#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jty n LEU 3 N 0.00 0.00 -0.12 1.20 -0.00 -1.26 -2.52 117.00 114.30 1jty n LEU 3 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.02 1jty n LEU 3 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1jty n LEU 3 CO 0.00 0.00 0.51 2.29 -0.00 0.00 0.00 177.39 180.19 1jty n LYS 4 N 0.00 1.13 -0.11 1.96 -0.00 -1.26 -3.60 118.16 116.28 1jty n LYS 4 Ca 0.00 -0.20 -0.19 0.00 -0.00 0.00 0.00 58.31 57.92 1jty n LYS 4 Cb 0.00 -1.06 -0.09 0.00 -0.00 0.00 0.00 35.03 33.88 1jty n LYS 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1jty n ASP 5 N -0.33 2.04 0.27 -5.58 2.03 -1.26 -4.09 116.55 109.63 1jty n ASP 5 Ca 0.02 0.04 0.16 0.00 0.52 0.00 0.00 54.79 55.53 1jty n ASP 5 Cb 0.06 -0.48 0.62 0.00 -0.72 0.00 0.00 41.12 40.59 1jty n ASP 5 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1jty h LYS 6 N -0.33 0.00 -0.13 -0.67 1.63 -1.56 -2.20 116.57 113.31 1jty h LYS 6 Ca -0.53 0.00 -0.18 0.00 -0.85 0.00 0.00 60.65 59.09 1jty h LYS 6 Cb 1.67 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.29 1jty h LYS 6 CO -0.19 0.01 -0.67 0.82 -3.45 0.00 0.00 179.45 175.98 1jty h ILE 7 N 0.00 1.34 -1.00 2.00 2.04 -1.74 -3.21 117.51 116.94 1jty h ILE 7 Ca -0.00 -1.98 0.02 0.00 1.00 0.00 0.00 64.86 63.91 1jty h ILE 7 Cb 0.58 1.95 -0.05 0.00 -0.74 0.00 0.00 36.82 38.56 1jty h ILE 7 CO 0.00 0.61 0.66 -0.07 0.00 0.00 0.00 178.15 179.35 1jty h LEU 8 N 0.38 1.12 -0.38 1.44 3.38 -1.54 -1.22 115.31 118.49 1jty h LEU 8 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jty h LEU 8 Cb 1.24 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1jty h LEU 8 CO 0.12 0.78 0.00 0.61 0.09 0.00 0.00 178.44 180.05 1jty n GLY 9 N -1.38 -1.31 0.00 0.83 0.00 -1.21 -2.76 105.19 99.36 1jty n GLY 9 Ca 0.13 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1jty n GLY 9 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jty n VAL 10 N -2.04 0.00 -0.30 1.61 0.31 -0.47 -3.62 118.33 113.83 1jty n VAL 10 Ca 0.03 0.73 0.13 0.00 -0.01 0.00 0.00 64.34 65.22 1jty n VAL 10 Cb 0.26 -1.72 0.29 0.00 -0.91 0.00 0.00 33.84 31.76 1jty n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jty h ALA 11 N -2.00 1.28 -0.98 3.52 0.00 -1.61 0.35 119.26 119.81 1jty h ALA 11 Ca 0.00 0.22 0.25 0.00 0.00 0.00 0.00 54.91 55.38 1jty h ALA 11 Cb 0.00 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 17.90 1jty h ALA 11 CO 0.00 -0.45 -0.04 -0.22 0.00 0.00 0.00 179.25 178.54 1jty h LYS 12 N 0.23 0.01 0.01 0.00 3.11 -1.64 0.56 116.57 118.85 1jty h LYS 12 Ca 0.55 -0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 58.15 1jty h LYS 12 Cb 1.10 -0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.33 1jty h LYS 12 CO -0.64 0.00 -0.99 1.49 -2.81 0.00 0.00 179.45 176.51 1jty h GLU 13 N 0.01 0.47 0.00 1.90 4.22 -0.39 -1.29 114.58 119.49 1jty h GLU 13 Ca 0.57 -0.52 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1jty h GLU 13 Cb 1.10 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1jty h GLU 13 CO -0.94 1.17 -0.11 -0.07 -2.18 0.00 0.00 179.01 176.87 1jty h LEU 14 N 0.26 0.00 0.10 1.64 4.07 0.48 1.24 115.31 123.10 1jty h LEU 14 Ca -0.10 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.61 1jty h LEU 14 Cb 1.64 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.37 1jty h LEU 14 CO 0.18 0.11 -1.29 -0.26 -1.08 0.00 0.00 178.44 176.10 1jty h PHE 15 N 0.00 0.39 0.00 1.13 0.05 -0.13 -0.53 116.94 117.85 1jty h PHE 15 Ca -0.00 -0.28 -0.10 0.00 3.82 0.00 0.00 57.97 61.40 1jty h PHE 15 Cb 0.30 -0.02 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 1jty h PHE 15 CO 0.00 1.51 -0.48 0.82 -0.18 0.00 0.00 178.31 179.97 1jty h ILE 16 N -0.40 1.10 0.00 -0.55 2.04 -0.92 -0.15 117.51 118.64 1jty h ILE 16 Ca -0.28 -1.81 -0.04 0.00 1.00 0.00 0.00 64.86 63.72 1jty h ILE 16 Cb 1.68 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 1jty h ILE 16 CO 0.04 0.47 -1.55 1.17 0.00 0.00 0.00 178.15 178.28 1jty n LYS 17 N -3.61 0.63 0.00 2.37 0.00 0.42 -4.76 118.16 113.22 1jty n LYS 17 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1jty n LYS 17 Cb 0.57 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.92 1jty n LYS 17 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1jty n ASN 18 N -2.53 1.28 0.00 3.14 3.02 -0.24 -5.02 115.26 114.91 1jty n ASN 18 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1jty n ASN 18 Cb 0.63 0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1jty n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jty n GLY 19 N 1.08 0.07 0.00 7.41 0.00 -0.07 -4.51 105.19 