#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1t n LYS 2 N 0.00 0.13 -0.51 0.00 4.01 -1.26 -2.31 118.16 118.22 3i1t n LYS 2 Ca 0.00 0.20 -0.01 0.00 -0.51 0.00 0.00 58.31 57.98 3i1t n LYS 2 Cb 0.00 -1.50 0.17 0.00 -0.51 0.00 0.00 35.03 33.19 3i1t n LYS 2 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3i1t n LEU 3 N -1.35 3.88 -0.07 -0.35 7.99 -1.26 -4.17 117.00 121.68 3i1t n LEU 3 Ca 0.05 -2.00 -0.14 0.00 -0.01 0.00 0.00 56.01 53.92 3i1t n LEU 3 Cb 0.12 -0.62 -0.13 0.00 -0.11 0.00 0.00 43.42 42.68 3i1t n LEU 3 CO 0.11 0.55 0.41 -0.74 -1.51 0.00 0.00 177.39 176.21 3i1t h HIS 4 N 1.55 -0.00 0.00 -1.77 2.76 -1.83 -3.19 115.15 112.67 3i1t h HIS 4 Ca 0.10 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3i1t h HIS 4 Cb 1.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.44 3i1t h HIS 4 CO 0.64 0.96 0.00 -0.25 -1.30 0.00 0.00 177.93 177.98 3i1t n ASP 5 N -4.63 0.00 0.00 3.26 10.43 -1.26 -2.51 116.55 121.84 3i1t n ASP 5 Ca -0.10 -1.07 0.04 0.00 2.57 0.00 0.00 54.79 56.23 3i1t n ASP 5 Cb 0.46 0.00 0.25 0.00 1.84 0.00 0.00 41.12 43.67 3i1t n ASP 5 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1t n TYR 6 N -0.79 0.00 -1.01 1.24 9.36 -1.20 -2.98 117.16 121.78 3i1t n TYR 6 Ca 0.10 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.09 3i1t n TYR 6 Cb 0.05 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 38.89 3i1t n TYR 6 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3i1t n TYR 7 N -0.73 2.70 -2.65 2.98 9.36 -1.04 -4.33 117.16 123.45 3i1t n TYR 7 Ca 0.06 -1.95 -0.03 0.00 3.32 0.00 0.00 57.90 59.30 3i1t n TYR 7 Cb 0.03 -0.98 -0.03 0.00 -0.63 0.00 0.00 39.34 37.73 3i1t n TYR 7 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3i1t n LYS 8 N -0.84 0.08 -0.00 2.98 5.02 -1.16 -4.39 118.16 119.84 3i1t n LYS 8 Ca 0.53 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3i1t n LYS 8 Cb 1.29 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.30 3i1t n LYS 8 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i1t n ASP 9 N -0.50 1.65 0.00 4.39 10.43 -1.26 -4.70 116.55 126.55 3i1t n ASP 9 Ca -0.30 -1.63 0.00 0.00 2.57 0.00 0.00 54.79 55.43 3i1t n ASP 9 Cb 0.63 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.58 3i1t n ASP 9 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3i1t n GLU 10 N -0.30 0.00 -2.85 -1.24 0.28 -1.26 -5.14 120.64 110.13 3i1t n GLU 10 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 3i1t n GLU 10 Cb 0.16 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.05 3i1t n GLU 10 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i1t s VAL 11 N 0.00 3.56 0.00 3.84 1.01 -1.26 -4.20 120.40 123.35 3i1t s VAL 11 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3i1t s VAL 11 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3i1t s VAL 11 CO 0.00 -0.23 0.00 0.52 0.00 0.00 0.00 175.10 175.39 3i1t n VAL 12 N -2.18 0.00 0.07 2.92 0.31 -1.26 -4.37 118.33 113.81 3i1t n VAL 12 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.24 3i1t n VAL 12 Cb 0.58 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.38 3i1t n VAL 12 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3i1t h LYS 13 N 0.74 0.15 -0.73 5.55 6.56 -1.95 0.47 116.57 127.35 3i1t h LYS 13 Ca 0.00 -0.25 -0.03 0.00 -1.06 0.00 0.00 60.65 59.31 3i1t h LYS 13 Cb 0.00 0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 3i1t h LYS 13 CO 0.00 1.06 0.04 1.63 -2.06 0.00 0.00 179.45 180.12 3i1t n LYS 14 N -3.41 3.56 0.00 3.15 4.76 -1.26 -2.72 118.16 122.24 3i1t n LYS 14 Ca -0.08 -2.17 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 3i1t n LYS 14 Cb 1.00 -2.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 3i1t n LYS 14 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i1t n LEU 15 N 0.35 0.00 -0.00 -0.35 4.77 -1.14 -4.72 117.00 115.90 3i1t n LEU 15 Ca 0.21 -0.03 -0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3i1t n LEU 15 Cb 0.94 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.03 3i1t n LEU 15 CO 0.24 0.00 -0.01 0.23 -1.33 0.00 0.00 177.39 176.52 3i1t n MET 16 N -0.49 0.01 -0.44 3.23 2.81 0.16 -4.60 117.12 117.80 3i1t n MET 16 Ca 0.00 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.82 3i1t n MET 16 Cb 0.00 -0.25 0.08 0.00 -0.71 0.00 0.00 33.22 32.34 3i1t n MET 16 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i1t n THR 17 N -2.56 1.73 -0.11 2.03 -2.24 -1.10 -1.10 114.28 110.93 3i1t n THR 17 Ca -0.00 -0.69 -0.19 0.00 -2.27 0.00 0.00 64.05 60.89 3i1t n THR 17 Cb 0.01 -0.76 -0.08 0.00 -2.10 0.00 0.00 70.33 67.41 3i1t n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i1t n GLU 18 N -0.07 0.55 -2.91 -0.78 2.13 -1.19 -4.83 120.64 113.54 3i1t n GLU 18 Ca 0.21 0.39 -0.13 0.00 0.66 0.00 0.00 57.16 58.29 3i1t n GLU 18 Cb 0.90 -1.59 0.02 0.00 0.27 0.00 0.00 31.44 31.04 3i1t n GLU 18 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3i1t n PHE 19 N -4.41 -0.08 -2.85 4.31 7.35 -1.26 -5.01 117.46 115.52 3i1t n PHE 19 Ca -0.32 -3.10 -0.08 0.00 -0.76 0.00 0.00 57.45 53.18 3i1t n PHE 19 Cb 0.65 0.01 0.04 0.00 0.35 0.00 0.00 39.48 40.53 3i1t n PHE 19 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3i1t n ASN 20 N 0.09 -5.98 -3.97 -2.13 5.15 -1.25 -5.04 115.26 102.13 3i1t n ASN 20 Ca 0.15 -0.42 -0.31 0.00 -0.60 0.00 0.00 54.58 53.40 3i1t n ASN 20 Cb 0.74 -4.32 -0.16 0.00 -0.53 0.00 0.00 39.78 35.52 3i1t n ASN 20 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3i1t s TYR 21 N -3.22 2.54 -0.07 1.20 2.02 -0.25 -4.99 117.35 114.57 3i1t s TYR 21 Ca 0.26 -1.83 0.04 0.00 -0.37 0.00 0.00 57.07 55.18 3i1t s TYR 21 Cb -0.03 -1.64 -0.07 0.00 -0.40 0.00 0.00 41.96 39.81 3i1t s TYR 21 CO 0.59 -0.79 -0.01 0.09 -1.57 0.00 0.00 175.55 173.86 3i1t n ASN 22 N 4.63 3.36 -4.76 2.29 3.02 -1.26 -4.26 115.26 118.28 3i1t n ASN 22 Ca -0.13 -0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.00 3i1t n ASN 22 Cb 0.44 0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.98 3i1t n ASN 22 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i1t s SER 23 N -4.15 6.85 0.62 6.41 0.15 -1.26 -4.91 113.70 117.42 3i1t