#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n LYS 2 N 0.00 0.19 -0.29 0.00 4.01 -1.26 -2.59 118.16 118.22 3i1p n LYS 2 Ca 0.00 0.13 0.03 0.00 -0.51 0.00 0.00 58.31 57.96 3i1p n LYS 2 Cb 0.00 -1.50 0.14 0.00 -0.51 0.00 0.00 35.03 33.16 3i1p n LYS 2 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3i1p n LEU 3 N -1.35 2.49 -0.04 -0.35 7.99 -1.26 -4.15 117.00 120.33 3i1p n LEU 3 Ca 0.08 -1.26 -0.14 0.00 -0.01 0.00 0.00 56.01 54.68 3i1p n LEU 3 Cb 0.17 -0.52 -0.12 0.00 -0.11 0.00 0.00 43.42 42.84 3i1p n LEU 3 CO 0.15 0.37 0.50 -0.74 -1.51 0.00 0.00 177.39 176.17 3i1p h HIS 4 N 1.38 0.00 0.00 -1.77 2.76 -1.87 -3.05 115.15 112.60 3i1p h HIS 4 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3i1p h HIS 4 Cb 0.93 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.89 3i1p h HIS 4 CO 0.35 0.77 0.00 -0.25 -1.30 0.00 0.00 177.93 177.50 3i1p n ASP 5 N -4.72 0.00 0.00 3.26 10.43 -1.26 -2.59 116.55 121.68 3i1p n ASP 5 Ca -0.09 -1.30 0.05 0.00 2.57 0.00 0.00 54.79 56.01 3i1p n ASP 5 Cb 0.38 0.00 0.29 0.00 1.84 0.00 0.00 41.12 43.62 3i1p n ASP 5 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1p n TYR 6 N -0.76 0.00 -1.21 1.24 9.36 -1.15 -2.91 117.16 121.73 3i1p n TYR 6 Ca 0.11 0.00 -0.28 0.00 3.32 0.00 0.00 57.90 61.05 3i1p n TYR 6 Cb 0.05 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 38.89 3i1p n TYR 6 CO 0.00 0.00 0.00 0.98 0.22 0.00 0.00 176.86 178.06 3i1p n TYR 7 N -0.87 3.03 -2.66 2.98 9.36 -1.07 -4.30 117.16 123.63 3i1p n TYR 7 Ca 0.07 -2.33 -0.03 0.00 3.32 0.00 0.00 57.90 58.93 3i1p n TYR 7 Cb 0.03 -1.15 0.02 0.00 -0.63 0.00 0.00 39.34 37.62 3i1p n TYR 7 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 3i1p n LYS 8 N -0.97 0.16 0.00 2.98 5.02 -1.14 -4.44 118.16 119.77 3i1p n LYS 8 Ca 0.59 -0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3i1p n LYS 8 Cb 1.19 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 36.15 3i1p n LYS 8 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3i1p n ASP 9 N -0.22 1.42 0.00 4.39 10.43 -1.26 -4.73 116.55 126.59 3i1p n ASP 9 Ca -0.21 -1.60 0.00 0.00 2.57 0.00 0.00 54.79 55.54 3i1p n ASP 9 Cb 0.68 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.64 3i1p n ASP 9 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3i1p n GLU 10 N -0.30 0.00 -2.87 -1.24 0.28 -1.26 -5.14 120.64 110.10 3i1p n GLU 10 Ca 0.00 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 3i1p n GLU 10 Cb 0.23 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.11 3i1p n GLU 10 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3i1p s VAL 11 N 0.00 4.06 0.00 3.84 1.01 -1.26 -4.15 120.40 123.90 3i1p s VAL 11 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.63 3i1p s VAL 11 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3i1p s VAL 11 CO 0.00 -0.41 0.00 0.52 0.00 0.00 0.00 175.10 175.21 3i1p n VAL 12 N -2.17 0.00 0.05 2.92 0.31 -1.26 -4.36 118.33 113.81 3i1p n VAL 12 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 3i1p n VAL 12 Cb 0.57 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.37 3i1p n VAL 12 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3i1p h LYS 13 N 0.98 0.08 -0.74 5.55 6.56 -1.96 0.40 116.57 127.44 3i1p h LYS 13 Ca 0.00 -0.14 -0.09 0.00 -1.06 0.00 0.00 60.65 59.36 3i1p h LYS 13 Cb 0.00 0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.66 3i1p h LYS 13 CO 0.00 0.95 0.11 1.63 -2.06 0.00 0.00 179.45 180.08 3i1p n LYS 14 N -3.33 3.61 0.00 3.15 4.76 -1.26 -2.70 118.16 122.38 3i1p n LYS 14 Ca -0.08 -2.44 0.00 0.00 -2.87 0.00 0.00 58.31 52.93 3i1p n LYS 14 Cb 0.99 -2.06 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3i1p n LYS 14 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i1p n LEU 15 N 0.21 0.00 0.00 -0.35 4.77 -1.16 -4.74 117.00 115.73 3i1p n LEU 15 Ca 0.27 -0.05 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 3i1p n LEU 15 Cb 1.08 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3i1p n LEU 15 CO 0.30 0.00 -0.10 0.23 -1.33 0.00 0.00 177.39 176.50 3i1p n MET 16 N -0.24 0.07 -0.60 3.23 2.81 0.14 -4.58 117.12 117.95 3i1p n MET 16 Ca 0.00 0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.83 3i1p n MET 16 Cb 0.00 -0.44 0.12 0.00 -0.71 0.00 0.00 33.22 32.19 3i1p n MET 16 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3i1p n THR 17 N -3.06 1.98 -0.12 2.03 -2.24 -1.10 -0.83 114.28 110.95 3i1p n THR 17 Ca -0.02 -0.93 -0.24 0.00 -2.27 0.00 0.00 64.05 60.59 3i1p n THR 17 Cb 0.07 -0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 67.55 3i1p n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i1p n GLU 18 N -0.20 0.57 -2.82 -0.78 2.13 -1.16 -4.82 120.64 113.56 3i1p n GLU 18 Ca 0.27 0.42 -0.11 0.00 0.66 0.00 0.00 57.16 58.40 3i1p n GLU 18 Cb 1.03 -1.62 0.03 0.00 0.27 0.00 0.00 31.44 31.15 3i1p n GLU 18 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3i1p n PHE 19 N -4.36 -0.09 -2.71 4.31 7.35 -1.26 -5.01 117.46 115.68 3i1p n PHE 19 Ca -0.40 -2.87 -0.10 0.00 -0.76 0.00 0.00 57.45 53.31 3i1p n PHE 19 Cb 0.75 0.12 0.05 0.00 0.35 0.00 0.00 39.48 40.75 3i1p n PHE 19 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3i1p n ASN 20 N -0.01 -5.29 -4.00 -2.13 5.15 -1.25 -5.04 115.26 102.68 3i1p n ASN 20 Ca 0.11 -0.47 -0.31 0.00 -0.60 0.00 0.00 54.58 53.31 3i1p n ASN 20 Cb 0.77 -3.80 -0.16 0.00 -0.53 0.00 0.00 39.78 36.06 3i1p n ASN 20 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3i1p s TYR 21 N -3.26 2.62 -0.07 1.20 2.02 -0.01 -4.99 117.35 114.87 3i1p s TYR 21 Ca 0.30 -1.81 0.04 0.00 -0.37 0.00 0.00 57.07 55.24 3i1p s TYR 21 Cb -0.04 -1.70 -0.07 0.00 -0.40 0.00 0.00 41.96 39.75 3i1p s TYR 21 CO 0.52 -0.79 -0.00 0.09 -1.57 0.00 0.00 175.55 173.80 3i1p n ASN 22 N 4.62 3.46 -4.75 2.29 3.02 -1.26 -4.25 115.26 118.39 3i1p n ASN 22 Ca -0.14 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 53.99 3i1p n ASN 22 Cb 0.45 0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 40.06 3i1p n ASN 22 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3i1p s SER 23 N -4.00 6.86 0.60 6.41 0.15 -1.26 -4.90 113.70 117.55 3i1p s SER 23 Ca -0.05 2.53 0.31 0.00 0.70 0.00 0.00 55.95 59.45 3i1p s SER 23 Cb 0.02 -2.63 1.87 0.00 -1.71 0.00 0.00 66.02 63.57 3i1p s SER 23 CO 0.24 -0.51 2.25 0.58 1.20 0.00 0.00 173.24 177.00 3i1p h VAL 24 N 3.37 0.47 0.00 4.45 2.07 -1.99 -2.56 116.25 122.06 3i1p h VAL 24 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3i1p h VAL 24 Cb 1.22 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3i1p h VAL 24 CO 0.72 0.00 -0.98 0.23 0.02 0.00 0.00 177.57 177.56 3i1p n MET 25 N -3.76 1.77 0.00 1.57 2.81 -1.26 -4.22 117.12 114.03 3i1p n MET 25 Ca -0.03 -0.04 0.03 0.00 -1.81 0.00 0.00 57.70 55.86 3i1p n MET 25 Cb 0.11 -1.22 0.15 0.00 -0.71 0.00 0.00 33.22 31.55 3i1p n MET 25 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3i1p n GLN 26 N -1.54 0.01 -2.53 0.03 7.27 -0.96 -4.34 117.38 115.32 3i1p n GLN 26 Ca 0.01 0.36 -0.43 0.00 0.07 0.00 0.00 57.00 57.01 3i1p n GLN 26 Cb 0.27 -1.50 -0.02 0.00 2.41 0.00 0.00 30.24 31.40 3i1p n GLN 26 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3i1p s VAL 27 N -2.96 4.22 -0.11 1.69 -7.23 -1.25 -4.96 120.40 109.80 3i1p s VAL 27 Ca 0.04 1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 61.22 3i1p s VAL 27 Cb 0.05 -4.39 -0.08 0.00 0.56 0.00 0.00 36.38 32.51 3i1p s VAL 27 CO 0.13 -0.72 2.08 -2.65 -0.31 0.00 0.00 175.10 173.62 3i1p n PRO 28 N 7.52 2.30 -3.10 4.82 -0.02 -1.26 -4.92 135.00 140.34 3i1p n PRO 28 Ca 0.13 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.95 3i1p n PRO 28 Cb 0.48 -3.01 -0.06 0.00 -0.02 0.00 0.00 33.50 30.88 3i1p n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i1p s ARG 29 N 5.27 3.20 0.28 -0.52 0.52 -1.26 -4.84 118.95 121.60 3i1p s ARG 29 Ca 0.96 -0.64 -0.29 0.00 -0.52 0.00 0.00 55.73 55.24 3i1p s ARG 29 Cb -0.46 -4.05 -0.14 0.00 0.52 0.00 0.00 34.95 30.82 3i1p s ARG 29 CO 0.41 -1.20 1.10 1.33 0.02 0.00 0.00 175.30 176.97 3i1p n VAL 30 N 5.77 1.76 0.00 3.52 0.24 -1.26 -4.16 118.33 124.20 3i1p n VAL 30 Ca -0.04 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 3i1p n VAL 30 Cb 0.46 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 3i1p n VAL 30 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i1p n GLU 31 N 0.95 0.00 -0.51 7.34 4.07 -1.25 -5.02 120.64 126.22 3i1p n GLU 31 Ca 0.10 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.13 3i1p n GLU 31 Cb 0.31 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.62 3i1p n GLU 31 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3i1p n LYS 32 N 0.00 0.00 -3.57 5.31 4.81 -1.20 -4.74 118.16 118.77 3i1p n LYS 32 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.07 3i1p n LYS 32 Cb 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 35.03 34.64 3i1p n LYS 32 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3i1p s ILE 33 N 0.00 5.10 0.00 3.15 1.01 -1.23 -3.39 121.20 125.85 3i1p s ILE 33 Ca 0.42 0.68 -0.00 0.00 0.00 0.00 0.00 60.65 61.75 3i1p s ILE 33 Cb -0.27 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 3i1p s ILE 33 CO 0.18 0.53 -0.00 0.41 0.00 0.00 0.00 174.94 176.06 3i1p n THR 34 N 1.66 0.07 -2.18 2.92 -1.04 -1.23 0.90 114.28 115.38 3i1p n THR 34 Ca -0.14 0.10 0.05 0.00 -2.04 0.00 0.00 64.05 62.02 3i1p n THR 34 Cb 0.53 -1.12 -0.01 0.00 -1.82 0.00 0.00 70.33 67.90 3i1p n THR 34 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i1p n LEU 35 N -2.56 0.00 0.00 -4.42 4.32 -1.23 -3.90 117.00 109.21 3i1p n LEU 35 Ca -0.00 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3i1p n LEU 35 Cb 0.00 -1.03 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 3i1p n LEU 35 CO 0.00 -0.92 0.00 -3.20 -1.22 0.00 0.00 177.39 172.05 3i1p n ASN 36 N -1.59 0.00 -0.01 -1.43 5.15 -1.22 -4.02 115.26 112.15 3i1p n ASN 36 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3i1p n ASN 36 Cb 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 3i1p n ASN 36 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 3i1p n MET 37 N 0.00 0.00 -2.67 1.20 0.00 -1.25 -3.79 117.12 110.60 3i1p n MET 37 Ca 0.00 0.01 -0.28 0.00 -0.00 0.00 0.00 57.70 57.43 3i1p n MET 37 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.21 3i1p n MET 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3i1p s GLY 38 N -0.03 1.60 -0.13 -5.12 0.00 -1.26 -3.88 107.32 98.50 3i1p s GLY 38 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 44.72 44.19 3i1p s GLY 38 CO 0.00 -0.26 -0.21 -0.62 0.00 0.00 0.00 173.10 172.01 3i1p n VAL 39 N -2.05 1.07 0.00 1.40 0.31 -0.97 -4.85 118.33 113.24 3i1p n VAL 39 Ca 0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3i1p n VAL 39 Cb 0.55 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 3i1p n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1p n GLY 40 N 2.08 2.81 0.00 2.92 0.00 -1.26 -3.53 105.19 108.21 3i1p n GLY 40 Ca -0.24 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3i1p n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i1p n GLU 41 N 14.00 0.00 0.00 1.61 0.00 -1.26 -4.10 120.64 130.89 3i1p n GLU 41 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 57.16 57.79 3i1p n GLU 41 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 31.44 30.34 3i1p n GLU 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1p n ALA 42 N -1.62 0.00 -0.16 -1.84 0.00 -1.23 -4.60 120.51 111.06 3i1p n ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 42 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1p n ALA 42 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 3i1p n ILE 43 N 0.00 0.00 -0.15 0.00 0.13 -1.26 -2.69 119.36 115.40 3i1p n ILE 43 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 62.75 61.61 3i1p n ILE 43 Cb 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 39.64 38.82 3i1p n ILE 43 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i1p h ALA 44 N -0.16 0.15 0.00 1.51 0.00 -1.98 -3.33 119.26 115.45 3i1p h ALA 44 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i1p h ALA 44 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i1p h ALA 44 CO 0.00 -0.55 -0.13 0.22 0.00 0.00 0.00 179.25 178.79 3i1p h ASP 45 N -0.10 0.00 0.00 0.00 -0.00 -1.89 -3.47 116.42 110.96 3i1p h ASP 45 