109.17 1jty n GLY 19 Ca 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1jty n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jty n TYR 20 N 0.00 0.00 1.48 1.61 9.36 -1.26 -3.95 117.16 124.40 1jty n TYR 20 Ca 0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 1jty n TYR 20 Cb 0.00 -0.25 0.56 0.00 -0.63 0.00 0.00 39.34 39.01 1jty n TYR 20 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1jty n ASN 21 N -1.25 0.00 -0.46 2.98 0.23 -1.26 -1.98 115.26 113.51 1jty n ASN 21 Ca 0.00 -0.90 0.10 0.00 -0.53 0.00 0.00 54.58 53.25 1jty n ASN 21 Cb 0.00 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.08 1jty n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jty n ALA 22 N -0.90 2.53 -3.54 -2.53 0.00 -1.26 -4.74 120.51 110.07 1jty n ALA 22 Ca 0.14 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 53.01 1jty n ALA 22 Cb 0.06 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 1jty n ALA 22 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jty s THR 23 N -1.81 -0.02 0.41 0.00 -4.23 -0.84 -4.71 115.64 104.45 1jty s THR 23 Ca 0.30 0.06 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 1jty s THR 23 Cb 0.16 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 1jty s THR 23 CO 0.24 0.03 0.06 0.28 -0.54 0.00 0.00 174.62 174.69 1jty s THR 24 N 0.94 1.07 0.10 3.99 -1.32 -1.26 -4.87 115.64 114.29 1jty s THR 24 Ca -0.06 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.13 1jty s THR 24 Cb -0.06 -2.50 -0.11 0.00 -1.51 0.00 0.00 72.50 68.32 1jty s THR 24 CO -0.07 0.00 1.63 0.71 -2.21 0.00 0.00 174.62 174.68 1jty h THR 25 N 1.76 0.38 -0.64 5.08 1.35 -1.99 -0.23 112.91 118.63 1jty h THR 25 Ca -0.40 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.57 1jty h THR 25 Cb 1.27 0.38 -0.12 0.00 -1.73 0.00 0.00 68.15 67.95 1jty h THR 25 CO 0.68 0.00 -0.32 1.23 -0.25 0.00 0.00 175.52 176.85 1jty h GLY 26 N -0.57 -0.03 -0.11 5.82 0.00 -1.99 0.18 103.07 106.38 1jty h GLY 26 Ca 0.01 0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.77 1jty h GLY 26 CO -0.11 -0.21 -0.14 0.83 0.00 0.00 0.00 176.54 176.90 1jty h GLU 27 N -0.13 -0.10 -0.88 4.80 5.08 -1.76 -1.79 114.58 119.80 1jty h GLU 27 Ca 0.25 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.70 1jty h GLU 27 Cb 0.55 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.72 1jty h GLU 27 CO -0.71 -0.07 -0.52 -0.89 -1.00 0.00 0.00 179.01 175.83 1jty n ILE 28 N -3.40 -0.60 -0.56 3.13 5.41 -0.17 0.13 119.36 123.29 1jty n ILE 28 Ca -0.01 2.21 0.47 0.00 1.00 0.00 0.00 62.75 66.42 1jty n ILE 28 Cb 0.09 -2.74 0.80 0.00 -0.71 0.00 0.00 39.64 37.07 1jty n ILE 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1jty h VAL 29 N 0.00 0.15 0.00 1.39 2.07 0.12 0.58 116.25 120.56 1jty h VAL 29 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1jty h VAL 29 Cb 0.36 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1jty h VAL 29 CO -0.83 0.00 0.00 1.17 0.02 0.00 0.00 177.57 177.93 1jty n LYS 30 N -4.01 0.00 0.02 1.57 4.81 0.34 0.42 118.16 121.31 1jty n LYS 30 Ca 0.37 0.17 0.07 0.00 -0.87 0.00 0.00 58.31 58.05 1jty n LYS 30 Cb 1.73 -1.11 0.29 0.00 0.02 0.00 0.00 35.03 35.96 1jty n LYS 30 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1jty n LEU 31 N -1.02 0.09 0.13 3.14 7.94 -1.00 -2.78 117.00 123.50 1jty n LEU 31 Ca 0.00 0.53 -0.06 0.00 -1.11 0.00 0.00 56.01 55.37 1jty n LEU 31 Cb 0.00 -0.52 -0.03 0.00 0.53 0.00 0.00 43.42 43.40 1jty n LEU 31 CO 0.00 -0.35 0.22 -1.28 -1.11 0.00 0.00 177.39 174.87 1jty h SER 32 N 0.00 -0.33 -2.70 1.96 0.87 0.26 -3.49 113.55 110.12 1jty h SER 32 Ca 0.00 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1jty h SER 32 Cb 0.21 0.09 0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1jty h SER 32 CO 0.00 -0.04 -0.12 -0.62 -0.53 0.00 0.00 176.83 175.52 1jty n GLU 33 N -4.17 -0.92 -4.19 2.24 1.02 0.17 -5.00 120.64 109.78 1jty n GLU 33 Ca -0.05 0.13 -0.17 0.00 -0.02 0.00 0.00 57.16 57.06 1jty n GLU 33 Cb 0.15 -2.89 -0.07 0.00 -0.02 0.00 0.00 31.44 28.62 1jty n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jty s SER 34 N -3.19 1.22 0.14 1.62 0.15 -1.26 -5.11 113.70 107.28 1jty s SER 34 Ca 0.01 -1.61 -0.00 0.00 0.70 0.00 0.00 55.95 55.05 1jty s SER 34 Cb -0.00 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1jty s SER 34 CO 0.11 -1.14 0.31 -0.94 1.20 0.00 0.00 173.24 172.78 1jty s SER 35 N -3.30 6.38 0.00 5.45 1.04 -1.26 -4.91 113.70 117.10 1jty s SER 35 Ca 0.36 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1jty s SER 35 Cb 0.02 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1jty