s SER 23 Ca -0.06 2.58 0.38 0.00 0.70 0.00 0.00 55.95 59.55 3i1t s SER 23 Cb 0.02 -2.64 2.09 0.00 -1.71 0.00 0.00 66.02 63.79 3i1t s SER 23 CO 0.25 -0.49 2.29 0.58 1.20 0.00 0.00 173.24 177.07 3i1t h VAL 24 N 3.18 0.23 0.00 4.45 2.07 -1.99 -2.78 116.25 121.42 3i1t h VAL 24 Ca -0.48 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3i1t h VAL 24 Cb 1.22 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3i1t h VAL 24 CO 0.68 0.01 -0.83 0.23 0.02 0.00 0.00 177.57 177.68 3i1t n MET 25 N -3.40 2.43 0.23 1.57 2.81 -1.26 -4.30 117.12 115.19 3i1t n MET 25 Ca -0.03 -0.03 0.16 0.00 -1.81 0.00 0.00 57.70 55.99 3i1t n MET 25 Cb 0.10 -1.10 0.78 0.00 -0.71 0.00 0.00 33.22 32.30 3i1t n MET 25 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3i1t h GLN 26 N 0.00 0.00 -6.34 0.03 4.15 -1.88 -3.39 115.11 107.67 3i1t h GLN 26 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.85 3i1t h GLN 26 Cb 0.34 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 3i1t h GLN 26 CO 0.00 0.00 1.16 0.14 -1.93 0.00 0.00 178.83 178.20 3i1t s VAL 27 N -3.71 3.69 -0.18 2.39 -7.23 -1.25 -4.93 120.40 109.18 3i1t s VAL 27 Ca -0.02 0.74 -0.32 0.00 -1.81 0.00 0.00 61.98 60.57 3i1t s VAL 27 Cb 0.09 -3.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 3i1t s VAL 27 CO 0.34 -0.46 2.09 -2.65 -0.31 0.00 0.00 175.10 174.11 3i1t n PRO 28 N 8.02 1.95 -3.06 4.82 -0.02 -1.26 -4.93 135.00 140.51 3i1t n PRO 28 Ca 0.19 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 3i1t n PRO 28 Cb 0.46 -2.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.02 3i1t n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i1t s ARG 29 N 5.43 3.23 0.20 -0.52 0.52 -1.26 -4.83 118.95 121.72 3i1t s ARG 29 Ca 0.99 -0.54 -0.32 0.00 -0.52 0.00 0.00 55.73 55.34 3i1t s ARG 29 Cb -0.57 -4.03 -0.15 0.00 0.52 0.00 0.00 34.95 30.72 3i1t s ARG 29 CO 0.44 -1.20 1.18 1.33 0.02 0.00 0.00 175.30 177.07 3i1t n VAL 30 N 5.85 1.03 0.00 3.52 0.24 -1.26 -4.19 118.33 123.52 3i1t n VAL 30 Ca -0.03 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 3i1t n VAL 30 Cb 0.47 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 3i1t n VAL 30 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1t n GLU 31 N 1.68 0.00 -0.58 7.34 4.07 -1.25 -5.03 120.64 126.87 3i1t n GLU 31 Ca 0.14 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.18 3i1t n GLU 31 Cb 0.27 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.58 3i1t n GLU 31 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i1t n LYS 32 N 0.00 0.00 -3.17 5.31 4.81 -1.20 -4.76 118.16 119.14 3i1t n LYS 32 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 3i1t n LYS 32 Cb 0.00 -0.44 -0.06 0.00 0.02 0.00 0.00 35.03 34.55 3i1t n LYS 32 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3i1t s ILE 33 N 0.00 4.65 0.02 3.15 1.01 -1.25 -3.62 121.20 125.16 3i1t s ILE 33 Ca 0.35 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.17 3i1t s ILE 33 Cb -0.23 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3i1t s ILE 33 CO 0.15 0.23 0.00 0.41 0.00 0.00 0.00 174.94 175.74 3i1t n THR 34 N 0.79 0.28 -1.71 2.92 -1.04 -1.22 0.53 114.28 114.84 3i1t n THR 34 Ca -0.03 0.09 0.07 0.00 -2.04 0.00 0.00 64.05 62.14 3i1t n THR 34 Cb 0.51 -1.12 -0.02 0.00 -1.82 0.00 0.00 70.33 67.88 3i1t n THR 34 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i1t n LEU 35 N -2.73 0.00 0.00 -4.42 4.32 -1.23 -3.93 117.00 109.02 3i1t n LEU 35 Ca 0.00 0.55 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 3i1t n LEU 35 Cb 0.00 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.26 3i1t n LEU 35 CO 0.00 -1.20 0.00 -3.20 -1.22 0.00 0.00 177.39 171.77 3i1t n ASN 36 N -2.12 0.00 -0.00 -1.43 5.15 -1.24 -4.08 115.26 111.53 3i1t n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3i1t n ASN 36 Cb 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 3i1t n ASN 36 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 3i1t n MET 37 N -0.07 0.00 -2.91 1.20 0.00 -1.26 -3.61 117.12 110.47 3i1t n MET 37 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.42 3i1t n MET 37 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.20 3i1t n MET 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3i1t s GLY 38 N -0.01 1.76 -0.14 -5.12 0.00 -1.26 -3.88 107.32 98.67 3i1t s GLY 38 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 3i1t s GLY 38 CO 0.00 -0.24 -0.24 -0.62 0.00 0.00 0.00 173.10 172.00 3i1t n VAL 39 N -1.55 1.21 0.00 1.40 0.31 -0.97 -4.86 118.33 113.86 3i1t n VAL 39 Ca 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3i1t n VAL 39 Cb 0.54 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 3i1t n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1t n GLY 40 N 1.98 3.06 0.00 2.92 0.00 -1.26 -3.67 105.19 108.22 3i1t n GLY 40 Ca -0.24 0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3i1t n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i1t n GLU 41 N 14.00 0.00 0.00 1.61 0.00 -1.26 -4.19 120.64 130.80 3i1t n GLU 41 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 57.16 57.65 3i1t n GLU 41 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.41 3i1t n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1t n ALA 42 N -1.08 0.00 -0.19 -1.84 0.00 -1.24 -4.64 120.51 111.51 3i1t n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1t n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1t n ALA 42 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i1t n ILE 43 N 0.00 0.00 -0.18 0.00 0.13 -1.26 -2.70 119.36 115.35 3i1t n ILE 43 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 62.75 61.62 3i1t n ILE 43 Cb 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 39.64 38.83 3i1t n ILE 43 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i1t h ALA 44 N -0.19 0.19 0.00 1.51 0.00 -1.98 -3.32 119.26 115.46 3i1t h ALA 44 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i1t h ALA 44 Cb 0.00 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3i1t h ALA 44 CO 0.00 -0.54 -0.13 0.22 0.00 0.00 0.00 179.25 178.81 3i1t h ASP 45 N -0.09 0.00 0.00 0.00 -0.00 -1.90 -3.47 