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 3i1p h ASP 45 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 3i1p h ASP 45 CO -0.54 0.24 0.00 1.17 -0.00 0.00 0.00 179.24 180.11 3i1p n LYS 46 N -3.05 0.00 0.00 0.28 0.00 -1.25 -4.68 118.16 109.45 3i1p n LYS 46 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.31 3i1p n LYS 46 Cb 0.07 -2.17 0.09 0.00 0.00 0.00 0.00 35.03 33.02 3i1p n LYS 46 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3i1p n LYS 47 N -1.04 0.07 0.03 1.64 4.01 -1.26 0.14 118.16 121.76 3i1p n LYS 47 Ca 0.00 0.16 -0.09 0.00 -0.51 0.00 0.00 58.31 57.87 3i1p n LYS 47 Cb 0.00 -1.50 -0.07 0.00 -0.51 0.00 0.00 35.03 32.95 3i1p n LYS 47 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 3i1p h LEU 48 N 0.00 -0.16 0.00 -0.35 -0.00 -1.98 -3.21 115.31 109.61 3i1p h LEU 48 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 3i1p h LEU 48 Cb 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 3i1p h LEU 48 CO 0.00 0.43 -0.45 0.18 -0.00 0.00 0.00 178.44 178.60 3i1p n LEU 49 N -4.88 0.51 0.20 0.17 7.99 -0.19 -0.32 117.00 120.48 3i1p n LEU 49 Ca -0.07 0.18 0.06 0.00 -0.01 0.00 0.00 56.01 56.17 3i1p n LEU 49 Cb 0.24 -0.26 0.39 0.00 -0.11 0.00 0.00 43.42 43.67 3i1p n LEU 49 CO 0.21 0.03 0.72 -0.78 -1.51 0.00 0.00 177.39 176.06 3i1p h ASP 50 N 0.00 0.00 -0.00 -1.43 -0.00 0.11 0.17 116.42 115.27 3i1p h ASP 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3i1p h ASP 50 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.93 3i1p h ASP 50 CO 0.00 0.34 -0.19 0.59 -0.00 0.00 0.00 179.24 179.98 3i1p n ASN 51 N -3.59 0.51 -0.01 2.28 4.13 -1.21 -4.44 115.26 112.94 3i1p n ASN 51 Ca -0.01 -0.76 -0.06 0.00 1.68 0.00 0.00 54.58 55.44 3i1p n ASN 51 Cb 0.47 0.78 -0.12 0.00 -1.54 0.00 0.00 39.78 39.37 3i1p n ASN 51 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1p n ALA 52 N -0.81 1.63 0.29 5.41 0.00 0.56 -2.18 120.51 125.41 3i1p n ALA 52 Ca 0.02 -0.70 0.18 0.00 0.00 0.00 0.00 53.44 52.93 3i1p n ALA 52 Cb 0.10 -0.87 0.80 0.00 0.00 0.00 0.00 19.45 19.47 3i1p n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 53 N 1.13 1.03 0.00 0.00 0.00 -0.90 0.41 119.26 120.93 3i1p h ALA 53 Ca -0.25 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3i1p h ALA 53 Cb 1.88 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 3i1p h ALA 53 CO 0.07 0.03 -0.81 0.00 0.00 0.00 0.00 179.25 178.54 3i1p h ALA 54 N 1.97 0.60 0.00 0.00 0.00 -1.76 -2.99 119.26 117.08 3i1p h ALA 54 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3i1p h ALA 54 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3i1p h ALA 54 CO 0.00 0.86 0.00 -0.25 0.00 0.00 0.00 179.25 179.86 3i1p n ASP 55 N -3.20 0.18 0.04 0.00 9.92 0.51 -2.50 116.55 121.51 3i1p n ASP 55 Ca -0.01 0.52 -0.07 0.00 -0.53 0.00 0.00 54.79 54.71 3i1p n ASP 55 Cb 0.81 -0.57 -0.12 0.00 -0.64 0.00 0.00 41.12 40.60 3i1p n ASP 55 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3i1p h LEU 56 N 0.00 0.00 -0.50 0.64 7.12 -0.21 -3.24 115.31 119.12 3i1p h LEU 56 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3i1p h LEU 56 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 3i1p h LEU 56 CO 0.00 0.97 0.00 0.00 -0.13 0.00 0.00 178.44 179.28 3i1p h ALA 57 N 1.03 1.00 -0.13 1.25 0.00 -1.37 0.26 119.26 121.30 3i1p h ALA 57 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3i1p h ALA 57 Cb 1.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3i1p h ALA 57 CO 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 179.25 178.92 3i1p h ALA 58 N 2.29 1.02 -0.02 0.00 0.00 -1.56 -2.32 119.26 118.67 3i1p h ALA 58 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3i1p h ALA 58 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i1p h ALA 58 CO 0.00 0.62 -0.27 -0.89 0.00 0.00 0.00 179.25 178.71 3i1p n ILE 59 N -4.00 0.00 -3.79 0.00 5.41 -0.97 -4.75 119.36 111.25 3i1p n ILE 59 Ca -0.02 -0.37 -0.30 0.00 1.00 0.00 0.00 62.75 63.07 3i1p n ILE 59 Cb 0.51 1.36 -0.14 0.00 -0.71 0.00 0.00 39.64 40.65 3i1p n ILE 59 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3i1p s SER 60 N -2.25 4.09 0.00 4.38 0.15 0.87 -4.97 113.70 115.97 3i1p s SER 60 Ca 0.22 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 54.81 3i1p s SER 60 Cb 0.19 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 3i1p s SER 60 CO 0.45 -0.36 0.72 0.61 1.20 0.00 0.00 173.24 175.86 3i1p n GLY 61 N 4.31 1.22 0.00 9.45 0.00 -1.22 -4.23 105.19 114.72 3i1p n GLY 61 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i1p n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1p n GLN 62 N 1.22 3.79 -3.91 1.61 1.13 -1.26 -5.10 117.38 114.85 3i1p n GLN 62 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 3i1p n GLN 62 Cb 0.25 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.47 3i1p n GLN 62 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3i1p s LYS 63 N 1.67 2.12 0.07 -1.09 2.36 -1.26 -4.95 119.74 118.66 3i1p s LYS 63 Ca 0.00 -2.87 -0.34 0.00 -2.55 0.00 0.00 55.97 50.21 3i1p s LYS 63 Cb 0.00 -3.27 -0.13 0.00 -1.05 0.00 0.00 37.83 33.37 3i1p s LYS 63 CO 0.00 -1.19 1.68 -2.30 1.55 0.00 0.00 175.35 175.09 3i1p n PRO 64 N 2.67 2.13 0.00 4.03 -0.02 -1.26 -4.90 135.00 137.65 3i1p n PRO 64 Ca 0.11 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3i1p n PRO 64 Cb 0.34 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3i1p n PRO 64 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3i1p n LEU 65 N 4.52 0.00 -0.01 2.45 -0.00 -1.26 -5.03 117.00 117.67 3i1p n LEU 65 Ca 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.20 3i1p n LEU 65 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.69 3i1p n LEU 65 CO 0.67 0.00 -0.55 0.00 -0.00 0.00 0.00 177.39 177.51 3i1p n ILE 66 N 0.00 0.10 -2.86 1.47 0.13 -1.25 -4.53 119.36 112.42 3i1p n ILE 66 Ca 0.00 -0.07 -0.03 0.00 -1.10 0.00 0.00 62.75 61.55 3i1p n ILE 66 Cb 0.00 -0.62 -0.02 0.00 -0.84 0.00 0.00 39.64 38.16 3i1p n ILE 66 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3i1p n THR 67 N -1.95 -7.07 -0.31 9.51 -2.24 -1.24 -3.12 114.28 107.85 3i1p n THR 67 Ca -0.02 1.39 -0.17 0.00 -2.27 0.00 0.00 64.05 62.98 3i1p n THR 67 Cb 0.44 -4.62 0.16 0.00 -2.10 0.00 0.00 70.33 64.21 3i1p n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i1p n LYS 68 N 1.97 -3.22 0.00 -0.78 4.01 -1.26 -1.06 118.16 117.82 3i1p n LYS 68 Ca -0.19 -0.85 0.00 0.00 -0.51 0.00 0.00 58.31 56.76 3i1p n LYS 68 Cb 0.33 -1.01 0.00 0.00 -0.51 0.00 0.00 35.03 33.84 3i1p n LYS 68 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1p n ALA 69 N -4.43 0.00 0.10 7.82 0.00 -1.13 -4.22 120.51 118.66 3i1p n ALA 69 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i1p n ALA 69 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3i1p n ALA 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1p n ARG 70 N 0.00 0.00 0.10 0.00 0.63 -1.26 -5.05 116.66 111.08 3i1p n ARG 70 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 3i1p n ARG 70 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 3i1p n ARG 70 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3i1p h LYS 71 N 0.00 -0.25 -1.01 -0.14 1.63 -1.93 -3.47 116.57 111.40 3i1p h LYS 71 Ca 0.00 0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 59.59 3i1p h LYS 71 Cb 0.00 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.64 3i1p h LYS 71 CO 0.00 -0.17 -0.24 0.45 -3.45 0.00 0.00 179.45 176.04 3i1p n SER 72 N -2.96 -3.98 0.00 4.20 2.88 -1.24 -4.85 113.62 107.67 3i1p n SER 72 Ca -0.03 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 3i1p n SER 72 Cb 0.10 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 3i1p n SER 72 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3i1p n VAL 73 N -3.30 0.26 -3.24 2.46 0.31 -1.26 -4.77 118.33 108.80 3i1p n VAL 73 Ca -0.12 -0.46 -0.39 0.00 -0.01 0.00 0.00 64.34 63.37 3i1p n VAL 73 Cb 0.47 1.07 -0.06 0.00 -0.91 0.00 0.00 33.84 34.42 3i1p n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1p s ALA 74 N -0.26 3.56 -1.47 3.52 0.00 -1.26 -4.96 121.76 120.89 3i1p s ALA 74 Ca 0.00 0.05 0.30 0.00 0.00 0.00 0.00 51.96 52.31 3i1p s ALA 74 Cb 0.00 -2.68 1.39 0.00 0.00 0.00 0.00 23.12 21.83 3i1p s ALA 74 CO 0.00 0.35 1.97 0.41 0.00 0.00 0.00 175.76 178.49 3i1p n GLY 75 N 1.85 -1.18 0.00 0.00 0.00 -1.26 -3.90 105.19 100.70 3i1p n GLY 75 Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3i1p n GLY 75 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1p n PHE 76 N -1.19 0.00 -1.50 1.61 0.99 -1.26 -4.84 117.46 111.27 3i1p n PHE 76 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 3i1p n PHE 76 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.74 3i1p n PHE 76 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 3i1p n LYS 77 N -0.46 0.00 -1.69 -1.08 3.00 -1.26 -5.13 118.16 111.54 3i1p n LYS 77 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.86 3i1p n LYS 77 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 3i1p n LYS 77 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3i1p n ILE 78 N 0.00 0.25 -3.74 3.15 5.41 -1.25 -5.00 119.36 118.17 3i1p n ILE 78 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.69 3i1p n ILE 78 Cb 0.13 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 3i1p n ILE 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3i1p n ARG 79 N 3.19 0.33 -0.04 0.38 1.74 -1.26 -4.18 116.66 116.82 3i1p n ARG 79 Ca 0.15 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.10 3i1p n ARG 79 Cb 0.31 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.67 3i1p n ARG 79 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3i1p h GLN 80 N 0.00 0.24 0.00 5.56 5.75 -1.88 -3.29 115.11 121.48 3i1p h GLN 80 Ca 0.00 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3i1p h GLN 80 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3i1p h GLN 80 CO 0.00 0.65 0.00 0.41 -2.65 0.00 0.00 178.83 177.24 3i1p n GLY 81 N 0.20 -1.44 2.63 2.39 0.00 -1.26 -3.75 105.19 103.96 3i1p n GLY 81 Ca -0.07 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 3i1p n GLY 81 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3i1p n TYR 82 N 0.00 -4.34 -0.05 1.61 4.19 -1.26 -3.52 117.16 113.80 3i1p n TYR 82 Ca 0.00 2.51 -0.03 0.00 3.31 0.00 0.00 57.90 63.68 3i1p n TYR 82 Cb 0.00 -3.83 0.03 0.00 0.49 0.00 0.00 39.34 36.03 3i1p n TYR 82 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3i1p n PRO 83 N 1.73 -1.48 0.00 2.98 -0.04 -1.26 -2.83 135.00 134.10 3i1p n PRO 83 Ca -0.40 -0.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 3i1p n PRO 83 Cb 0.62 -0.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 3i1p n PRO 83 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i1p n ILE 84 N -3.13 0.00 0.00 0.52 0.13 -0.22 -4.56 119.36 112.10 3i1p n ILE 84 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.67 3i1p n ILE 84 Cb 0.07 0.24 0.00 0.00 -0.84 0.00 0.00 39.64 39.11 3i1p n ILE 84 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3i1p n GLY 85 N 0.00 -0.44 2.80 4.50 0.00 -1.18 -2.29 105.19 108.58 3i1p n GLY 85 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.81 3i1p n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p n LYS 87 N 3.82 0.00 -1.87 0.00 2.85 -1.26 -3.67 118.16 118.04 3i1p n LYS 87 Ca 0.06 0.51 -0.00 0.00 -1.05 0.00 0.00 58.31 57.83 3i1p n LYS 87 Cb 0.63 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.70 3i1p n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 3i1p n VAL 88 N -1.77 -3.14 -1.67 0.58 0.31 -1.25 -3.37 118.33 108.02 3i1p n VAL 88 Ca 0.00 -0.08 -0.49 0.00 -0.01 0.00 0.00 64.34 63.77 3i1p n VAL 88 Cb 0.00 -4.27 -0.05 0.00 -0.91 0.00 0.00 33.84 28.61 3i1p n VAL 88 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3i1p n THR 89 N -1.23 0.23 -3.31 2.52 -1.04 -1.26 -4.66 114.28 105.53 3i1p n THR 89 Ca -0.00 -0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 61.59 3i1p n THR 89 Cb 0.50 -1.51 -0.06 0.00 -1.82 0.00 0.00 70.33 67.44 3i1p n THR 89 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3i1p s LEU 90 N 2.18 4.47 -0.29 -4.42 2.01 0.26 -4.99 118.68 117.90 3i1p s LEU 90 Ca 0.86 1.20 -0.16 0.00 0.01 0.00 0.00 54.13 56.04 3i1p s LEU 90 Cb -0.77 -2.99 0.17 0.00 0.01 0.00 0.00 46.19 42.60 3i1p s LEU 90 CO 0.47 0.23 1.07 -0.60 1.01 0.00 0.00 176.35 178.52 3i1p s ARG 91 N -1.36 0.27 1.93 1.70 3.52 -1.26 -3.55 118.95 120.19 3i1p s ARG 91 Ca 0.31 0.47 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 3i1p s ARG 91 Cb -0.18 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 3i1p s ARG 91 CO 0.19 -0.06 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 3i1p n GLY 92 N 3.51 -0.09 0.07 8.12 0.00 -1.26 -4.51 105.19 111.03 3i1p n GLY 92 Ca -0.18 -1.36 -0.02 0.00 0.00 0.00 0.00 46.02 44.45 3i1p n GLY 92 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i1p h GLU 93 N 0.00 -0.10 -2.98 1.61 4.39 -2.01 -2.77 114.58 112.72 3i1p h GLU 93 Ca 0.00 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3i1p h GLU 93 Cb 0.