Cb 1.79 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 31.48 1n4c h ARG 139 CO -0.00 -0.48 0.36 -0.22 -1.51 0.00 0.00 179.97 178.12 1n4c h LYS 140 N -1.16 0.72 -0.96 0.20 3.64 -1.32 -1.41 116.57 116.28 1n4c h LYS 140 Ca -0.08 -0.04 0.22 0.00 -1.27 0.00 0.00 60.65 59.48 1n4c h LYS 140 Cb 0.64 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 1n4c h LYS 140 CO 0.13 0.47 0.62 0.00 -2.27 0.00 0.00 179.45 178.41 1n4c h ALA 141 N 1.21 2.15 0.00 5.00 0.00 -0.91 0.77 119.26 127.48 1n4c h ALA 141 Ca 0.20 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1n4c h ALA 141 Cb -0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1n4c h ALA 141 CO -0.05 -0.48 -0.61 0.28 0.00 0.00 0.00 179.25 178.39 1n4c h VAL 142 N 0.45 1.42 0.00 0.00 2.07 -0.89 -2.81 116.25 116.49 1n4c h VAL 142 Ca 0.52 -2.12 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 1n4c h VAL 142 Cb 1.24 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 1n4c h VAL 142 CO -0.23 0.60 -0.40 -0.07 0.02 0.00 0.00 177.57 177.48 1n4c h LEU 143 N 0.00 0.00 -1.54 2.57 3.38 0.98 -1.81 115.31 118.89 1n4c h LEU 143 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1n4c h LEU 143 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1n4c h LEU 143 CO 0.08 0.40 -0.23 0.58 0.09 0.00 0.00 178.44 179.36 1n4c h VAL 144 N 0.00 1.15 -0.11 1.22 2.07 -1.02 -2.94 116.25 116.62 1n4c h VAL 144 Ca -0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1n4c h VAL 144 Cb 0.77 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1n4c h VAL 144 CO 0.05 0.23 0.00 1.33 0.02 0.00 0.00 177.57 179.20 1n4c n VAL 145 N -4.24 2.02 -1.68 2.57 0.24 -1.03 -4.95 118.33 111.27 1n4c n VAL 145 Ca -0.02 -2.06 -0.47 0.00 -2.04 0.00 0.00 64.34 59.75 1n4c n VAL 145 Cb 0.29 -0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 32.40 1n4c n VAL 145 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 1n4c n HIS 146 N -1.00 2.32 -0.31 6.34 -0.00 -0.71 -4.79 115.22 117.08 1n4c n HIS 146 Ca 0.18 0.12 -0.01 0.00 -0.00 0.00 0.00 57.72 58.00 1n4c n HIS 146 Cb 0.73 -2.61 0.02 0.00 -0.00 0.00 0.00 29.99 28.14 1n4c n HIS 146 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1n4c n PRO 147 N 4.97 -0.20 -0.33 1.57 -0.02 -1.26 0.06 135.00 139.79 1n4c n PRO 147 Ca 0.19 1.23 0.26 0.00 -2.02 0.00 0.00 63.50 63.17 1n4c n PRO 147 Cb 0.30 -1.83 0.50 0.00 -0.02 0.00 0.00 33.50 32.44 1n4c n PRO 147 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1n4c h ASP 148 N 0.00 0.38 1.25 2.55 3.04 -1.97 1.98 116.42 123.65 1n4c h ASP 148 Ca 0.27 0.22 0.00 0.00 -3.24 0.00 0.00 57.03 54.28 1n4c h ASP 148 Cb 0.47 0.20 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 1n4c h ASP 148 CO -0.79 -0.25 0.00 0.29 -2.04 0.00 0.00 179.24 176.45 1n4c n LYS 149 N -5.15 0.18 -1.43 4.15 5.02 0.11 -3.35 118.16 117.70 1n4c n LYS 149 Ca 0.33 0.18 -0.05 0.00 -2.02 0.00 0.00 58.31 56.75 1n4c n LYS 149 Cb 1.06 -1.72 0.10 0.00 -0.02 0.00 0.00 35.03 34.45 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 -1.70 3.83 -2.59 7.82 0.00 0.64 -4.87 120.51 123.63 1n4c n ALA 150 Ca 0.06 -3.28 -0.42 0.00 0.00 0.00 0.00 53.44 49.79 1n4c n ALA 150 Cb 0.38 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.33 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 -3.31 4.69 -0.48 0.00 2.01 0.97 -3.88 115.64 115.64 1n4c s THR 151 Ca 0.41 0.95 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1n4c s THR 151 Cb 0.38 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.64 1n4c s THR 151 CO -0.04 -0.47 0.00 0.61 -0.69 0.00 0.00 174.62 174.02 1n4c n GLY 152 N 4.51 0.43 3.76 4.40 0.00 -1.26 -4.92 105.19 112.11 1n4c n GLY 152 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.15 4.73 0.42 1.61 -1.52 -1.25 -4.90 119.66 116.60 1n4c s GLN 153 Ca 0.00 1.35 0.36 0.00 -1.95 0.00 0.00 55.36 55.12 1n4c s GLN 153 Cb 0.00 -3.28 1.33 0.00 -0.22 0.00 0.00 33.01 30.84 1n4c s GLN 153 CO 0.00 0.52 1.26 -2.30 -0.25 0.00 0.00 175.29 174.51 1n4c n PRO 154 N 1.63 -0.01 -1.26 2.91 -0.02 -1.26 0.25 135.00 137.24 1n4c n PRO 154 Ca -0.03 0.92 -0.28 0.00 -2.02 0.00 0.00 63.50 62.09 1n4c n PRO 154 Cb 0.48 -2.01 0.14 0.00 -0.02 0.00 0.00 33.50 32.10 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 -3.80 3.11 0.15 6.00 4.11 -1.26 -4.63 117.16 120.84 1n4c n TYR 155 Ca 0.35 -2.28 -0.14 0.00 -0.00 0.00 0.00 57.90 55.83 1n4c n TYR 155 Cb 1.51 -1.13 -0.08 0.00 -0.00 0.00 0.00 39.34 39.64 1n4c n TYR 155 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1n4c h GLU 156 N 1.37 -0.31 -0.71 -3.48 4.81 0.31 -2.86 114.58 113.71 1n4c h GLU 156 Ca 0.62 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.99 1n4c h GLU 156 Cb 2.11 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 31.48 1n4c h GLU 156 CO 1.28 -0.16 0.31 0.37 -0.73 0.00 0.00 179.01 180.08 1n4c h GLN 157 N -0.39 0.48 -0.92 1.92 5.75 -1.82 -0.56 115.11 119.58 1n4c h GLN 157 Ca -0.03 -0.03 0.24 0.00 -0.15 0.00 0.00 58.65 58.68 1n4c h GLN 157 Cb 0.30 -0.11 -0.13 0.00 1.07 0.00 0.00 27.48 28.61 1n4c h GLN 157 CO 0.05 0.32 0.41 1.88 -2.65 0.00 0.00 178.83 178.84 1n4c h TYR 158 N 0.50 0.67 0.49 3.99 -1.99 -1.85 -0.06 116.97 118.72 1n4c h TYR 158 Ca 0.37 0.04 -0.02 0.00 2.00 0.00 0.00 58.73 61.12 1n4c h TYR 158 Cb 0.49 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.08 1n4c h TYR 158 CO -0.14 -0.09 -0.23 0.00 -0.00 0.00 0.00 178.16 177.69 1n4c h ALA 159 N 1.75 -0.66 -0.39 3.88 0.00 -1.07 -1.08 119.26 121.70 1n4c h ALA 159 Ca 0.60 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.39 1n4c h ALA 159 Cb 1.19 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1n4c h ALA 159 CO -0.56 -0.77 0.27 -0.22 0.00 0.00 0.00 179.25 177.96 1n4c h LYS 160 N -0.85 0.25 0.07 0.00 1.63 -1.14 1.05 116.57 117.59 1n4c h LYS 160 Ca -0.07 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 1n4c h LYS 160 Cb 0.58 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1n4c h LYS 160 CO 0.11 0.17 -0.03 0.52 -3.45 0.00 0.00 179.45 176.76 1n4c h MET 161 N 0.26 -0.09 0.00 1.90 2.86 -0.89 -3.26 