116.42 110.97 3i1t h ASP 45 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 3i1t h ASP 45 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.81 3i1t h ASP 45 CO -0.60 0.22 0.00 1.17 -0.00 0.00 0.00 179.24 180.03 3i1t n LYS 46 N -2.98 0.00 0.00 0.28 0.00 -1.25 -4.69 118.16 109.52 3i1t n LYS 46 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.31 3i1t n LYS 46 Cb 0.07 -2.47 0.12 0.00 0.00 0.00 0.00 35.03 32.74 3i1t n LYS 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i1t n LYS 47 N -1.29 0.09 -0.05 1.64 4.01 -1.26 0.15 118.16 121.45 3i1t n LYS 47 Ca 0.00 0.15 -0.14 0.00 -0.51 0.00 0.00 58.31 57.81 3i1t n LYS 47 Cb 0.00 -1.50 -0.12 0.00 -0.51 0.00 0.00 35.03 32.90 3i1t n LYS 47 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 3i1t h LEU 48 N 0.00 -0.00 0.00 -0.35 -0.00 -1.98 -3.18 115.31 109.80 3i1t h LEU 48 Ca 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 57.88 57.05 3i1t h LEU 48 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 3i1t h LEU 48 CO 0.00 0.84 -0.80 0.18 -0.00 0.00 0.00 178.44 178.66 3i1t n LEU 49 N -4.69 0.64 0.20 0.17 7.99 -0.46 -0.67 117.00 120.17 3i1t n LEU 49 Ca -0.09 0.07 0.04 0.00 -0.01 0.00 0.00 56.01 56.02 3i1t n LEU 49 Cb 0.41 -0.15 0.42 0.00 -0.11 0.00 0.00 43.42 43.98 3i1t n LEU 49 CO 0.34 0.02 0.77 -0.78 -1.51 0.00 0.00 177.39 176.22 3i1t h ASP 50 N 0.00 0.00 -0.00 -1.43 -0.00 0.12 0.22 116.42 115.32 3i1t h ASP 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i1t h ASP 50 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.03 3i1t h ASP 50 CO 0.00 0.32 -0.23 0.59 -0.00 0.00 0.00 179.24 179.92 3i1t n ASN 51 N -3.99 0.87 -0.03 2.28 4.13 -1.20 -4.42 115.26 112.89 3i1t n ASN 51 Ca -0.02 -0.93 -0.06 0.00 1.68 0.00 0.00 54.58 55.25 3i1t n ASN 51 Cb 0.38 0.63 -0.13 0.00 -1.54 0.00 0.00 39.78 39.12 3i1t n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1t n ALA 52 N -0.57 1.64 0.27 5.41 0.00 0.15 -2.17 120.51 125.24 3i1t n ALA 52 Ca 0.03 -0.86 0.13 0.00 0.00 0.00 0.00 53.44 52.74 3i1t n ALA 52 Cb 0.16 -0.69 0.77 0.00 0.00 0.00 0.00 19.45 19.68 3i1t n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 53 N 1.13 1.33 0.00 0.00 0.00 -0.80 0.66 119.26 121.58 3i1t h ALA 53 Ca -0.32 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3i1t h ALA 53 Cb 1.94 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 3i1t h ALA 53 CO 0.06 0.12 -0.91 0.00 0.00 0.00 0.00 179.25 178.51 3i1t h ALA 54 N 1.91 0.41 0.00 0.00 0.00 -1.76 -2.48 119.26 117.33 3i1t h ALA 54 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3i1t h ALA 54 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i1t h ALA 54 CO 0.01 1.14 0.00 -0.25 0.00 0.00 0.00 179.25 180.15 3i1t n ASP 55 N -3.33 0.00 0.03 0.00 9.92 0.85 -2.38 116.55 121.64 3i1t n ASP 55 Ca 0.00 0.26 -0.04 0.00 -0.53 0.00 0.00 54.79 54.48 3i1t n ASP 55 Cb 0.90 -0.41 -0.10 0.00 -0.64 0.00 0.00 41.12 40.88 3i1t n ASP 55 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3i1t h LEU 56 N 0.00 0.00 -0.28 0.64 7.12 0.56 -3.26 115.31 120.09 3i1t h LEU 56 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3i1t h LEU 56 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 3i1t h LEU 56 CO 0.00 0.81 0.00 0.00 -0.13 0.00 0.00 178.44 179.12 3i1t n ALA 57 N -2.43 2.01 0.13 1.25 0.00 -1.00 -0.48 120.51 120.00 3i1t n ALA 57 Ca -0.10 0.01 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 3i1t n ALA 57 Cb 0.93 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 19.11 3i1t n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 58 N 2.45 0.92 -0.02 0.00 0.00 -1.58 -2.49 119.26 118.55 3i1t h ALA 58 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3i1t h ALA 58 Cb 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i1t h ALA 58 CO 0.00 0.78 -0.18 -0.89 0.00 0.00 0.00 179.25 178.97 3i1t n ILE 59 N -3.73 0.00 -3.77 0.00 5.41 -1.13 -4.78 119.36 111.37 3i1t n ILE 59 Ca -0.01 -0.41 -0.30 0.00 1.00 0.00 0.00 62.75 63.03 3i1t n ILE 59 Cb 0.63 1.34 -0.14 0.00 -0.71 0.00 0.00 39.64 40.76 3i1t n ILE 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i1t s SER 60 N -1.92 3.97 0.00 4.38 0.15 0.37 -4.98 113.70 115.68 3i1t s SER 60 Ca 0.20 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 54.67 3i1t s SER 60 Cb 0.16 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.41 3i1t s SER 60 CO 0.36 -0.34 0.69 0.61 1.20 0.00 0.00 173.24 175.76 3i1t n GLY 61 N 4.15 1.17 0.00 9.45 0.00 -1.22 -4.21 105.19 114.52 3i1t n GLY 61 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3i1t n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1t n GLN 62 N 1.22 3.47 -3.91 1.61 1.13 -1.26 -5.10 117.38 114.54 3i1t n GLN 62 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 3i1t n GLN 62 Cb 0.24 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.46 3i1t n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3i1t s LYS 63 N 1.68 2.23 -0.03 -1.09 2.36 -1.26 -4.94 119.74 118.69 3i1t s LYS 63 Ca 0.00 -3.02 -0.37 0.00 -2.55 0.00 0.00 55.97 50.04 3i1t s LYS 63 Cb 0.00 -3.34 -0.15 0.00 -1.05 0.00 0.00 37.83 33.29 3i1t s LYS 63 CO 0.00 -1.21 1.59 -2.30 1.55 0.00 0.00 175.35 174.97 3i1t n PRO 64 N 2.47 1.52 0.00 4.03 -0.02 -1.26 -4.90 135.00 136.84 3i1t n PRO 64 Ca 0.14 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3i1t n PRO 64 Cb 0.34 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3i1t n PRO 64 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i1t n LEU 65 N 4.14 0.00 -0.01 2.45 -0.00 -1.26 -5.03 117.00 117.29 3i1t n LEU 65 Ca 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.22 3i1t n LEU 65 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.62 3i1t n LEU 65 CO 0.69 0.00 -0.54 0.00 -0.00 0.00 0.00 177.39 177.54 3i1t n ILE 66 N 0.00 0.08 -2.91 1.47 0.13 -1.26 -4.56 119.36 112.31 3i1t n ILE 66 Ca 0.00 -0.06 -0.02 0.00 -1.10 0.00 0.00 62.75 61.57 3i1t n ILE 66 Cb 0.00 -0.52 -0.01 0.00 -0.84 0.00 0.00 39.64 38.27 3i1t n ILE 66 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3i1t n THR 67 N -1.91 -6.32 -0.22 9.51 -2.24 -1.25 -3.28 114.28 108.57 3i1t n THR 67 Ca -0.02 1.19 -0.09 0.00 -2.27 0.00 0.00 64.05 62.86 3i1t n THR 67 Cb 0.40 -4.44 0.09 0.00 -2.10 0.00 0.00 70.33 64.27 3i1t n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i1t n LYS 68 N 1.80 -2.57 0.00 -0.78 4.01 -1.26 -1.04 118.16 118.32 3i1t n LYS 68 Ca -0.13 -0.46 0.00 0.00 -0.51 0.00 0.00 58.31 57.21 3i1t n LYS 68 Cb 0.29 -0.55 0.00 0.00 -0.51 0.00 0.00 35.03 34.26 3i1t n LYS 68 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1t n ALA 69 N -3.79 0.00 0.14 7.82 0.00 -1.18 -4.26 120.51 119.24 3i1t n ALA 69 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3i1t n ALA 69 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 3i1t n ALA 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1t n ARG 70 N 0.00 0.00 0.00 0.00 0.63 -1.26 -5.07 116.66 110.96 3i1t n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i1t n ARG 70 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i1t n ARG 70 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i1t n LYS 71 N -3.22 0.00 -1.97 -0.14 3.00 -1.26 -4.92 118.16 109.65 3i1t n LYS 71 Ca 0.00 0.31 -0.10 0.00 -0.00 0.00 0.00 58.31 58.52 3i1t n LYS 71 Cb 0.00 -1.30 -0.01 0.00 0.00 0.00 0.00 35.03 33.71 3i1t n LYS 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3i1t n SER 72 N -1.43 -3.58 0.00 3.14 2.88 -1.25 -4.86 113.62 108.53 3i1t n SER 72 Ca 0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3i1t n SER 72 Cb 0.00 -2.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.84 3i1t n SER 72 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i1t n VAL 73 N -3.69 0.20 -4.00 2.46 0.31 -1.26 -4.79 118.33 107.57 3i1t n VAL 73 Ca -0.11 -0.40 -0.29 0.00 -0.01 0.00 0.00 64.34 63.53 3i1t n VAL 73 Cb 0.53 1.17 -0.05 0.00 -0.91 0.00 0.00 33.84 34.58 3i1t n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1t s ALA 74 N -0.20 3.78 -1.66 3.52 0.00 -1.26 -4.98 121.76 120.96 3i1t s ALA 74 Ca 0.00 -1.00 0.31 0.00 0.00 0.00 0.00 51.96 51.27 3i1t s ALA 74 Cb 0.00 -1.61 1.67 0.00 0.00 0.00 0.00 23.12 23.18 3i1t s ALA 74 CO 0.00 0.69 2.12 0.41 0.00 0.00 0.00 175.76 178.98 3i1t n GLY 75 N 0.08 -1.17 0.00 0.00 0.00 -1.26 -3.65 105.19 99.19 3i1t n GLY 75 Ca -0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3i1t n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1t n PHE 76 N -1.17 0.00 -1.76 1.61 0.99 -1.26 -4.81 117.46 111.06 3i1t n PHE 76 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 3i1t n PHE 76 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.67 3i1t n PHE 76 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3i1t n LYS 77 N -0.38 0.00 -1.64 -1.08 3.00 -1.26 -5.14 118.16 111.67 3i1t n LYS 77 Ca 0.00 -0.08 -0.36 0.00 -0.00 0.00 0.00 58.31 57.87 3i1t n LYS 77 Cb 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 35.03 34.99 3i1t n LYS 77 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3i1t s ILE 78 N 0.00 2.14 0.00 3.15 1.01 -1.24 -5.03 121.20 121.23 3i1t s ILE 78 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.73 3i1t s ILE 78 Cb 0.00 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.57 3i1t s ILE 78 CO 0.00 -0.02 0.00 0.54 0.00 0.00 0.00 174.94 175.46 3i1t n ARG 79 N -2.19 0.00 -0.08 2.79 1.74 -1.26 -4.67 116.66 112.98 3i1t n ARG 79 Ca 0.15 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.12 3i1t n ARG 79 Cb 0.49 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.89 3i1t n ARG 79 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i1t h GLN 80 N 0.00 0.42 0.00 5.56 5.75 -1.89 -3.31 115.11 121.64 3i1t h GLN 80 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3i1t h GLN 80 Cb 0.00 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.50 3i1t h GLN 80 CO 0.00 0.56 0.00 0.41 -2.65 0.00 0.00 178.83 177.15 3i1t n GLY 81 N -0.43 -1.63 2.64 2.39 0.00 -1.26 -3.77 105.19 103.13 3i1t n GLY 81 Ca -0.03 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 3i1t n GLY 81 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i1t n TYR 82 N 0.00 -3.94 -0.02 1.61 4.19 -1.26 -3.57 117.16 114.18 3i1t n TYR 82 Ca 0.00 2.30 -0.02 0.00 3.31 0.00 0.00 57.90 63.49 3i1t n TYR 82 Cb 0.00 -3.53 0.02 0.00 0.49 0.00 0.00 39.34 36.31 3i1t n TYR 82 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3i1t n PRO 83 N 1.85 -1.60 0.00 2.98 -0.04 -1.26 -3.08 135.00 133.84 3i1t n PRO 83 Ca -0.35 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 3i1t n PRO 83 Cb 0.54 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 3i1t n PRO 83 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i1t n ILE 84 N -3.02 0.00 0.00 0.52 0.13 -0.21 -4.59 119.36 112.19 3i1t n ILE 84 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.66 3i1t n ILE 84 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.83 3i1t n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i1t n GLY 85 N -0.01 -0.53 2.93 4.50 0.00 -1.21 -2.30 105.19 108.58 3i1t n GLY 85 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.80 3i1t n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1t h LYS 87 N 6.08 -0.08 -4.00 0.00 2.10 -1.80 -3.31 116.57 115.55 3i1t h LYS 87 Ca -0.02 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3i1t h LYS 87 Cb 1.21 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3i1t h LYS 87 CO -0.02 -0.06 -0.03 0.28 -2.00 0.00 0.00 179.45 177.62 3i1t n VAL 88 N -2.57 -5.05 -1.68 0.07 0.31 -1.25 -3.65 118.33 104.51 3i1t n VAL 88 Ca -0.01 -0.03 -0.44 0.00 -0.01 0.00 0.00 64.34 63.85 3i1t n VAL 88 Cb 0.04 -5.03 -0.04 0.00 -0.91 0.00 0.00 33.84 27.91 3i1t n VAL 88 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i1t n THR 89 N -1.19 0.42 -3.08 2.52 -1.04 -1.26 -4.65 114.28 106.01 3i1t n THR 89 Ca 0.01 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.61 3i1t n THR 89 Cb 0.45 -2.03 -0.06 0.00 -1.82 0.00 0.00 70.33 66.87 3i1t n THR 89 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i1t s LEU 90 N 3.03 4.05 -0.30 -4.42 2.01 0.19 -4.98 118.68 118.26 3i1t s LEU 90 Ca 0.85 1.36 -0.16 0.00 0.01 0.00 0.00 54.13 56.19 3i1t s LEU 90 Cb -0.54 -4.15 0.21 0.00 0.01 0.00 0.00 46.19 41.73 3i1t s LEU 90 CO 0.41 -0.22 1.28 -0.60 1.01 0.00 0.00 176.35 178.23 3i1t s ARG 91 N -2.98 0.02 1.75 1.70 3.52 -1.26 -3.75 118.95 117.94 3i1t s ARG 91 Ca 0.55 0.