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3i1p h GLU 93 CO 0.00 -0.07 0.63 0.54 -1.16 0.00 0.00 179.01 178.95 3i1p n ARG 94 N -2.90 0.65 0.13 2.33 3.00 -1.26 -2.96 116.66 115.65 3i1p n ARG 94 Ca -0.01 -0.43 0.00 0.00 -0.01 0.00 0.00 57.85 57.39 3i1p n ARG 94 Cb 0.06 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 30.74 3i1p n ARG 94 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 3i1p n MET 95 N 3.30 0.00 -0.18 5.56 1.56 -1.06 -4.42 117.12 121.87 3i1p n MET 95 Ca 0.14 0.00 -0.04 0.00 -0.27 0.00 0.00 57.70 57.52 3i1p n MET 95 Cb 0.20 0.00 0.14 0.00 2.15 0.00 0.00 33.22 35.71 3i1p n MET 95 CO 0.00 0.00 0.00 -1.49 -0.73 0.00 0.00 175.97 173.75 3i1p h TRP 96 N 0.00 0.99 0.00 1.12 6.55 -1.41 0.14 115.95 123.34 3i1p h TRP 96 Ca 0.00 -0.10 0.00 0.00 0.95 0.00 0.00 58.89 59.74 3i1p h TRP 96 Cb 0.00 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.01 3i1p h TRP 96 CO 0.00 0.81 -0.58 -0.85 -1.05 0.00 0.00 178.44 176.77 3i1p n GLU 97 N -4.26 0.26 -0.05 0.49 0.00 -1.19 -2.97 120.64 112.93 3i1p n GLU 97 Ca 0.05 0.08 -0.11 0.00 0.00 0.00 0.00 57.16 57.18 3i1p n GLU 97 Cb 0.23 -1.67 0.03 0.00 0.00 0.00 0.00 31.44 30.03 3i1p n GLU 97 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 3i1p h PHE 98 N 0.00 0.88 0.00 -1.84 3.57 -1.51 -2.35 116.94 115.68 3i1p h PHE 98 Ca 0.00 -0.29 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3i1p h PHE 98 Cb 0.72 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3i1p h PHE 98 CO 0.00 1.05 0.00 0.34 -2.23 0.00 0.00 178.31 177.47 3i1p n PHE 99 N -4.01 0.00 1.75 0.41 7.35 0.39 -2.52 117.46 120.83 3i1p n PHE 99 Ca -0.03 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.75 3i1p n PHE 99 Cb 0.57 -0.39 0.51 0.00 0.35 0.00 0.00 39.48 40.52 3i1p n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 3i1p n GLU 100 N -1.39 0.88 -0.10 -4.13 2.13 -0.89 -2.61 120.64 114.53 3i1p n GLU 100 Ca 0.09 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.79 3i1p n GLU 100 Cb 0.25 -1.30 -0.14 0.00 0.27 0.00 0.00 31.44 30.52 3i1p n GLU 100 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3i1p n ARG 101 N -0.80 0.78 -2.59 5.31 1.74 -1.05 -4.64 116.66 115.41 3i1p n ARG 101 Ca 0.13 0.04 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 3i1p n ARG 101 Cb 0.06 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 3i1p n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i1p s LEU 102 N -5.75 4.45 -1.03 0.55 2.01 -1.07 -3.20 118.68 114.65 3i1p s LEU 102 Ca -0.17 1.93 -0.03 0.00 0.01 0.00 0.00 54.13 55.86 3i1p s LEU 102 Cb 0.07 -3.59 -0.04 0.00 0.01 0.00 0.00 46.19 42.64 3i1p s LEU 102 CO 0.72 -0.22 0.88 -0.38 1.01 0.00 0.00 176.35 178.35 3i1p n ILE 103 N 2.98 -7.39 0.00 -0.59 -0.00 -1.26 -4.93 119.36 108.17 3i1p n ILE 103 Ca 0.04 -0.94 0.00 0.00 -0.00 0.00 0.00 62.75 61.85 3i1p n ILE 103 Cb 0.48 -5.70 0.00 0.00 -0.00 0.00 0.00 39.64 34.42 3i1p n ILE 103 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3i1p n THR 104 N -3.42 0.00 0.15 1.39 -1.04 -1.24 -5.00 114.28 105.11 3i1p n THR 104 Ca -0.15 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.90 3i1p n THR 104 Cb 0.63 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.19 3i1p n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3i1p n ILE 105 N 0.00 0.32 0.47 12.58 5.41 -1.25 -4.37 119.36 132.52 3i1p n ILE 105 Ca 0.00 -0.66 0.05 0.00 1.00 0.00 0.00 62.75 63.14 3i1p n ILE 105 Cb 0.00 0.93 -0.05 0.00 -0.71 0.00 0.00 39.64 39.81 3i1p n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1p n ALA 106 N 0.28 3.26 0.35 -1.39 0.00 -1.19 -4.50 120.51 117.32 3i1p n ALA 106 Ca 0.05 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.28 3i1p n ALA 106 Cb 0.22 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 3i1p n ALA 106 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1p n VAL 107 N -1.11 0.00 -0.06 0.00 0.24 -1.26 -4.15 118.33 111.99 3i1p n VAL 107 Ca 0.02 -0.30 0.14 0.00 -2.04 0.00 0.00 64.34 62.16 3i1p n VAL 107 Cb 0.17 0.40 0.55 0.00 -1.47 0.00 0.00 33.84 33.48 3i1p n VAL 107 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3i1p h PRO 108 N 0.00 0.30 -6.19 7.34 0.11 -1.79 -3.33 132.00 128.44 3i1p h PRO 108 Ca 0.00 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.57 3i1p h PRO 108 Cb 0.76 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 31.75 3i1p h PRO 108 CO 0.00 0.20 1.20 1.03 -0.21 0.00 0.00 178.00 180.22 3i1p s ARG 109 N -5.30 2.94 0.14 1.05 0.52 -1.26 -4.99 118.95 112.06 3i1p s ARG 109 Ca -0.07 0.25 -0.16 0.00 -0.52 0.00 0.00 55.73 55.23 3i1p s ARG 109 Cb 0.20 -4.27 -0.07 0.00 0.52 0.00 0.00 34.95 31.32 3i1p s ARG 109 CO 0.74 -2.40 0.58 0.96 0.02 0.00 0.00 175.30 175.21 3i1p s ILE 110 N 7.35 4.79 0.00 1.52 -0.00 -1.25 -4.97 121.20 128.63 3i1p s ILE 110 Ca 0.52 0.99 -0.04 0.00 -0.00 0.00 0.00 60.65 62.12 3i1p s ILE 110 Cb -0.11 -3.79 -0.28 0.00 -0.00 0.00 0.00 42.46 38.28 3i1p s ILE 110 CO 0.19 0.31 0.87 0.03 -0.00 0.00 0.00 174.94 176.34 3i1p h ARG 111 N 3.77 0.27 0.00 0.37 -0.00 -1.94 -3.45 114.38 113.40 3i1p h ARG 111 Ca -0.49 -0.46 0.00 0.00 -0.50 0.00 0.00 59.98 58.53 3i1p h ARG 111 Cb 1.20 0.17 0.00 0.00 0.00 0.00 0.00 29.97 31.34 3i1p h ARG 111 CO 0.65 1.14 0.00 -0.25 0.00 0.00 0.00 179.97 181.51 3i1p n ASP 112 N -3.47 0.00 -3.44 7.04 8.00 -1.26 -5.18 116.55 118.24 3i1p n ASP 112 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 