s SER 35 CO 0.23 0.06 0.21 2.29 0.98 0.00 0.00 173.24 177.01 1jty n LYS 36 N -0.26 0.25 0.00 4.02 2.85 -1.26 -1.01 118.16 122.75 1jty n LYS 36 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1jty n LYS 36 Cb 0.53 -1.30 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 1jty n LYS 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1jty n GLY 37 N 0.72 0.00 0.36 2.58 0.00 -1.26 -4.38 105.19 103.21 1jty n GLY 37 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1jty n GLY 37 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jty h ASN 38 N 0.00 1.09 -0.05 1.61 -0.00 -1.47 0.02 115.58 116.78 1jty h ASN 38 Ca 0.00 -0.02 -0.10 0.00 -0.00 0.00 0.00 56.30 56.17 1jty h ASN 38 Cb 0.56 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 38.60 1jty h ASN 38 CO 0.00 0.78 -0.29 -0.07 -0.00 0.00 0.00 177.43 177.86 1jty h LEU 39 N 1.29 0.51 -0.67 0.34 -0.00 -1.82 -3.20 115.31 111.75 1jty h LEU 39 Ca 0.36 -0.19 0.11 0.00 -0.00 0.00 0.00 57.88 58.17 1jty h LEU 39 Cb -0.11 -0.14 -0.12 0.00 -0.00 0.00 0.00 40.66 40.28 1jty h LEU 39 CO -0.09 0.78 -0.35 0.22 -0.00 0.00 0.00 178.44 179.01 1jty h TYR 40 N 0.44 -0.96 0.00 1.13 3.20 -1.12 -0.51 116.97 119.15 1jty h TYR 40 Ca 0.06 0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1jty h TYR 40 Cb 0.72 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1jty h TYR 40 CO 0.02 -0.39 0.00 0.98 -1.64 0.00 0.00 178.16 177.14 1jty n TYR 41 N -5.44 0.00 0.19 -3.82 9.36 -1.18 -3.77 117.16 112.50 1jty n TYR 41 Ca 0.05 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.31 1jty n TYR 41 Cb 0.36 0.00 0.42 0.00 -0.63 0.00 0.00 39.34 39.49 1jty n TYR 41 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1jty h HIS 42 N 0.00 0.04 -3.51 2.98 3.86 -1.76 -3.36 115.15 113.40 1jty h HIS 42 Ca 0.00 -0.01 -0.73 0.00 -1.16 0.00 0.00 60.37 58.47 1jty h HIS 42 Cb 0.00 -0.01 -0.32 0.00 1.06 0.00 0.00 27.41 28.13 1jty h HIS 42 CO 0.00 0.30 -0.04 -0.06 0.86 0.00 0.00 177.93 178.99 1jty s PHE 43 N -4.46 3.81 0.25 2.45 2.99 -0.20 -4.89 117.98 117.94 1jty s PHE 43 Ca -0.04 -2.72 -0.03 0.00 0.00 0.00 0.00 56.93 54.14 1jty s PHE 43 Cb 0.15 -3.43 0.41 0.00 0.00 0.00 0.00 43.02 40.15 1jty s PHE 43 CO 0.72 -0.84 1.83 0.87 -0.00 0.00 0.00 175.22 177.80 1jty h LYS 44 N 6.68 0.89 -3.74 0.44 6.56 -1.70 -3.35 116.57 122.35 1jty h LYS 44 Ca 0.11 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 59.57 1jty h LYS 44 Cb 0.90 -0.20 -0.10 0.00 -0.57 0.00 0.00 32.23 32.26 1jty h LYS 44 CO 0.83 0.59 -0.17 -0.08 -2.06 0.00 0.00 179.45 178.55 1jty s THR 45 N -6.03 0.00 0.22 -0.16 -1.32 -1.26 -4.92 115.64 102.17 1jty s THR 45 Ca -0.12 -1.45 -0.13 0.00 -1.21 0.00 0.00 61.69 58.77 1jty s THR 45 Cb 0.20 -2.20 0.25 0.00 -1.51 0.00 0.00 72.50 69.24 1jty s THR 45 CO 0.79 -0.02 1.62 0.50 -2.21 0.00 0.00 174.62 175.30 1jty h LYS 46 N 2.30 -0.01 -0.31 7.08 3.64 -2.00 0.13 116.57 127.40 1jty h LYS 46 Ca -0.27 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1jty h LYS 46 Cb 1.25 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.99 1jty h LYS 46 CO 0.38 -0.01 -0.34 0.93 -2.27 0.00 0.00 179.45 178.14 1jty h GLU 47 N -0.01 -0.30 0.21 1.90 5.08 -1.98 -0.76 114.58 118.72 1jty h GLU 47 Ca 0.32 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1jty h GLU 47 Cb 0.49 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1jty h GLU 47 CO -0.69 -0.20 -0.46 -0.91 -1.00 0.00 0.00 179.01 175.75 1jty h ASN 48 N -0.31 -1.33 -0.63 1.42 4.21 -1.39 1.15 115.58 118.70 1jty h ASN 48 Ca 0.14 0.14 0.12 0.00 1.21 0.00 0.00 56.30 57.91 1jty h ASN 48 Cb 0.55 0.48 -0.12 0.00 -1.12 0.00 0.00 38.32 38.11 1jty h ASN 48 CO -0.48 -0.54 -0.19 0.25 -1.29 0.00 0.00 177.43 175.18 1jty h LEU 49 N -0.75 -0.69 0.09 1.61 5.85 -1.04 0.54 115.31 120.91 1jty h LEU 49 Ca -0.00 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1jty h LEU 49 Cb 0.74 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1jty h LEU 49 CO -0.21 -0.23 -0.04 0.15 -0.34 0.00 0.00 178.44 177.77 1jty h PHE 50 N -0.03 -0.11 -0.75 1.25 -0.00 -0.40 -0.16 116.94 116.73 1jty h PHE 50 Ca 0.29 -0.00 0.22 0.00 -0.00 0.00 0.00 57.97 58.48 1jty h PHE 50 Cb 0.49 0.04 -0.03 0.00 -0.00 0.00 0.00 35.95 36.44 1jty h PHE 50 CO -0.54 -0.07 0.89 1.25 -0.00 0.00 0.00 178.31 179.84 1jty h LEU 51 N -0.13 0.00 0.14 0.59 7.12 0.17 0.76 115.31 123.95 1jty h LEU 51 Ca -0.01 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 1jty h LEU 51 Cb 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1jty h LEU 51 CO 0.02 0.00 -0.07 -0.08 -0.13 0.00 0.00 178.44 178.18 1jty