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.19 3i1t s ARG 91 Cb -0.10 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.29 3i1t s ARG 91 CO 0.17 -0.00 0.00 0.41 -0.81 0.00 0.00 175.30 175.06 3i1t n GLY 92 N 3.13 0.01 0.24 8.12 0.00 -1.26 -4.48 105.19 110.95 3i1t n GLY 92 Ca -0.16 -1.40 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 3i1t n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i1t h GLU 93 N 0.00 -0.41 -3.14 1.61 4.39 -2.01 -2.92 114.58 112.09 3i1t h GLU 93 Ca 0.00 0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 3i1t h GLU 93 Cb 0.00 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3i1t h GLU 93 CO 0.00 -0.27 1.45 0.54 -1.16 0.00 0.00 179.01 179.57 3i1t n ARG 94 N -3.91 1.41 0.16 2.33 3.00 -1.26 -3.22 116.66 115.17 3i1t n ARG 94 Ca -0.05 -0.96 0.00 0.00 -0.01 0.00 0.00 57.85 56.83 3i1t n ARG 94 Cb 0.21 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 30.55 3i1t n ARG 94 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 3i1t n MET 95 N 3.72 0.00 -0.12 5.56 1.56 -1.11 -4.37 117.12 122.36 3i1t n MET 95 Ca 0.30 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.69 3i1t n MET 95 Cb 0.23 0.00 0.17 0.00 2.15 0.00 0.00 33.22 35.77 3i1t n MET 95 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 3i1t h TRP 96 N 0.00 0.85 0.00 1.12 6.55 -1.50 0.57 115.95 123.53 3i1t h TRP 96 Ca 0.00 -0.11 0.00 0.00 0.95 0.00 0.00 58.89 59.73 3i1t h TRP 96 Cb 0.00 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.06 3i1t h TRP 96 CO 0.00 0.77 -0.61 -0.85 -1.05 0.00 0.00 178.44 176.70 3i1t n GLU 97 N -4.23 0.27 -0.07 0.49 0.00 -1.20 -3.08 120.64 112.82 3i1t n GLU 97 Ca 0.03 0.08 -0.13 0.00 0.00 0.00 0.00 57.16 57.13 3i1t n GLU 97 Cb 0.28 -1.67 -0.02 0.00 0.00 0.00 0.00 31.44 30.03 3i1t n GLU 97 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i1t h PHE 98 N 0.00 1.03 0.00 -1.84 3.57 -1.59 -2.46 116.94 115.65 3i1t h PHE 98 Ca 0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3i1t h PHE 98 Cb 0.72 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.27 3i1t h PHE 98 CO 0.00 1.17 0.00 0.34 -2.23 0.00 0.00 178.31 177.59 3i1t n PHE 99 N -4.01 0.00 1.71 0.41 7.35 0.13 -2.56 117.46 120.50 3i1t n PHE 99 Ca -0.04 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.72 3i1t n PHE 99 Cb 0.61 -0.41 0.42 0.00 0.35 0.00 0.00 39.48 40.45 3i1t n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3i1t n GLU 100 N -1.41 0.86 -0.09 -4.13 2.13 -0.93 -2.42 120.64 114.65 3i1t n GLU 100 Ca 0.09 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.81 3i1t n GLU 100 Cb 0.26 -1.26 -0.14 0.00 0.27 0.00 0.00 31.44 30.57 3i1t n GLU 100 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3i1t n ARG 101 N -0.76 1.00 -2.66 5.31 1.74 -1.06 -4.64 116.66 115.59 3i1t n ARG 101 Ca 0.11 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 3i1t n ARG 101 Cb 0.05 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 3i1t n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i1t s LEU 102 N -5.41 4.40 -0.94 0.55 2.01 -1.01 -3.11 118.68 115.16 3i1t s LEU 102 Ca -0.11 1.76 -0.03 0.00 0.01 0.00 0.00 54.13 55.77 3i1t s LEU 102 Cb 0.06 -3.58 -0.03 0.00 0.01 0.00 0.00 46.19 42.65 3i1t s LEU 102 CO 0.73 -0.25 0.80 -0.38 1.01 0.00 0.00 176.35 178.26 3i1t n ILE 103 N 3.59 -6.65 0.00 -0.59 -0.00 -1.26 -4.94 119.36 109.51 3i1t n ILE 103 Ca 0.06 -0.82 0.00 0.00 -0.00 0.00 0.00 62.75 61.98 3i1t n ILE 103 Cb 0.50 -5.37 0.00 0.00 -0.00 0.00 0.00 39.64 34.76 3i1t n ILE 103 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3i1t n THR 104 N -3.26 0.00 0.14 1.39 -1.04 -1.24 -4.99 114.28 105.28 3i1t n THR 104 Ca -0.14 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.90 3i1t n THR 104 Cb 0.62 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.19 3i1t n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i1t n ILE 105 N 0.00 0.37 0.51 12.58 5.41 -1.26 -4.33 119.36 132.64 3i1t n ILE 105 Ca 0.00 -0.69 0.05 0.00 1.00 0.00 0.00 62.75 63.12 3i1t n ILE 105 Cb 0.00 0.91 -0.03 0.00 -0.71 0.00 0.00 39.64 39.81 3i1t n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1t n ALA 106 N 0.31 3.13 0.13 -1.39 0.00 -1.18 -4.55 120.51 116.96 3i1t n ALA 106 Ca 0.05 -0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.18 3i1t n ALA 106 Cb 0.25 -0.40 -0.12 0.00 0.00 0.00 0.00 19.45 19.19 3i1t n ALA 106 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1t n VAL 107 N -0.68 0.00 0.29 0.00 0.24 -1.26 -4.36 118.33 112.56 3i1t n VAL 107 Ca 0.04 -0.32 0.10 0.00 -2.04 0.00 0.00 64.34 62.12 3i1t n VAL 107 Cb 0.21 0.29 0.55 0.00 -1.47 0.00 0.00 33.84 33.43 3i1t n VAL 107 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i1t h PRO 108 N 0.00 0.00 -4.59 7.34 0.11 -1.80 -3.34 132.00 129.72 3i1t h PRO 108 Ca 0.00 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 65.40 3i1t h PRO 108 Cb 0.67 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.51 3i1t h PRO 108 CO 0.00 0.00 -0.54 1.03 -0.21 0.00 0.00 178.00 178.28 3i1t s ARG 109 N -3.86 2.69 0.02 1.05 0.52 -1.26 -5.04 118.95 113.07 3i1t s ARG 109 Ca -0.02 -1.21 -0.14 0.00 -0.52 0.00 0.00 55.73 53.83 3i1t s ARG 109 Cb 0.06 -3.65 -0.06 0.00 0.52 0.00 0.00 34.95 31.83 3i1t s ARG 109 CO 0.18 -0.75 0.42 0.96 0.02 0.00 0.00 175.30 176.13 3i1t s ILE 110 N 1.46 5.02 0.06 1.52 -0.00 -1.26 -4.96 121.20 123.06 3i1t s ILE 110 Ca 0.01 0.80 -0.09 0.00 -0.00 0.00 0.00 60.65 61.36 3i1t s ILE 110 Cb -0.20 -3.71 -0.30 0.00 -0.00 0.00 0.00 42.46 38.25 3i1t s ILE 110 CO 0.04 0.53 1.10 0.03 -0.00 0.00 0.00 174.94 176.64 3i1t h ARG 111 N 4.52 0.41 0.00 0.37 -0.00 -1.96 -3.44 114.38 114.27 3i1t h ARG 111 Ca -0.51 -0.66 0.00 0.00 -0.50 0.00 0.00 59.98 58.31 3i1t h ARG 111 Cb 1.22 0.24 0.00 0.00 0.00 0.00 0.00 29.97 31.42 3i1t h ARG 111 CO 0.62 1.30 0.00 -0.25 0.00 0.00 0.00 179.97 181.65 3i1t n ASP 112 N -3.63 0.00 -3.45 7.04 8.00 -1.26 -5.18 116.55 118.07 3i1t n ASP 112 