3i1p n ASP 112 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3i1p n ASP 112 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3i1p n PHE 113 N 0.00 -1.56 0.00 1.24 0.99 -1.26 -4.68 117.46 112.20 3i1p n PHE 113 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i1p n PHE 113 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3i1p n PHE 113 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i1p n ARG 114 N -1.12 0.00 -3.50 -1.08 0.63 -1.26 -4.93 116.66 105.41 3i1p n ARG 114 Ca 0.00 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.70 3i1p n ARG 114 Cb 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 32.78 3i1p n ARG 114 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3i1p s GLY 115 N 0.00 0.19 0.00 5.14 0.00 -1.26 -4.98 107.32 106.41 3i1p s GLY 115 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.18 3i1p s GLY 115 CO 0.00 2.23 0.00 -0.10 0.00 0.00 0.00 173.10 175.23 3i1p n LEU 116 N 5.28 0.00 -3.81 0.66 7.94 -1.07 -5.01 117.00 120.99 3i1p n LEU 116 Ca -0.05 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.69 3i1p n LEU 116 Cb 0.45 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.25 3i1p n LEU 116 CO 0.04 0.00 -0.37 -0.55 -1.11 0.00 0.00 177.39 175.41 3i1p s SER 117 N -1.00 0.27 0.00 1.96 0.15 -0.75 -4.76 113.70 109.57 3i1p s SER 117 Ca 0.00 -0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.65 3i1p s SER 117 Cb 0.00 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 3i1p s SER 117 CO 0.00 -0.09 1.02 0.00 1.20 0.00 0.00 173.24 175.37 3i1p n ALA 118 N 4.00 2.02 -2.59 5.45 0.00 -1.26 -4.07 120.51 124.06 3i1p n ALA 118 Ca -0.25 -1.01 -0.39 0.00 0.00 0.00 0.00 53.44 51.78 3i1p n ALA 118 Cb 0.51 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 3i1p n ALA 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3i1p s LYS 119 N -0.99 3.89 0.00 0.00 0.00 -1.26 -4.94 119.74 116.44 3i1p s LYS 119 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 55.97 55.89 3i1p s LYS 119 Cb 0.01 -3.70 0.00 0.00 0.00 0.00 0.00 37.83 34.15 3i1p s LYS 119 CO 0.02 -0.34 0.00 0.45 0.00 0.00 0.00 175.35 175.48 3i1p n SER 120 N 5.34 0.00 -4.88 0.03 2.88 -1.26 -4.97 113.62 110.76 3i1p n SER 120 Ca -0.09 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.24 3i1p n SER 120 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 3i1p n SER 120 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3i1p s PHE 121 N 0.00 2.90 0.00 0.66 -0.71 -1.26 -4.04 117.98 115.54 3i1p s PHE 121 Ca 0.00 -0.32 0.00 0.00 -1.04 0.00 0.00 56.93 55.57 3i1p s PHE 121 Cb 0.00 -1.90 0.00 0.00 -1.21 0.00 0.00 43.02 39.91 3i1p s PHE 121 CO 0.00 0.09 0.00 -0.25 -1.34 0.00 0.00 175.22 173.72 3i1p n ASP 122 N -1.45 0.00 0.00 1.98 8.00 -1.26 -4.95 116.55 118.87 3i1p n ASP 122 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i1p n ASP 122 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 3i1p n ASP 122 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1p n GLY 123 N 0.00 0.24 3.31 0.44 0.00 -1.26 -4.64 105.19 103.29 3i1p n GLY 123 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3i1p n GLY 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1p s ARG 124 N 0.00 3.63 -0.42 1.61 0.52 -1.25 -2.37 118.95 120.67 3i1p s ARG 124 Ca 0.00 -2.60 -0.21 0.00 -0.52 0.00 0.00 55.73 52.40 3i1p s ARG 124 Cb 0.00 -4.40 0.03 0.00 0.52 0.00 0.00 34.95 31.10 3i1p s ARG 124 CO 0.00 -1.28 0.58 0.41 0.02 0.00 0.00 175.30 175.04 3i1p n GLY 125 N 3.72 -1.05 0.07 -3.53 0.00 -1.26 -3.16 105.19 99.98 3i1p n GLY 125 Ca 0.15 1.19 0.06 0.00 0.00 0.00 0.00 46.02 47.42 3i1p n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1p n ASN 126 N -0.20 2.06 -4.16 1.61 3.02 -1.26 -1.66 115.26 114.68 3i1p n ASN 126 Ca 0.06 -2.67 -0.38 0.00 -0.03 0.00 0.00 54.58 51.56 3i1p n ASN 126 Cb 0.50 -0.28 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 3i1p n ASN 126 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3i1p n TYR 127 N -1.06 3.08 -2.53 3.10 4.02 -1.26 -4.69 117.16 117.82 3i1p n TYR 127 Ca 0.10 -2.15 -0.42 0.00 -0.01 0.00 0.00 57.90 55.42 3i1p n TYR 127 Cb 0.53 -2.36 -0.03 0.00 -0.02 0.00 0.00 39.34 37.46 3i1p n TYR 127 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3i1p s SER 128 N 4.94 7.21 -0.66 7.72 0.01 -1.26 -4.72 113.70 126.93 3i1p s SER 128 Ca 0.58 1.90 -0.01 0.00 1.31 0.00 0.00 55.95 59.73 3i1p s SER 128 Cb 0.07 -2.58 0.43 0.00 0.21 0.00 0.00 66.02 64.16 3i1p s SER 128 CO 0.08 -0.36 1.94 1.15 0.41 0.00 0.00 173.24 176.46 3i1p n MET 129 N 3.72 2.80 -1.42 12.44 0.00 -0.48 -4.89 117.12 129.29 3i1p n MET 129 Ca 0.07 -3.44 -0.47 0.00 0.00 0.00 0.00 57.70 53.86 3i1p n MET 129 Cb 0.48 -2.28 -0.12 0.00 0.00 0.00 0.00 33.22 31.29 3i1p n MET 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i1p n GLY 130 N -0.82 -0.20 0.44 3.17 0.00 -1.26 -4.65 105.19 101.86 3i1p n GLY 130 Ca 0.59 1.07 0.28 0.00 0.00 0.00 0.00 46.02 47.96 3i1p n GLY 130 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i1p h VAL 131 N 7.57 0.41 0.00 1.61 -1.51 -1.86 -3.44 116.25 119.03 3i1p h VAL 131 Ca -0.11 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3i1p h VAL 131 Cb 1.34 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.62 3i1p h VAL 131 CO 1.23 0.05 0.00 0.54 -1.23 0.00 0.00 177.57 178.16 3i1p n ARG 132 N -4.58 0.00 0.00 5.19 1.74 -1.26 -4.59 116.66 113.17 3i1p n ARG 132 Ca 0.28 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 3i1p n ARG 132 Cb 1.06 -3.