h GLU 52 N 0.00 -0.18 -0.96 1.25 4.57 0.32 -3.20 114.58 116.38 1jty h GLU 52 Ca 0.36 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.74 1jty h GLU 52 Cb 2.12 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 30.67 1jty h GLU 52 CO -0.00 -0.04 0.61 0.82 -1.18 0.00 0.00 179.01 179.22 1jty h ILE 53 N -1.04 0.70 0.00 2.32 2.04 0.97 -1.91 117.51 120.60 1jty h ILE 53 Ca -0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1jty h ILE 53 Cb 0.22 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 1jty h ILE 53 CO 0.03 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.47 1jty n LEU 54 N -4.63 0.00 -0.31 1.44 4.77 -0.20 -1.65 117.00 116.42 1jty n LEU 54 Ca 0.21 0.66 0.06 0.00 -0.03 0.00 0.00 56.01 56.91 1jty n LEU 54 Cb 0.63 -0.16 0.15 0.00 -2.33 0.00 0.00 43.42 41.72 1jty n LEU 54 CO 0.26 -0.16 0.72 -1.13 -1.33 0.00 0.00 177.39 175.76 1jty h ASN 55 N 0.00 -0.71 -0.36 -1.43 -1.24 -1.48 -0.01 115.58 110.34 1jty h ASN 55 Ca 0.00 0.26 0.04 0.00 0.71 0.00 0.00 56.30 57.31 1jty h ASN 55 Cb 0.00 0.52 -0.07 0.00 0.73 0.00 0.00 38.32 39.50 1jty h ASN 55 CO 0.00 -0.29 -0.42 0.40 -1.29 0.00 0.00 177.43 175.83 1jty h ILE 56 N 0.01 0.00 -0.88 2.57 2.04 -1.13 0.27 117.51 120.39 1jty h ILE 56 Ca 0.46 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.38 1jty h ILE 56 Cb 0.76 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 1jty h ILE 56 CO -0.89 0.00 0.55 -0.33 0.00 0.00 0.00 178.15 177.48 1jty h GLU 57 N -0.26 0.97 -0.13 2.37 4.39 -0.15 0.03 114.58 121.80 1jty h GLU 57 Ca 0.06 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.74 1jty h GLU 57 Cb 0.43 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1jty h GLU 57 CO -0.48 0.64 0.10 1.49 -1.16 0.00 0.00 179.01 179.60 1jty h GLU 58 N 1.00 0.00 0.03 2.33 4.22 -0.08 -1.50 114.58 120.57 1jty h GLU 58 Ca 0.39 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.56 1jty h GLU 58 Cb 0.18 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.45 1jty h GLU 58 CO -0.18 0.00 -1.07 0.77 -2.18 0.00 0.00 179.01 176.35 1jty h SER 59 N 0.00 0.83 0.22 1.04 0.02 0.10 0.28 113.55 116.04 1jty h SER 59 Ca 0.06 -0.69 -0.03 0.00 -0.84 0.00 0.00 61.79 60.29 1jty h SER 59 Cb 0.26 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jty h SER 59 CO -0.00 1.49 -0.14 0.11 -1.14 0.00 0.00 176.83 177.15 1jty h LYS 60 N 0.34 0.00 0.26 3.45 1.79 -0.88 0.15 116.57 121.68 1jty h LYS 60 Ca -0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 1jty h LYS 60 Cb 1.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 1jty h LYS 60 CO 0.20 0.14 -0.12 2.35 -1.08 0.00 0.00 179.45 180.94 1jty h TRP 61 N 0.00 -0.32 -0.79 -1.35 -0.00 -1.22 -1.61 115.95 110.66 1jty h TRP 61 Ca -0.00 -0.01 0.20 0.00 -0.00 0.00 0.00 58.89 59.08 1jty h TRP 61 Cb 0.29 0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.52 1jty h TRP 61 CO 0.00 -0.08 0.54 0.37 -0.00 0.00 0.00 178.44 179.28 1jty h GLN 62 N -1.04 0.19 -0.05 2.65 5.75 -0.62 0.38 115.11 122.38 1jty h GLN 62 Ca -0.04 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 1jty h GLN 62 Cb 0.39 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1jty h GLN 62 CO 0.06 0.13 -0.21 1.49 -2.65 0.00 0.00 178.83 177.65 1jty h GLU 63 N 0.20 0.22 -0.56 1.69 4.81 -0.73 -2.69 114.58 117.52 1jty h GLU 63 Ca 0.39 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1jty h GLU 63 Cb 1.23 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.62 1jty h GLU 63 CO -0.08 0.83 0.36 0.37 -0.73 0.00 0.00 179.01 179.75 1jty h GLN 64 N -0.33 0.76 -0.84 1.92 4.15 -0.07 -1.81 115.11 118.88 1jty h GLN 64 Ca -0.01 -0.06 0.18 0.00 0.77 0.00 0.00 58.65 59.52 1jty h GLN 64 Cb 0.86 -0.16 -0.11 0.00 0.21 0.00 0.00 27.48 28.28 1jty h GLN 64 CO 0.04 0.53 0.37 2.35 -1.93 0.00 0.00 178.83 180.19 1jty h TRP 65 N 0.76 0.63 0.75 3.99 -0.00 -0.31 -1.89 115.95 119.88 1jty h TRP 65 Ca 0.20 0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 59.10 1jty h TRP 65 Cb -0.05 -0.15 0.01 0.00 -0.00 0.00 0.00 29.16 28.97 1jty h TRP 65 CO -0.03 0.05 -0.36 0.87 -0.00 0.00 0.00 178.44 178.97 1jty h LYS 66 N 0.47 -0.97 -0.58 2.65 6.56 -1.04 0.06 116.57 123.72 1jty h LYS 66 Ca 0.49 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 60.14 1jty h LYS 66 Cb 0.81 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1jty h LYS 66 CO -0.45 -0.64 0.00 1.63 -2.06 0.00 0.00 179.45 177.94 1jty n LYS 67 N -5.46 0.12 0.00 3.15 5.02 -0.75 -2.69 118.16 117.56 1jty n LYS 67 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1jty n LYS 67 Cb 0.41 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 