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3i1t n ASP 112 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 3i1t n ASP 112 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i1t n PHE 113 N 0.00 -1.48 0.00 1.24 0.99 -1.26 -4.65 117.46 112.30 3i1t n PHE 113 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i1t n PHE 113 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3i1t n PHE 113 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i1t n ARG 114 N -0.84 0.00 -3.43 -1.08 0.63 -1.26 -4.92 116.66 105.76 3i1t n ARG 114 Ca 0.00 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.74 3i1t n ARG 114 Cb 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 32.80 3i1t n ARG 114 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3i1t s GLY 115 N 0.00 -0.05 0.00 5.14 0.00 -1.26 -4.99 107.32 106.16 3i1t s GLY 115 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.41 3i1t s GLY 115 CO 0.00 2.52 0.00 -0.10 0.00 0.00 0.00 173.10 175.52 3i1t n LEU 116 N 5.31 0.00 -3.82 0.66 7.94 -1.11 -5.02 117.00 120.95 3i1t n LEU 116 Ca -0.03 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.71 3i1t n LEU 116 Cb 0.46 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.26 3i1t n LEU 116 CO 0.02 0.00 -0.36 -0.55 -1.11 0.00 0.00 177.39 175.38 3i1t s SER 117 N -1.00 0.24 0.00 1.96 0.15 -0.71 -4.77 113.70 109.57 3i1t s SER 117 Ca 0.00 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.66 3i1t s SER 117 Cb 0.00 -0.13 0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3i1t s SER 117 CO 0.00 -0.09 0.95 0.00 1.20 0.00 0.00 173.24 175.30 3i1t n ALA 118 N 3.95 2.08 -2.58 5.45 0.00 -1.26 -3.99 120.51 124.16 3i1t n ALA 118 Ca -0.25 -0.94 -0.40 0.00 0.00 0.00 0.00 53.44 51.85 3i1t n ALA 118 Cb 0.52 -0.03 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 3i1t n ALA 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i1t s LYS 119 N -0.87 3.83 0.00 0.00 0.00 -1.26 -4.95 119.74 116.49 3i1t s LYS 119 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 55.97 55.85 3i1t s LYS 119 Cb 0.01 -3.72 0.00 0.00 0.00 0.00 0.00 37.83 34.12 3i1t s LYS 119 CO 0.01 -0.39 0.00 0.45 0.00 0.00 0.00 175.35 175.42 3i1t n SER 120 N 5.39 0.00 -4.86 0.03 2.88 -1.26 -4.97 113.62 110.83 3i1t n SER 120 Ca -0.08 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.25 3i1t n SER 120 Cb 0.50 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.93 3i1t n SER 120 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3i1t s PHE 121 N 0.00 2.77 0.00 0.66 -0.71 -1.26 -4.05 117.98 115.39 3i1t s PHE 121 Ca 0.00 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.47 3i1t s PHE 121 Cb 0.00 -2.01 0.00 0.00 -1.21 0.00 0.00 43.02 39.80 3i1t s PHE 121 CO 0.00 0.01 0.00 -0.25 -1.34 0.00 0.00 175.22 173.64 3i1t n ASP 122 N -1.46 0.00 0.00 1.98 8.00 -1.26 -4.93 116.55 118.87 3i1t n ASP 122 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3i1t n ASP 122 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3i1t n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1t n GLY 123 N 0.00 0.27 3.20 0.44 0.00 -1.26 -4.68 105.19 103.17 3i1t n GLY 123 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i1t n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1t s ARG 124 N 0.00 3.05 -0.43 1.61 0.52 -1.26 -2.76 118.95 119.69 3i1t s ARG 124 Ca 0.00 -2.53 -0.17 0.00 -0.52 0.00 0.00 55.73 52.51 3i1t s ARG 124 Cb 0.00 -4.05 0.02 0.00 0.52 0.00 0.00 34.95 31.45 3i1t s ARG 124 CO 0.00 -1.23 0.59 0.41 0.02 0.00 0.00 175.30 175.09 3i1t n GLY 125 N 3.66 -1.29 0.09 -3.53 0.00 -1.26 -3.31 105.19 99.54 3i1t n GLY 125 Ca 0.11 1.25 0.04 0.00 0.00 0.00 0.00 46.02 47.42 3i1t n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1t n ASN 126 N -0.27 1.65 -4.06 1.61 3.02 -1.26 -1.52 115.26 114.42 3i1t n ASN 126 Ca 0.11 -2.30 -0.38 0.00 -0.03 0.00 0.00 54.58 51.98 3i1t n ASN 126 Cb 0.46 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 3i1t n ASN 126 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3i1t n TYR 127 N -0.74 2.51 -2.42 3.10 4.02 -1.26 -4.70 117.16 117.67 3i1t n TYR 127 Ca 0.06 -1.83 -0.42 0.00 -0.01 0.00 0.00 57.90 55.70 3i1t n TYR 127 Cb 0.49 -2.17 -0.03 0.00 -0.02 0.00 0.00 39.34 37.61 3i1t n TYR 127 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i1t s SER 128 N 5.38 7.06 -0.68 7.72 0.01 -1.26 -4.71 113.70 127.22 3i1t s SER 128 Ca 0.61 1.96 -0.02 0.00 1.31 0.00 0.00 55.95 59.81 3i1t s SER 128 Cb 0.08 -2.57 0.44 0.00 0.21 0.00 0.00 66.02 64.18 3i1t s SER 128 CO 0.11 -0.51 2.04 1.15 0.41 0.00 0.00 173.24 176.44 3i1t n MET 129 N 4.36 2.68 -1.45 12.44 0.00 -0.50 -4.88 117.12 129.78 3i1t n MET 129 Ca 0.10 -3.28 -0.45 0.00 0.00 0.00 0.00 57.70 54.06 3i1t n MET 129 Cb 0.46 -2.28 -0.13 0.00 0.00 0.00 0.00 33.22 31.27 3i1t n MET 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i1t n GLY 130 N -0.87 -0.32 0.39 3.17 0.00 -1.26 -4.66 105.19 101.64 3i1t n GLY 130 Ca 0.62 1.10 0.25 0.00 0.00 0.00 0.00 46.02 47.99 3i1t n GLY 130 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i1t h VAL 131 N 7.72 0.41 0.00 1.61 -1.51 -1.85 -3.44 116.25 119.19 3i1t h VAL 131 Ca -0.09 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 3i1t h VAL 131 Cb 1.33 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3i1t h VAL 131 CO 1.29 0.07 0.00 0.54 -1.23 0.00 0.00 177.57 178.23 3i1t n ARG 132 N -4.77 0.00 0.00 5.19 1.74 -1.26 -4.63 116.66 112.94 3i1t n ARG 132 Ca 0.29 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3i1t n ARG 132 Cb 0.98 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.61 3i1t n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i1t n GLU 133 N -1.77 0.00 -0.53 5.56 0.00 -1.26 -4.87 120.64 117.77 3i1t n GLU 133 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 3i1t n GLU 133 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 31.44 31.66 3i1t n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1t n GLN 134 N 0.00 -2.41 -3.00 5.31 -0.00 -0.77 -4.97 117.38 111.53 3i1t n GLN 134 Ca 0.00 -0.69 -0.20 0.00 -0.00 0.00 0.00 57.00 56.11 3i1t n GLN 134 Cb 0.00 -1.89 -0.02 0.00 -0.00 