114.93 115.71 1n4c h MET 161 Ca 0.17 0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.68 1n4c h MET 161 Cb 0.35 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1n4c h MET 161 CO -0.03 0.48 -0.66 0.82 1.06 0.00 0.00 176.91 178.58 1n4c h ILE 162 N -0.82 1.17 -0.21 -1.22 2.04 -0.94 -3.22 117.51 114.31 1n4c h ILE 162 Ca -0.01 -2.56 -0.00 0.00 1.00 0.00 0.00 64.86 63.29 1n4c h ILE 162 Cb 0.62 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 1n4c h ILE 162 CO 0.02 0.65 0.13 0.15 0.00 0.00 0.00 178.15 179.09 1n4c h PHE 163 N 0.00 0.27 0.00 1.37 3.04 0.10 -2.14 116.94 119.59 1n4c h PHE 163 Ca -0.01 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 1n4c h PHE 163 Cb 1.46 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.87 1n4c h PHE 163 CO 0.00 0.20 -0.40 0.52 -2.02 0.00 0.00 178.31 176.62 1n4c h MET 164 N 0.26 0.00 0.00 1.11 2.86 -1.66 -2.93 114.93 114.57 1n4c h MET 164 Ca 0.07 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1n4c h MET 164 Cb 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1n4c h MET 164 CO -0.01 0.40 -0.51 0.93 1.06 0.00 0.00 176.91 178.78 1n4c h GLU 165 N 0.00 0.00 0.01 1.72 4.39 -1.45 0.12 114.58 119.37 1n4c h GLU 165 Ca -0.00 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 1n4c h GLU 165 Cb 0.88 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.55 1n4c h GLU 165 CO 0.05 0.51 -0.80 -0.07 -1.16 0.00 0.00 179.01 177.54 1n4c h LEU 166 N 0.00 0.69 0.00 1.33 -0.00 -1.22 -3.24 115.31 112.86 1n4c h LEU 166 Ca -0.01 -0.76 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 1n4c h LEU 166 Cb 0.92 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1n4c h LEU 166 CO 0.07 1.36 -0.35 -3.20 -0.00 0.00 0.00 178.44 176.31 1n4c n ASN 167 N -4.07 0.47 0.01 -0.43 2.85 -1.16 -3.31 115.26 109.62 1n4c n ASN 167 Ca -0.11 0.14 -0.02 0.00 -0.11 0.00 0.00 54.58 54.48 1n4c n ASN 167 Cb 0.77 -0.09 -0.01 0.00 1.24 0.00 0.00 39.78 41.69 1n4c n ASN 167 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 1n4c h ASP 168 N 0.00 -0.11 0.13 1.20 3.58 -0.81 -3.26 116.42 117.15 1n4c h ASP 168 Ca 0.00 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1n4c h ASP 168 Cb 0.60 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 1n4c h ASP 168 CO 0.00 0.38 -0.09 0.00 -2.88 0.00 0.00 179.24 176.65 1n4c h ALA 169 N -1.03 1.69 -0.79 -0.78 0.00 -1.73 -2.21 119.26 114.41 1n4c h ALA 169 Ca -0.01 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1n4c h ALA 169 Cb 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1n4c h ALA 169 CO 0.02 0.11 0.42 2.35 0.00 0.00 0.00 179.25 182.16 1n4c h TRP 170 N 0.00 0.76 -0.26 0.00 2.91 -1.63 1.01 115.95 118.74 1n4c h TRP 170 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 1n4c h TRP 170 Cb 0.18 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.60 1n4c h TRP 170 CO 0.00 0.27 0.08 0.77 -1.03 0.00 0.00 178.44 178.52 1n4c h SER 171 N 0.68 0.33 0.46 2.65 0.02 -1.44 -1.43 113.55 114.83 1n4c h SER 171 Ca 0.40 -0.03 -0.30 0.00 -0.84 0.00 0.00 61.79 61.01 1n4c h SER 171 Cb 0.44 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1n4c h SER 171 CO -0.28 0.32 -1.39 -0.08 -1.14 0.00 0.00 176.83 174.26 1n4c h GLU 172 N 0.36 0.37 -0.85 3.45 4.81 -0.55 -2.46 114.58 119.71 1n4c h GLU 172 Ca 0.09 -0.62 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1n4c h GLU 172 Cb 0.12 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 1n4c h GLU 172 CO -0.01 1.29 0.55 0.35 -0.73 0.00 0.00 179.01 180.46 1n4c h PHE 173 N 0.10 1.07 -0.03 0.92 3.57 0.15 2.27 116.94 124.99 1n4c h PHE 173 Ca -0.20 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.23 1n4c h PHE 173 Cb 2.05 -0.36 0.01 0.00 2.79 0.00 0.00 35.95 40.44 1n4c h PHE 173 CO 0.09 0.68 -0.34 0.93 -2.23 0.00 0.00 178.31 177.44 1n4c h GLU 174 N 1.15 0.28 0.00 1.11 5.08 -1.34 -2.58 114.58 118.29 1n4c h GLU 174 Ca 0.31 -0.26 -0.19 0.00 -1.00 0.00 0.00 59.36 58.22 1n4c h GLU 174 Cb -0.12 0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.21 1n4c h GLU 174 CO -0.07 0.94 -0.74 -0.97 -1.00 0.00 0.00 179.01 177.18 1n4c h ASN 175 N -0.29 0.65 0.15 1.42 -0.73 -1.13 -0.17 115.58 115.48 1n4c h ASN 175 Ca -0.03 -0.75 -0.02 0.00 1.87 0.00 0.00 56.30 57.36 1n4c h ASN 175 Cb 1.04 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 39.43 1n4c h ASN 175 CO 0.07 1.32 -0.08 -0.61 -0.37 0.00 0.00 177.43 177.76 1n4c h GLN 176 N 0.05 0.00 -0.96 6.67 -0.00 0.37 -3.37 115.11 117.87 1n4c h GLN 176 Ca -0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.43 1n4c h GLN 176 Cb 1.44 0.00 -0.16 0.00 0.00 0.00 0.00 27.48 28.75 1n4c h GLN 176 CO 0.15 0.08 -0.47 0.20 0.00 0.00 0.00 178.83 178.79 1n4c s GLY 177 N -4.15 -1.29 -0.15 2.39 0.00 -0.97 -5.01 107.32 98.14 1n4c s GLY 177 Ca -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.36 1n4c s GLY 177 CO 0.61 3.69 3.05 -0.18 0.00 0.00 0.00 173.10 180.28 1n4c n GLN 178 N 3.14 1.96 -3.72 2.90 0.00 -0.08 -4.58 117.38 117.00 1n4c n GLN 178 Ca 0.17 -1.28 -0.01 0.00 -0.00 0.00 0.00 57.00 55.88 1n4c n GLN 178 Cb 0.57 -1.87 -0.01 0.00 0.00 0.00 0.00 30.24 28.92 1n4c n GLN 178 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1n4c s LYS 179 N -0.10 0.84 -0.30 3.69 1.02 -1.26 -5.10 119.74 118.53 1n4c s LYS 179 Ca 0.53 -0.48 -0.35 0.00 0.02 0.00 0.00 55.97 55.69 1n4c s LYS 179 Cb 0.29 0.28 -0.11 0.00 -0.52 0.00 0.00 37.83 37.77 1n4c s LYS 179 CO -0.06 -0.39 2.12 -2.30 -0.92 0.00 0.00 175.35 173.80 1n4c n PRO 180 N -0.51 1.27 -3.10 -1.68 -0.02 -1.26 -4.89 135.00 124.81 1n4c n PRO 180 Ca -0.07 0.38 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 1n4c n PRO 180 Cb 0.61 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1n4c n PRO 180 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1n4c n LEU 181 N 9.26 5.51 0.00 2.45 0.00 -1.26 -5.15 117.00 127.80 1n4c n LEU 181 Ca 0.37 -5.34 0.00 0.00 0.00 0.00 0.00 56.01 51.04 1n4c n LEU 181 Cb 0.24 -1.01 0.00 0.00 0.00 0.00 0.00 43.42 42.65 1n4c n LEU 181 CO 0.75 1.90 0.00 0.00 0.00 0.00 0.00 177.39 180.04