1jty n LYS 67 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jty n GLU 68 N 0.57 0.00 0.17 1.97 1.02 -0.91 -4.83 120.64 118.63 1jty n GLU 68 Ca 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.31 1jty n GLU 68 Cb 0.04 -0.43 0.66 0.00 -0.02 0.00 0.00 31.44 31.68 1jty n GLU 68 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1jty h GLN 69 N 0.00 0.00 -1.38 3.49 3.07 -0.77 -2.19 115.11 117.33 1jty h GLN 69 Ca 0.00 0.00 0.42 0.00 0.09 0.00 0.00 58.65 59.16 1jty h GLN 69 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.46 1jty h GLN 69 CO 0.00 0.00 0.93 0.82 0.09 0.00 0.00 178.83 180.67 1jty h ILE 70 N 0.00 0.22 -0.22 1.86 5.03 -1.85 0.12 117.51 122.68 1jty h ILE 70 Ca 0.14 -0.04 -0.10 0.00 -0.12 0.00 0.00 64.86 64.74 1jty h ILE 70 Cb 1.23 0.11 -0.06 0.00 -3.03 0.00 0.00 36.82 35.08 1jty h ILE 70 CO -0.00 0.02 0.13 0.29 -0.68 0.00 0.00 178.15 177.91 1jty n LYS 71 N -4.43 1.40 -3.89 2.37 5.02 -0.82 -4.74 118.16 113.07 1jty n LYS 71 Ca 0.34 -0.72 -0.21 0.00 -2.02 0.00 0.00 58.31 55.71 1jty n LYS 71 Cb 1.42 -1.35 -0.17 0.00 -0.02 0.00 0.00 35.03 34.91 1jty n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jty s ALA 72 N -0.89 0.57 0.00 7.82 0.00 0.42 -5.06 121.76 124.62 1jty s ALA 72 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1jty s ALA 72 Cb 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1jty s ALA 72 CO 0.03 -0.27 0.00 1.63 0.00 0.00 0.00 175.76 177.15 1jty n LYS 73 N 4.67 0.00 -1.70 0.00 4.01 -1.26 -4.82 118.16 119.06 1jty n LYS 73 Ca -0.15 0.00 -0.39 0.00 -0.51 0.00 0.00 58.31 57.26 1jty n LYS 73 Cb 0.50 -0.12 0.04 0.00 -0.51 0.00 0.00 35.03 34.94 1jty n LYS 73 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1jty n THR 74 N -0.18 3.54 -0.35 -0.18 -2.24 -1.26 -4.83 114.28 108.77 1jty n THR 74 Ca 0.00 -0.50 0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1jty n THR 74 Cb 0.00 -1.50 0.22 0.00 -2.10 0.00 0.00 70.33 66.96 1jty n THR 74 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1jty h ASN 75 N 1.32 0.95 -0.81 3.42 4.21 -1.94 0.43 115.58 123.17 1jty h ASN 75 Ca -0.49 0.03 0.23 0.00 1.21 0.00 0.00 56.30 57.28 1jty h ASN 75 Cb 1.32 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 38.31 1jty h ASN 75 CO 0.56 0.56 0.60 -0.09 -1.29 0.00 0.00 177.43 177.78 1jty h ARG 76 N 1.05 0.00 0.02 0.81 2.43 -1.93 1.28 114.38 118.04 1jty h ARG 76 Ca 0.45 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.42 1jty h ARG 76 Cb 0.34 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1jty h ARG 76 CO -0.21 0.00 -0.95 0.93 -1.51 0.00 0.00 179.97 178.23 1jty h GLU 77 N 0.00 0.10 -0.68 0.20 5.08 -0.48 -2.56 114.58 116.25 1jty h GLU 77 Ca 0.38 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1jty h GLU 77 Cb 1.59 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 1jty h GLU 77 CO -0.00 0.97 0.25 0.87 -1.00 0.00 0.00 179.01 180.09 1jty h LYS 78 N 0.04 1.03 0.21 2.33 1.79 0.19 -0.76 116.57 121.40 1jty h LYS 78 Ca -0.04 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1jty h LYS 78 Cb 1.63 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.12 1jty h LYS 78 CO 0.14 0.87 -0.12 0.35 -1.08 0.00 0.00 179.45 179.61 1jty h PHE 79 N 0.97 -0.31 -0.82 -1.35 3.57 -0.75 0.26 116.94 118.51 1jty h PHE 79 Ca 0.22 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.92 1jty h PHE 79 Cb 0.24 0.11 -0.14 0.00 2.79 0.00 0.00 35.95 38.94 1jty h PHE 79 CO 0.02 -0.18 0.02 1.88 -2.23 0.00 0.00 178.31 177.82 1jty h TYR 80 N -0.30 -0.03 0.71 0.41 0.05 -1.44 -2.01 116.97 114.36 1jty h TYR 80 Ca -0.03 0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1jty h TYR 80 Cb 0.24 0.14 0.01 0.00 1.01 0.00 0.00 36.73 38.13 1jty h TYR 80 CO 0.10 -0.28 -0.34 1.25 -1.05 0.00 0.00 178.16 177.85 1jty h LEU 81 N 0.09 -0.80 -0.80 3.88 5.85 -1.00 -0.60 115.31 121.93 1jty h LEU 81 Ca 0.46 0.01 0.19 0.00 0.84 0.00 0.00 57.88 59.38 1jty h LEU 81 Cb 0.86 0.21 -0.12 0.00 0.37 0.00 0.00 40.66 41.98 1jty h LEU 81 CO -0.73 -0.52 0.24 0.22 -0.34 0.00 0.00 178.44 177.31 1jty h TYR 82 N -1.03 0.37 -0.12 1.25 3.20 0.09 0.86 116.97 121.59 1jty h TYR 82 Ca -0.10 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1jty h TYR 82 Cb 0.75 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1jty h TYR 82 CO -0.01 -0.10 0.01 -0.91 -1.64 0.00 0.00 178.16 175.51 1jty h ASN 83 N 0.29 0.19 -0.01 -2.11 -0.26 -1.32 -0.13 115.58 112.24 1jty h ASN 83 Ca 0.47 -0.28 0.03 0.00 -0.56 0.00 0.00 56.30 55.97 1jty h ASN 83 Cb 0.85 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 38.02 1jty h ASN 83 