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 3i1p n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3i1p n GLU 133 N -1.71 0.00 -0.47 5.56 0.00 -1.26 -4.88 120.64 117.88 3i1p n GLU 133 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.87 3i1p n GLU 133 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 31.44 31.68 3i1p n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1p n GLN 134 N 0.00 -2.84 -3.21 5.31 -0.00 -0.91 -5.01 117.38 110.73 3i1p n GLN 134 Ca 0.00 -0.82 -0.24 0.00 -0.00 0.00 0.00 57.00 55.94 3i1p n GLN 134 Cb 0.00 -1.92 -0.07 0.00 -0.00 0.00 0.00 30.24 28.25 3i1p n GLN 134 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3i1p n ILE 135 N -5.01 -0.44 0.00 -0.39 -0.00 -1.26 -4.91 119.36 107.35 3i1p n ILE 135 Ca 0.04 -4.13 0.00 0.00 -0.00 0.00 0.00 62.75 58.67 3i1p n ILE 135 Cb 0.56 -1.92 0.00 0.00 -0.00 0.00 0.00 39.64 38.28 3i1p n ILE 135 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3i1p n ILE 136 N 1.33 0.00 0.00 1.39 2.08 -1.26 -4.90 119.36 118.00 3i1p n ILE 136 Ca 0.22 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.53 3i1p n ILE 136 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.41 3i1p n ILE 136 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 3i1p n PHE 137 N 0.00 0.00 0.00 1.39 1.16 -1.26 -4.60 117.46 114.15 3i1p n PHE 137 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3i1p n PHE 137 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3i1p n PHE 137 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 3i1p n PRO 138 N 0.00 0.00 -3.64 3.97 -0.02 -1.26 -4.96 135.00 129.09 3i1p n PRO 138 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3i1p n PRO 138 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3i1p n PRO 138 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3i1p s GLU 139 N 0.00 0.08 -0.72 -0.52 -6.30 -1.26 -4.78 118.70 105.20 3i1p s GLU 139 Ca 0.00 0.01 -0.26 0.00 -2.50 0.00 0.00 54.97 52.22 3i1p s GLU 139 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 34.13 34.18 3i1p s GLU 139 CO 0.00 -0.03 1.50 0.42 0.02 0.00 0.00 175.26 177.17 3i1p s ILE 140 N -1.15 3.61 -0.66 -3.70 1.01 -1.26 -3.76 121.20 115.27 3i1p s ILE 140 Ca 0.09 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.93 3i1p s ILE 140 Cb -0.01 -4.59 0.01 0.00 0.01 0.00 0.00 42.46 37.88 3i1p s ILE 140 CO -0.07 -1.53 0.67 0.47 0.00 0.00 0.00 174.94 174.47 3i1p n ASP 141 N 10.59 -7.50 -0.36 3.58 10.43 -1.26 -4.82 116.55 127.20 3i1p n ASP 141 Ca 0.12 -0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.47 3i1p n ASP 141 Cb 0.50 -4.88 0.00 0.00 1.84 0.00 0.00 41.12 38.58 3i1p n ASP 141 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i1p n TYR 142 N -1.44 0.00 0.20 1.24 0.18 -1.25 -3.00 117.16 113.10 3i1p n TYR 142 Ca -0.00 0.00 0.07 0.00 1.88 0.00 0.00 57.90 59.85 3i1p n TYR 142 Cb 0.51 -0.04 0.24 0.00 -0.38 0.00 0.00 39.34 39.67 3i1p n TYR 142 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3i1p n ASP 143 N 0.02 3.13 -0.12 9.48 2.03 -1.26 -4.11 116.55 125.72 3i1p n ASP 143 Ca 0.00 -2.18 -0.21 0.00 0.52 0.00 0.00 54.79 52.92 3i1p n ASP 143 Cb 0.11 -0.42 -0.08 0.00 -0.72 0.00 0.00 41.12 40.01 3i1p n ASP 143 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 3i1p n LYS 144 N 0.82 0.56 0.00 -0.67 2.85 -1.16 -5.05 118.16 115.50 3i1p n LYS 144 Ca 0.17 0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 3i1p n LYS 144 Cb 0.56 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 3i1p n LYS 144 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 3i1p n VAL 145 N -4.36 0.00 0.00 0.58 0.24 -1.26 -4.96 118.33 108.57 3i1p n VAL 145 Ca -0.37 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 3i1p n VAL 145 Cb 0.71 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 3i1p n VAL 145 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3i1p n ASP 146 N -2.45 0.47 -2.11 -1.34 10.43 -1.26 -4.97 116.55 115.31 3i1p n ASP 146 Ca 0.00 0.00 -0.21 0.00 2.57 0.00 0.00 54.79 57.15 3i1p n ASP 146 Cb 0.00 0.00 0.01 0.00 1.84 0.00 0.00 41.12 42.97 3i1p n ASP 146 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3i1p n ARG 147 N 0.00 2.05 -1.77 -1.24 0.00 -1.26 -4.96 116.66 109.47 3i1p n ARG 147 Ca 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 57.85 55.94 3i1p n ARG 147 Cb 0.00 -1.82 0.00 0.00 -0.00 0.00 0.00 32.46 30.64 3i1p n ARG 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3i1p n VAL 148 N 0.44 -5.77 -3.58 8.89 0.24 -1.26 -5.09 118.33 112.20 3i1p n VAL 148 Ca 0.38 2.65 0.00 0.00 -2.04 0.00 0.00 64.34 65.33 3i1p n VAL 148 Cb 0.58 -3.61 0.00 0.00 -1.47 0.00 0.00 33.84 29.33 3i1p n VAL 148 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3i1p n ARG 149 N -0.64 1.98 0.00 7.34 5.12 -1.26 -5.05 116.66 124.14 3i1p n ARG 149 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3i1p n ARG 149 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 3i1p n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3i1p n GLY 150 N 3.48 1.88 3.71 -0.13 0.00 -1.26 -2.13 105.19 110.73 3i1p n GLY 150 Ca 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 46.02 44.90 3i1p n GLY 150 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3i1p s LEU 151 N 0.00 -0.20 0.49 0.99 -0.00 -1.26 -3.96 118.68 114.74 3i1p s LEU 151 Ca 0.00 -0.32 -0.21 0.00 -0.00 0.00 0.00 54.13 53.60 3i1p s LEU 151 Cb 0.00 2.09 -0.07 0.00 -0.00 0.00 0.00 46.19 48.20 3i1p s LEU 151 CO 0.00 -0.82 1.10 1.51 -0.00 0.00 0.00 176.35 178.14 3i1p s ASP 152 N -2.87 6.13 -0.31 1.48 3.84 -1.26 -2.56 116.67 121.12 3i1p s ASP 152 Ca 0.11 2.12 -0.02 0.00 -0.00 0.00 0.00 52.55 54.76 3i1p s ASP 152 Cb -0.01 -2.58 0.11 0.00 -1.38 0.00 0.00 42.92 39.06 3i1p s ASP 152 CO 0.00 -0.94 0.17 -0.63 -0.00 0.00 0.00 175.17 173.77 3i1p s ILE 153 N -1.76 -0.04 0.15 2.11 1.01 -1.26 -3.54 121.20 117.87 3i1p s ILE 153 Ca 0.67 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 60.36 3i1p s ILE 153 Cb -0.23 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 3i1p s ILE 153 CO 0.27 -0.78 0.13 -0.89 0.00 0.00 0.00 174.94 173.67 3i1p s THR 154 N 1.81 4.53 -0.23 2.92 2.01 -1.26 -1.38 115.64 124.04 3i1p s THR 154 Ca 0.12 -1.02 0.07 0.00 0.31 0.00 0.00 61.69 61.18 3i1p s THR 154 Cb -0.18 -3.30 -0.20 0.00 0.01 0.00 0.00 72.50 68.84 3i1p s THR 154 CO -0.25 -0.07 -0.11 -0.38 -0.69 0.00 0.00 174.62 173.12 3i1p n ILE 155 N -0.24 1.46 -3.24 1.82 -0.00 -1.26 -3.47 119.36 114.44 3i1p n ILE 155 Ca -0.08 -0.67 -0.24 0.00 -0.00 0.00 0.00 62.75 61.75 3i1p n ILE 155 Cb 0.54 -1.09 0.02 0.00 -0.00 0.00 0.00 39.64 39.11 3i1p n ILE 155 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 3i1p n THR 156 N -3.09 -7.10 -3.25 1.39 -1.04 -0.66 -3.27 114.28 97.26 3i1p n THR 