0.00 0.00 30.24 28.32 3i1t n GLN 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3i1t n ILE 135 N -4.84 1.16 0.00 -0.39 -0.00 -1.26 -4.89 119.36 109.14 3i1t n ILE 135 Ca 0.02 -4.76 0.00 0.00 -0.00 0.00 0.00 62.75 58.02 3i1t n ILE 135 Cb 0.57 -0.59 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 3i1t n ILE 135 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3i1t n ILE 136 N 0.02 0.00 0.00 1.39 2.08 -1.26 -4.89 119.36 116.71 3i1t n ILE 136 Ca 0.26 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.57 3i1t n ILE 136 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 3i1t n ILE 136 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 3i1t n PHE 137 N 0.00 0.00 0.00 1.39 1.16 -1.26 -4.52 117.46 114.23 3i1t n PHE 137 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3i1t n PHE 137 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3i1t n PHE 137 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3i1t n PRO 138 N 0.00 0.00 -3.64 3.97 -0.02 -1.26 -4.96 135.00 129.09 3i1t n PRO 138 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3i1t n PRO 138 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3i1t n PRO 138 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i1t s GLU 139 N 0.00 0.05 -0.72 -0.52 -6.30 -1.26 -4.78 118.70 105.17 3i1t s GLU 139 Ca 0.00 0.01 -0.26 0.00 -2.50 0.00 0.00 54.97 52.21 3i1t s GLU 139 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 34.13 34.16 3i1t s GLU 139 CO 0.00 -0.02 1.51 0.42 0.02 0.00 0.00 175.26 177.20 3i1t s ILE 140 N -1.14 3.60 -0.69 -3.70 1.01 -1.26 -3.78 121.20 115.24 3i1t s ILE 140 Ca 0.09 0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 3i1t s ILE 140 Cb -0.01 -4.57 0.00 0.00 0.01 0.00 0.00 42.46 37.90 3i1t s ILE 140 CO -0.07 -1.51 0.67 0.47 0.00 0.00 0.00 174.94 174.50 3i1t n ASP 141 N 10.66 -7.48 -0.33 3.58 10.43 -1.26 -4.83 116.55 127.32 3i1t n ASP 141 Ca 0.12 -0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.42 3i1t n ASP 141 Cb 0.50 -4.87 0.00 0.00 1.84 0.00 0.00 41.12 38.59 3i1t n ASP 141 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1t n TYR 142 N -1.58 0.00 0.44 1.24 0.18 -1.25 -2.91 117.16 113.29 3i1t n TYR 142 Ca -0.02 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.82 3i1t n TYR 142 Cb 0.52 -0.04 0.20 0.00 -0.38 0.00 0.00 39.34 39.64 3i1t n TYR 142 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3i1t n ASP 143 N -0.04 2.68 -0.11 9.48 2.03 -1.26 -4.13 116.55 125.20 3i1t n ASP 143 Ca 0.00 -2.16 -0.19 0.00 0.52 0.00 0.00 54.79 52.96 3i1t n ASP 143 Cb 0.10 -0.38 -0.07 0.00 -0.72 0.00 0.00 41.12 40.05 3i1t n ASP 143 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3i1t n LYS 144 N 0.60 0.55 0.00 -0.67 2.85 -1.14 -5.05 118.16 115.31 3i1t n LYS 144 Ca 0.14 0.28 0.00 0.00 -1.05 0.00 0.00 58.31 57.68 3i1t n LYS 144 Cb 0.49 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 3i1t n LYS 144 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3i1t n VAL 145 N -4.38 0.00 0.00 0.58 0.24 -1.26 -4.96 118.33 108.55 3i1t n VAL 145 Ca -0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3i1t n VAL 145 Cb 0.67 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3i1t n VAL 145 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i1t n ASP 146 N -2.69 0.85 -2.09 -1.34 10.43 -1.26 -4.98 116.55 115.46 3i1t n ASP 146 Ca 0.00 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 57.15 3i1t n ASP 146 Cb 0.00 0.00 0.01 0.00 1.84 0.00 0.00 41.12 42.97 3i1t n ASP 146 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3i1t n ARG 147 N 0.00 2.02 -1.77 -1.24 0.00 -1.26 -4.96 116.66 109.46 3i1t n ARG 147 Ca 0.00 -1.87 0.00 0.00 -0.00 0.00 0.00 57.85 55.98 3i1t n ARG 147 Cb 0.00 -1.81 0.00 0.00 -0.00 0.00 0.00 32.46 30.65 3i1t n ARG 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i1t n VAL 148 N 0.46 -5.74 -3.69 8.89 0.24 -1.26 -5.09 118.33 112.14 3i1t n VAL 148 Ca 0.37 2.63 0.00 0.00 -2.04 0.00 0.00 64.34 65.31 3i1t n VAL 148 Cb 0.58 -3.58 0.00 0.00 -1.47 0.00 0.00 33.84 29.37 3i1t n VAL 148 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1t n ARG 149 N -0.56 1.75 0.00 7.34 5.12 -1.26 -5.05 116.66 124.00 3i1t n ARG 149 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1t n ARG 149 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1t n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1t n GLY 150 N 3.34 2.29 3.78 -0.13 0.00 -1.26 -1.85 105.19 111.36 3i1t n GLY 150 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.87 3i1t n GLY 150 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1t s LEU 151 N 0.00 -0.17 0.39 0.99 -0.00 -1.26 -3.98 118.68 114.65 3i1t s LEU 151 Ca 0.00 -0.47 -0.24 0.00 -0.00 0.00 0.00 54.13 53.43 3i1t s LEU 151 Cb 0.00 2.23 -0.10 0.00 -0.00 0.00 0.00 46.19 48.32 3i1t s LEU 151 CO 0.00 -0.98 1.00 1.51 -0.00 0.00 0.00 176.35 177.88 3i1t s ASP 152 N -2.98 6.91 -0.31 1.48 3.84 -1.26 -2.40 116.67 121.95 3i1t s ASP 152 Ca 0.13 1.90 -0.02 0.00 -0.00 0.00 0.00 52.55 54.55 3i1t s ASP 152 Cb -0.02 -2.57 0.11 0.00 -1.38 0.00 0.00 42.92 39.06 3i1t s ASP 152 CO 0.03 -0.38 0.14 -0.63 -0.00 0.00 0.00 175.17 174.33 3i1t s ILE 153 N -1.79 0.28 0.04 2.11 1.01 -1.26 -3.55 121.20 118.03 3i1t s ILE 153 Ca 0.58 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3i1t s ILE 153 Cb -0.18 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3i1t s ILE 153 CO 0.23 -0.76 0.06 -0.89 0.00 0.00 0.00 174.94 173.58 3i1t s THR 154 N 1.74 4.50 -0.12 2.92 2.01 -1.26 -1.42 115.64 124.01 3i1t s THR 154 Ca 0.11 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 3i1t s THR 154 Cb -0.18 -3.10 -0.25 0.00 0.01 0.00 0.00 72.50 68.98 3i1t s THR 154 CO -0.27 0.24 0.35 -0.38 -0.69 0.00 0.00 174.62 173.88 3i1t n ILE 155 N 0.87 1.71 -3.30 1.82 -0.00 -1.26 -3.40 119.36 115.80 3i1t n ILE 155 Ca -0.11 -0.68 -0.22 0.00 -0.00 0.00 0.00 62.75 61.74 3i1t n ILE 155 Cb 0.52 -1.53 0.02 0.00 -0.00 0.00 0.00 39.64 38.65 3i1t n ILE 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3i1t n THR 156 N -3.35 -6.92 -2.84 1.39 -1.04 -0.58 -3.40 114.28 97.54 3i1t