CO -0.54 0.42 -0.25 -0.33 -1.06 0.00 0.00 177.43 175.67 1jty h GLU 84 N -0.04 -0.38 -0.92 0.81 5.08 0.10 -1.62 114.58 117.62 1jty h GLU 84 Ca 0.04 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1jty h GLU 84 Cb 0.32 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1jty h GLU 84 CO 0.00 -0.25 0.59 -0.07 -1.00 0.00 0.00 179.01 178.28 1jty h LEU 85 N -0.39 0.94 -1.59 1.33 -0.00 0.61 -0.78 115.31 115.43 1jty h LEU 85 Ca 0.06 0.01 0.30 0.00 -0.00 0.00 0.00 57.88 58.26 1jty h LEU 85 Cb 0.48 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 40.90 1jty h LEU 85 CO -0.23 0.61 1.00 0.28 -0.00 0.00 0.00 178.44 180.10 1jty h SER 86 N 1.08 0.00 0.21 -0.43 0.02 0.01 0.35 113.55 114.78 1jty h SER 86 Ca 0.39 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.06 1jty h SER 86 Cb 0.14 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.71 1jty h SER 86 CO -0.16 0.00 -1.24 -0.07 -1.14 0.00 0.00 176.83 174.22 1jty h LEU 87 N 0.00 0.70 0.00 5.07 3.38 -1.04 -3.39 115.31 120.03 1jty h LEU 87 Ca 0.50 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1jty h LEU 87 Cb 2.49 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 43.01 1jty h LEU 87 CO -0.01 1.60 -0.77 0.71 0.09 0.00 0.00 178.44 180.06 1jty h THR 88 N -0.05 0.00 -3.65 0.22 1.35 -0.38 -3.48 112.91 106.90 1jty h THR 88 Ca -0.22 -0.78 -0.54 0.00 -0.55 0.00 0.00 66.41 64.32 1jty h THR 88 Cb 1.97 1.35 0.20 0.00 -1.73 0.00 0.00 68.15 69.93 1jty h THR 88 CO 0.23 0.00 -0.20 0.35 -0.25 0.00 0.00 175.52 175.65 1jty n THR 89 N -2.46 1.07 -0.62 6.82 -2.24 -0.90 -4.91 114.28 111.05 1jty n THR 89 Ca 0.02 -0.24 0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1jty n THR 89 Cb 0.50 -0.85 0.24 0.00 -2.10 0.00 0.00 70.33 68.12 1jty n THR 89 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1jty n GLU 90 N -2.10 3.13 -4.95 -0.78 0.00 -1.26 -4.78 120.64 109.90 1jty n GLU 90 Ca 0.10 -2.57 -0.32 0.00 0.00 0.00 0.00 57.16 54.36 1jty n GLU 90 Cb 0.52 -1.66 -0.15 0.00 0.00 0.00 0.00 31.44 30.15 1jty n GLU 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1jty s TYR 91 N -1.96 2.68 0.00 -1.84 4.12 -1.26 -4.78 117.35 114.31 1jty s TYR 91 Ca 0.37 -0.56 0.00 0.00 0.02 0.00 0.00 57.07 56.90 1jty s TYR 91 Cb 0.26 -1.72 0.00 0.00 -1.52 0.00 0.00 41.96 38.98 1jty s TYR 91 CO 0.15 -0.12 0.00 0.98 0.02 0.00 0.00 175.55 176.58 1jty n TYR 92 N 3.07 0.00 -0.39 2.71 4.19 -1.26 -4.31 117.16 121.17 1jty n TYR 92 Ca -0.18 0.00 0.32 0.00 3.31 0.00 0.00 57.90 61.36 1jty n TYR 92 Cb 0.52 0.00 0.63 0.00 0.49 0.00 0.00 39.34 40.98 1jty n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jty h TYR 93 N 0.00 0.43 0.00 2.98 0.05 -1.91 -2.22 116.97 116.29 1jty h TYR 93 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1jty h TYR 93 Cb 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.62 1jty h TYR 93 CO 0.00 -0.05 0.00 -2.30 -1.05 0.00 0.00 178.16 174.76 1jty n PRO 94 N -4.51 0.27 -2.04 4.88 -0.02 -1.26 -1.86 135.00 130.47 1jty n PRO 94 Ca 0.31 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.78 1jty n PRO 94 Cb 1.23 -1.30 0.05 0.00 -0.02 0.00 0.00 33.50 33.47 1jty n PRO 94 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1jty n LEU 95 N 0.71 -0.67 0.12 2.45 -0.00 -0.84 -4.60 117.00 114.18 1jty n LEU 95 Ca 0.00 -1.96 0.12 0.00 -0.00 0.00 0.00 56.01 54.17 1jty n LEU 95 Cb 0.12 0.62 0.16 0.00 -0.00 0.00 0.00 43.42 44.32 1jty n LEU 95 CO 0.00 1.31 0.46 -0.61 -0.00 0.00 0.00 177.39 178.55 1jty h GLN 96 N 0.48 0.00 0.22 1.47 5.75 -1.51 -3.10 115.11 118.43 1jty h GLN 96 Ca -0.21 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 57.97 1jty h GLN 96 Cb 1.13 0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.71 1jty h GLN 96 CO -0.09 0.00 -1.43 -0.91 -2.65 0.00 0.00 178.83 173.76 1jty h ASN 97 N 0.00 0.74 -0.30 -0.69 -0.26 -1.93 -2.22 115.58 110.93 1jty h ASN 97 Ca 0.00 -0.79 0.02 0.00 -0.56 0.00 0.00 56.30 54.97 1jty h ASN 97 Cb 0.87 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.88 1jty h ASN 97 CO 0.00 1.62 0.20 0.00 -1.06 0.00 0.00 177.43 178.19 1jty h ALA 98 N 0.27 1.87 -0.06 -0.83 0.00 -1.85 -0.56 119.26 118.11 1jty h ALA 98 Ca -0.23 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1jty h ALA 98 Cb 2.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 1jty h ALA 98 CO 0.26 0.09 -0.82 0.82 0.00 0.00 0.00 179.25 179.61 1jty h ILE 99 N 0.33 1.37 -0.75 0.00 2.04 -1.46 -2.13 117.51 116.92 1jty h ILE 99 Ca 0.12 -2.23 0.05 0.00 1.00 0.00 0.00 64.86 63.79 1jty h ILE 99 Cb 0.07 2.