156 Ca -0.41 0.40 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3i1p n THR 156 Cb 1.05 -5.20 0.00 0.00 -1.82 0.00 0.00 70.33 64.36 3i1p n THR 156 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3i1p n THR 157 N -0.40 0.00 -1.33 12.58 -2.24 -1.19 -3.23 114.28 118.47 3i1p n THR 157 Ca -0.01 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.38 3i1p n THR 157 Cb 0.59 -0.73 0.15 0.00 -2.10 0.00 0.00 70.33 68.24 3i1p n THR 157 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i1p n THR 158 N -0.86 3.17 -2.55 4.28 -2.24 -1.26 -4.44 114.28 110.38 3i1p n THR 158 Ca 0.01 -2.41 -0.43 0.00 -2.27 0.00 0.00 64.05 58.95 3i1p n THR 158 Cb 0.05 -0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 3i1p n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1p s ALA 159 N -3.43 3.46 0.42 6.98 0.00 -1.26 -4.68 121.76 123.25 3i1p s ALA 159 Ca 0.56 0.03 0.16 0.00 0.00 0.00 0.00 51.96 52.72 3i1p s ALA 159 Cb 0.47 -3.70 1.05 0.00 0.00 0.00 0.00 23.12 20.94 3i1p s ALA 159 CO 0.06 -1.56 1.88 1.57 0.00 0.00 0.00 175.76 177.70 3i1p h LYS 160 N 8.49 0.42 -4.21 0.00 5.09 -1.93 -3.34 116.57 121.09 3i1p h LYS 160 Ca -0.23 -0.03 -0.14 0.00 0.09 0.00 0.00 60.65 60.35 3i1p h LYS 160 Cb 1.08 -0.09 -0.16 0.00 0.10 0.00 0.00 32.23 33.15 3i1p h LYS 160 CO 1.03 0.28 -0.69 0.45 -2.09 0.00 0.00 179.45 178.43 3i1p s SER 161 N -5.74 0.48 0.04 7.07 0.15 -1.26 -4.73 113.70 109.71 3i1p s SER 161 Ca -0.08 -0.88 0.27 0.00 0.70 0.00 0.00 55.95 55.96 3i1p s SER 161 Cb 0.22 0.17 1.12 0.00 -1.71 0.00 0.00 66.02 65.82 3i1p s SER 161 CO 0.78 -0.52 1.86 0.47 1.20 0.00 0.00 173.24 177.03 3i1p n ASP 162 N 0.45 0.13 -0.34 5.45 8.00 -1.00 -2.37 116.55 126.88 3i1p n ASP 162 Ca -0.16 0.51 0.22 0.00 0.71 0.00 0.00 54.79 56.07 3i1p n ASP 162 Cb 0.60 -0.55 0.48 0.00 -0.02 0.00 0.00 41.12 41.63 3i1p n ASP 162 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3i1p h GLU 163 N 0.00 0.41 -0.01 -1.24 4.81 -1.95 0.59 114.58 117.19 3i1p h GLU 163 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i1p h GLU 163 Cb 0.51 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3i1p h GLU 163 CO 0.00 0.27 -0.51 0.39 -0.73 0.00 0.00 179.01 178.44 3i1p n GLU 164 N -4.71 0.73 -0.19 1.92 4.71 -1.00 -4.19 120.64 117.91 3i1p n GLU 164 Ca 0.27 -0.54 0.16 0.00 -0.01 0.00 0.00 57.16 57.03 3i1p n GLU 164 Cb 0.88 -1.49 0.49 0.00 -1.01 0.00 0.00 31.44 30.31 3i1p n GLU 164 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3i1p h GLY 165 N 4.92 0.79 2.00 0.62 0.00 -0.92 0.64 103.07 111.12 3i1p h GLY 165 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3i1p h GLY 165 CO 0.00 0.05 0.00 0.07 0.00 0.00 0.00 176.54 176.66 3i1p h ARG 166 N 0.44 0.00 0.06 4.80 0.11 -1.73 -2.53 114.38 115.53 3i1p h ARG 166 Ca 0.40 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.21 3i1p h ARG 166 Cb 0.92 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 3i1p h ARG 166 CO -0.14 0.00 -1.43 0.00 0.10 0.00 0.00 179.97 178.50 3i1p h ALA 167 N 2.32 0.40 0.00 0.08 0.00 0.02 -2.13 119.26 119.95 3i1p h ALA 167 Ca 0.00 -1.13 -0.02 0.00 0.00 0.00 0.00 54.91 53.76 3i1p h ALA 167 Cb 0.48 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i1p h ALA 167 CO 0.00 1.26 -0.11 -0.07 0.00 0.00 0.00 179.25 180.33 3i1p h LEU 168 N 0.04 0.00 -2.84 0.00 4.07 -1.25 -2.03 115.31 113.30 3i1p h LEU 168 Ca -0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.77 3i1p h LEU 168 Cb 1.95 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.69 3i1p h LEU 168 CO 0.14 0.11 0.00 0.18 -1.08 0.00 0.00 178.44 177.79 3i1p n LEU 169 N -3.20 4.29 0.03 1.67 4.32 -0.97 -3.52 117.00 119.62 3i1p n LEU 169 Ca 0.01 -2.16 0.11 0.00 -0.02 0.00 0.00 56.01 53.96 3i1p n LEU 169 Cb 0.43 -0.53 -0.10 0.00 -1.62 0.00 0.00 43.42 41.59 3i1p n LEU 169 CO 0.32 0.82 -0.44 0.00 -1.22 0.00 0.00 177.39 176.87 3i1p n ALA 170 N 1.23 2.80 0.07 -1.18 0.00 -0.77 -3.05 120.51 119.61 3i1p n ALA 170 Ca 0.24 -0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 3i1p n ALA 170 Cb 0.77 -0.88 0.14 0.00 0.00 0.00 0.00 19.45 19.48 3i1p n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1p h ALA 171 N 2.06 0.91 -3.40 0.00 0.00 -1.59 -3.40 119.26 113.83 3i1p h ALA 171 Ca 0.00 -0.49 -0.55 0.00 0.00 0.00 0.00 54.91 53.87 3i1p h ALA 171 Cb 0.97 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.28 3i1p h ALA 171 CO 0.00 0.68 -0.77 -0.06 0.00 0.00 0.00 179.25 179.09 3i1p s PHE 172 N -3.94 1.52 -0.36 0.00 0.08 -1.25 -4.89 117.98 109.12 3i1p s PHE 172 Ca -0.05 -1.17 -0.40 0.00 0.12 0.00 0.00 56.93 55.43 3i1p s PHE 172 Cb 0.12 -1.23 -0.15 0.00 -0.57 0.00 0.00 43.02 41.20 3i1p s PHE 172 CO 0.80 -0.67 1.98 -3.47 -0.10 0.00 0.00 175.22 173.76 3i1p n ASP 173 N 4.91 1.89 -4.78 1.36 2.03 -1.25 -4.65 116.55 116.06 3i1p n ASP 173 Ca -0.10 0.77 -0.36 0.00 0.52 0.00 0.00 54.79 55.62 3i1p n ASP 173 Cb 0.46 -1.12 -0.08 0.00 -0.72 0.00 0.00 41.12 39.67 3i1p n ASP 173 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3i1p s PHE 174 N 5.36 3.40 0.00 -0.67 5.36 -1.17 -4.98 117.98 125.29 3i1p s PHE 174 Ca 1.07 0.35 -0.01 0.00 -0.96 0.00 0.00 56.93 57.38 3i1p s PHE 174 Cb -1.11 -1.91 -0.01 0.00 -0.34 0.00 0.00 43.02 39.65 3i1p s PHE 174 CO 0.61 0.56 1.02 -1.00 -1.46 0.00 0.00 175.22 174.95 3i1p h PRO 175 N 5.31 -0.03 0.00 10.12 0.13 -1.94 -3.45 132.00 142.15 3i1p h PRO 175 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3i1p h PRO 175 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i1p h PRO 175 CO 0.59 -0.02 0.00 1.19 -0.23 0.00 0.00 178.00 179.53 3i1p n PHE 176 N -2.66 0.00 0.00 1.56 0.99 -1.26 -4.77 117.46 111.32 3i1p n PHE 176 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i1p n PHE 176 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.50 3i1p n PHE 176 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3i1p n ARG 177 N 14.00 0.00 0.00 -1.08 0.00 -1.26 -1.82 116.66 126.50 3i1p n ARG 177 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 3i1p n ARG 177 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 32.46 32.76 3i1p n ARG 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80