n THR 156 Ca -0.31 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3i1t n THR 156 Cb 1.05 -5.08 0.00 0.00 -1.82 0.00 0.00 70.33 64.48 3i1t n THR 156 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i1t n THR 157 N -0.88 0.00 -1.39 12.58 -2.24 -1.21 -3.25 114.28 117.89 3i1t n THR 157 Ca -0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 3i1t n THR 157 Cb 0.59 -0.90 0.17 0.00 -2.10 0.00 0.00 70.33 68.10 3i1t n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i1t n THR 158 N -0.66 2.93 -2.66 4.28 -2.24 -1.26 -4.54 114.28 110.13 3i1t n THR 158 Ca 0.00 -2.52 -0.43 0.00 -2.27 0.00 0.00 64.05 58.83 3i1t n THR 158 Cb 0.00 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.70 3i1t n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1t s ALA 159 N -3.35 3.64 0.42 6.98 0.00 -1.26 -4.68 121.76 123.52 3i1t s ALA 159 Ca 0.52 0.12 0.14 0.00 0.00 0.00 0.00 51.96 52.74 3i1t s ALA 159 Cb 0.45 -3.58 1.01 0.00 0.00 0.00 0.00 23.12 21.00 3i1t s ALA 159 CO 0.04 -1.15 1.95 1.57 0.00 0.00 0.00 175.76 178.17 3i1t h LYS 160 N 7.60 0.43 -4.07 0.00 5.09 -1.94 -3.35 116.57 120.33 3i1t h LYS 160 Ca -0.19 -0.03 -0.16 0.00 0.09 0.00 0.00 60.65 60.36 3i1t h LYS 160 Cb 1.06 -0.10 -0.19 0.00 0.10 0.00 0.00 32.23 33.10 3i1t h LYS 160 CO 0.99 0.29 -0.70 0.45 -2.09 0.00 0.00 179.45 178.39 3i1t s SER 161 N -6.11 0.33 0.12 7.07 0.15 -1.25 -4.74 113.70 109.27 3i1t s SER 161 Ca -0.08 -0.64 0.23 0.00 0.70 0.00 0.00 55.95 56.16 3i1t s SER 161 Cb 0.20 0.13 0.91 0.00 -1.71 0.00 0.00 66.02 65.55 3i1t s SER 161 CO 0.76 -0.38 1.72 0.47 1.20 0.00 0.00 173.24 177.00 3i1t n ASP 162 N 1.18 0.37 -0.25 5.45 8.00 -1.11 -1.74 116.55 128.45 3i1t n ASP 162 Ca -0.21 0.56 0.26 0.00 0.71 0.00 0.00 54.79 56.11 3i1t n ASP 162 Cb 0.57 -0.65 0.62 0.00 -0.02 0.00 0.00 41.12 41.64 3i1t n ASP 162 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3i1t h GLU 163 N 0.00 0.19 -0.01 -1.24 4.81 -1.95 0.57 114.58 116.95 3i1t h GLU 163 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3i1t h GLU 163 Cb 0.46 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3i1t h GLU 163 CO 0.00 0.12 -0.53 0.39 -0.73 0.00 0.00 179.01 178.27 3i1t n GLU 164 N -4.40 1.13 -0.26 1.92 4.71 -0.71 -4.25 120.64 118.78 3i1t n GLU 164 Ca 0.21 -0.86 0.16 0.00 -0.01 0.00 0.00 57.16 56.67 3i1t n GLU 164 Cb 0.91 -1.46 0.45 0.00 -1.01 0.00 0.00 31.44 30.34 3i1t n GLU 164 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3i1t h GLY 165 N 4.72 1.07 2.00 0.62 0.00 -0.88 0.28 103.07 110.87 3i1t h GLY 165 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3i1t h GLY 165 CO 0.00 0.01 0.00 -0.96 0.00 0.00 0.00 176.54 175.59 3i1t n ARG 166 N -4.55 0.20 0.06 4.80 1.85 -1.25 -2.23 116.66 115.53 3i1t n ARG 166 Ca 0.19 0.35 -0.16 0.00 -1.00 0.00 0.00 57.85 57.23 3i1t n ARG 166 Cb 0.62 -1.83 -0.14 0.00 -1.05 0.00 0.00 32.46 30.06 3i1t n ARG 166 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3i1t h ALA 167 N 2.36 0.28 0.00 2.89 0.00 -0.73 -2.29 119.26 121.78 3i1t h ALA 167 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 54.91 53.79 3i1t h ALA 167 Cb 0.46 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i1t h ALA 167 CO 0.00 1.15 -0.13 -0.07 0.00 0.00 0.00 179.25 180.20 3i1t h LEU 168 N 0.06 0.00 -3.06 0.00 4.07 -1.04 -0.90 115.31 114.45 3i1t h LEU 168 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.74 3i1t h LEU 168 Cb 2.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.74 3i1t h LEU 168 CO 0.16 0.13 0.00 0.18 -1.08 0.00 0.00 178.44 177.83 3i1t n LEU 169 N -3.33 4.59 0.02 1.67 4.32 -0.95 -3.62 117.00 119.70 3i1t n LEU 169 Ca -0.00 -2.35 0.11 0.00 -0.02 0.00 0.00 56.01 53.75 3i1t n LEU 169 Cb 0.34 -0.56 -0.09 0.00 -1.62 0.00 0.00 43.42 41.49 3i1t n LEU 169 CO 0.30 0.85 -0.35 0.00 -1.22 0.00 0.00 177.39 176.97 3i1t n ALA 170 N 1.24 3.20 0.03 -1.18 0.00 -0.35 -3.07 120.51 120.37 3i1t n ALA 170 Ca 0.26 -0.46 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 3i1t n ALA 170 Cb 0.83 -0.86 0.07 0.00 0.00 0.00 0.00 19.45 19.49 3i1t n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1t h ALA 171 N 2.28 0.72 -3.47 0.00 0.00 -1.60 -3.41 119.26 113.78 3i1t h ALA 171 Ca 0.00 -0.53 -0.57 0.00 0.00 0.00 0.00 54.91 53.81 3i1t h ALA 171 Cb 0.86 -0.08 -0.39 0.00 0.00 0.00 0.00 17.79 18.18 3i1t h ALA 171 CO 0.00 0.70 -0.77 -0.06 0.00 0.00 0.00 179.25 179.12 3i1t s PHE 172 N -3.90 1.85 -0.38 0.00 0.08 -1.25 -4.89 117.98 109.48 3i1t s PHE 172 Ca -0.06 -1.43 -0.40 0.00 0.12 0.00 0.00 56.93 55.16 3i1t s PHE 172 Cb 0.11 -1.40 -0.15 0.00 -0.57 0.00 0.00 43.02 41.01 3i1t s PHE 172 CO 0.83 -0.72 2.02 -3.47 -0.10 0.00 0.00 175.22 173.78 3i1t n ASP 173 N 4.82 1.75 -4.80 1.36 2.03 -1.25 -4.66 116.55 115.81 3i1t n ASP 173 Ca -0.10 0.72 -0.36 0.00 0.52 0.00 0.00 54.79 55.57 3i1t n ASP 173 Cb 0.45 -1.10 -0.07 0.00 -0.72 0.00 0.00 41.12 39.67 3i1t n ASP 173 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3i1t s PHE 174 N 5.66 3.43 0.00 -0.67 5.36 -1.18 -4.98 117.98 125.62 3i1t s PHE 174 Ca 1.09 0.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 3i1t s PHE 174 Cb -1.14 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.63 3i1t s PHE 174 CO 0.60 0.60 0.95 -0.35 -1.46 0.00 0.00 175.22 175.57 3i1t n PRO 175 N 2.19 0.00 0.00 10.12 -0.04 -1.26 -4.83 135.00 141.18 3i1t n PRO 175 Ca -0.19 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 3i1t n PRO 175 Cb 0.54 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 3i1t n PRO 175 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3i1t n PHE 176 N -2.36 0.00 -3.65 0.54 0.99 -1.26 -4.77 117.46 106.95 3i1t n PHE 176 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i1t n PHE 176 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.41 3i1t n PHE 176 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3i1t s ARG 177 N 0.00 0.00 0.00 -1.08 3.00 -1.26 -1.75 118.95 117.87 3i1t s ARG 177 Ca 0.00 0.00 0.04 0.00 -1.00 0.00 0.00 55.73 54.77 3i1t s ARG 177 Cb 0.00 0.00 0.23 0.00 0.00 0.00 0.00 34.95 35.18 3i1t s ARG 177 CO 0.00 -0.00 0.71 1.17 0.00 0.00 0.00 175.30 177.18