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1jty h ILE 99 CO -0.03 0.67 0.46 0.40 0.00 0.00 0.00 178.15 179.66 1jty h ILE 100 N 0.29 1.05 0.51 -0.67 2.04 -0.48 0.12 117.51 120.37 1jty h ILE 100 Ca -0.05 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1jty h ILE 100 Cb 1.42 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1jty h ILE 100 CO 0.14 0.16 -0.24 -0.33 0.00 0.00 0.00 178.15 177.88 1jty h GLU 101 N 0.86 -0.65 -1.02 2.37 5.08 -1.38 -2.96 114.58 116.88 1jty h GLU 101 Ca 0.32 0.04 0.25 0.00 -1.00 0.00 0.00 59.36 58.97 1jty h GLU 101 Cb 0.10 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.39 1jty h GLU 101 CO -0.15 -0.36 0.63 0.35 -1.00 0.00 0.00 179.01 178.48 1jty h PHE 102 N -0.87 0.88 -0.13 4.33 3.04 -0.88 0.60 116.94 123.91 1jty h PHE 102 Ca -0.07 0.03 0.04 0.00 3.98 0.00 0.00 57.97 61.95 1jty h PHE 102 Cb 0.59 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1jty h PHE 102 CO -0.01 0.08 0.20 1.88 -2.02 0.00 0.00 178.31 178.44 1jty h TYR 103 N 0.52 0.00 0.00 0.41 0.05 -0.60 -2.39 116.97 114.96 1jty h TYR 103 Ca 0.62 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.40 1jty h TYR 103 Cb 1.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.05 1jty h TYR 103 CO -0.00 0.00 -0.41 0.25 -1.05 0.00 0.00 178.16 176.94 1jty n THR 104 N -3.53 0.64 0.16 -2.88 -2.24 0.20 -4.28 114.28 102.34 1jty n THR 104 Ca 0.00 0.35 0.04 0.00 -2.27 0.00 0.00 64.05 62.17 1jty n THR 104 Cb 0.30 -1.86 0.20 0.00 -2.10 0.00 0.00 70.33 66.87 1jty n THR 104 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jty n GLU 105 N -3.33 0.06 -3.00 -0.78 1.02 -0.56 -2.67 120.64 111.38 1jty n GLU 105 Ca -0.06 0.51 -0.15 0.00 -0.02 0.00 0.00 57.16 57.44 1jty n GLU 105 Cb 0.21 -2.16 0.01 0.00 -0.02 0.00 0.00 31.44 29.48 1jty n GLU 105 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1jty n TYR 106 N -1.88 -1.30 -0.97 -0.32 4.02 -0.90 -4.92 117.16 110.88 1jty n TYR 106 Ca -0.00 -2.99 0.04 0.00 -0.01 0.00 0.00 57.90 54.94 1jty n TYR 106 Cb 0.49 0.47 0.06 0.00 -0.02 0.00 0.00 39.34 40.34 1jty n TYR 106 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1jty n TYR 107 N 0.71 0.00 -1.03 -0.72 4.19 -1.09 -4.53 117.16 114.69 1jty n TYR 107 Ca 0.17 -0.57 0.05 0.00 3.31 0.00 0.00 57.90 60.85 1jty n TYR 107 Cb 0.64 -0.09 0.29 0.00 0.49 0.00 0.00 39.34 40.67 1jty n TYR 107 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1jty n LYS 108 N -0.76 3.33 -3.60 2.98 5.02 -1.26 -4.93 118.16 118.94 1jty n LYS 108 Ca 0.07 -2.98 -0.09 0.00 -2.02 0.00 0.00 58.31 53.29 1jty n LYS 108 Cb 0.54 -1.98 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 1jty n LYS 108 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jty s THR 109 N -2.89 -0.61 -0.33 -0.18 -4.23 -1.26 -5.09 115.64 101.04 1jty s THR 109 Ca 0.47 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 61.05 1jty s THR 109 Cb 0.38 -0.67 -0.09 0.00 1.34 0.00 0.00 72.50 73.46 1jty s THR 109 CO 0.10 0.04 1.38 -3.20 -0.54 0.00 0.00 174.62 172.40 1jty n ASN 110 N 5.38 -1.30 0.00 3.99 4.05 -1.26 -3.97 115.26 122.16 1jty n ASN 110 Ca -0.07 -1.46 0.00 0.00 0.45 0.00 0.00 54.58 53.50 1jty n ASN 110 Cb 0.50 -0.80 0.00 0.00 1.23 0.00 0.00 39.78 40.71 1jty n ASN 110 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1jty n SER 111 N 7.49 0.10 -0.09 1.20 7.64 -1.26 -4.46 113.62 124.24 1jty n SER 111 Ca 0.17 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.98 1jty n SER 111 Cb 0.44 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 1jty n SER 111 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1jty h ILE 112 N 0.00 0.35 -0.01 0.44 1.08 -1.85 -1.16 117.51 116.36 1jty h ILE 112 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1jty h ILE 112 Cb 0.03 0.35 0.00 0.00 -3.07 0.00 0.00 36.82 34.12 1jty h ILE 112 CO 0.00 0.00 -0.53 -0.46 -0.69 0.00 0.00 178.15 176.47 1jty n ASN 113 N -5.39 1.55 0.00 1.72 6.94 -1.26 -2.64 115.26 116.18 1jty n ASN 113 Ca 0.01 -1.22 0.00 0.00 -0.02 0.00 0.00 54.58 53.34 1jty n ASN 113 Cb 0.31 0.49 0.00 0.00 -2.36 0.00 0.00 39.78 38.22 1jty n ASN 113 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1jty n GLU 114 N -0.50 0.00 0.09 -3.83 0.00 -0.85 -4.03 120.64 111.52 1jty n GLU 114 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.11 1jty n GLU 114 Cb 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.74 1jty n GLU 114 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1jty h LYS 115 N 0.00 0.23 0.00 5.31 3.64 -1.85 -3.09 116.57 120.81 1jty h LYS 115 Ca 0.00 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1jty h LYS 115 Cb 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1jty h LYS 115 CO 0.00 1.14 0.00 -0.12 -2.27 0.00 0.00 179.45 178.20 1jty n MET 116 N -3.54 0.07 0.05 1.90 1.56 -0.50 -0.42 117.12 116.24 1jty n MET 116 Ca -0.06 0.27 0.00 0.00 -0.27 0.00 0.00 57.70 57.64 1jty n MET 116 Cb 0.96 -1.50 -0.06 0.00 2.15 0.00 0.00 33.22 34.77 1jty n MET 116 CO 0.00 0.00 0.00 -0.97 -0.73 0.00 0.00 175.97 174.27 1jty h ASN 117 N 0.00 0.00 -0.25 6.12 -1.24 -1.41 -2.89 115.58 115.90 1jty h ASN 117 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1jty h ASN 117 Cb 0.08 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1jty h ASN 117 CO 0.00 0.59 0.09 0.50 -1.29 0.00 0.00 177.43 177.32 1jty h LYS 118 N 0.00 0.37 0.01 6.67 3.64 -0.88 -2.75 116.57 123.63 1jty h LYS 118 Ca -0.13 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1jty h LYS 118 Cb 1.56 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1jty h LYS 118 CO 0.05 0.43 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.59 1jty h LEU 119 N 0.24 -0.01 -1.69 5.20 3.38 -1.62 -1.80 115.31 119.01 1jty h LEU 119 Ca 0.08 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.14 1jty h LEU 119 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1jty h LEU 119 CO -0.01 0.06 0.66 -0.08 0.09 0.00 0.00 178.44 179.16 1jty h GLU 120 N -0.07 0.00 0.00 1.13 4.22 -1.38 0.34 114.58 118.81 1jty h GLU 120 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1jty h GLU 120 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1jty h GLU 120 CO 0.00 0.00 -0.27 -0.91 -2.18 0.00 0.00 179.01 175.65 1jty h ASN 121 N 0.00 0.00 -0.53 1.04 4.21 -1.04 -3.30 115.58 115.96 1jty h ASN 121 Ca 0.25 -0.58 -0.03 0.00 1.21 0.00 0.00 56.30 57.16 1jty h ASN 121 Cb 1.56 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.73 1jty h ASN 121 CO -0.00 0.94 0.25 0.50 -1.29 0.00 0.00 177.43 177.82 1jty h LYS 122 N -1.00 0.82 -0.05 0.81 3.64 -0.88 -2.04 116.57 117.86 1jty h LYS 122 Ca -0.06 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1jty h LYS 122 Cb 0.76 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1jty h LYS 122 CO -0.04 0.66 0.05 -0.92 -2.27 0.00 0.00 179.45 176.93 1jty h TYR 123 N 0.81 0.00 -0.10 1.91 3.20 -0.52 -2.04 116.97 120.23 1jty h TYR 123 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1jty h TYR 123 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1jty h TYR 123 CO 0.01 0.00 0.00 0.44 -1.64 0.00 0.00 178.16 176.97 1jty n ILE 124 N -3.88 0.78 0.24 1.81 -6.64 -0.98 -4.73 119.36 105.96 1jty n ILE 124 Ca -0.02 -0.89 -0.14 0.00 -1.77 0.00 0.00 62.75 59.93 1jty n ILE 124 Cb 0.14 0.63 -0.08 0.00 -1.44 0.00 0.00 39.64 38.90 1jty n ILE 124 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 1jty h ASP 125 N 0.74 -0.53 -0.97 7.28 3.58 -0.66 -0.98 116.42 124.89 1jty h ASP 125 Ca 0.00 -0.09 0.26 0.00 0.42 0.00 0.00 57.03 57.62 1jty h ASP 125 Cb 0.49 0.14 -0.13 0.00 1.72 0.00 0.00 39.33 41.54 1jty h ASP 125 CO 0.00 -0.18 0.51 0.00 -2.88 0.00 0.00 179.24 176.70 1jty h ALA 126 N -0.57 1.72 -0.45 -0.78 0.00 -1.85 0.47 119.26 117.80 1jty h ALA 126 Ca -0.06 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1jty h ALA 126 Cb 0.58 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1jty h ALA 126 CO 0.10 -0.39 -0.24 1.88 0.00 0.00 0.00 179.25 180.61 1jty h TYR 127 N 0.43 1.10 -0.17 0.00 0.05 -1.85 -2.53 116.97 113.99 1jty h TYR 127 Ca 0.65 -0.28 0.02 0.00 0.05 0.00 0.00 58.73 59.17 1jty h TYR 127 Cb 1.31 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 1jty h TYR 127 CO -0.06 1.09 0.04 1.25 -1.05 0.00 0.00 178.16 179.44 1jty h HIS 128 N 0.78 0.08 0.00 4.88 2.76 0.13 0.02 115.15 123.80 1jty h HIS 128 Ca 0.10 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1jty h HIS 128 Cb 0.82 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1jty h HIS 128 CO 0.06 0.04 0.00 0.28 -1.30 0.00 0.00 177.93 177.00 1jty n VAL 129 N -5.07 0.00 -0.23 5.26 0.31 -0.12 0.15 118.33 118.63 1jty n VAL 129 Ca -0.03 1.38 -0.06 0.00 -0.01 0.00 0.00 64.34 65.62 1jty n VAL 129 Cb 0.07 -2.27 -0.05 0.00 -0.91 0.00 0.00 33.84 30.68 1jty n VAL 129 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1jty n ILE 130 N -1.82 -0.37 0.31 2.52 5.41 -0.96 0.81 119.36 125.26 1jty n ILE 130 Ca 0.00 1.32 -0.17 0.00 1.00 0.00 0.00 62.75 64.91 1jty n ILE 130 Cb 0.00 -1.64 -0.09 0.00 -0.71 0.00 0.00 39.64 37.21 1jty n ILE 130 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1jty h PHE 131 N 0.00 -0.71 -0.12 1.39 0.04 -0.92 -1.26 116.94 115.36 1jty h PHE 131 Ca 0.09 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.88 1jty h PHE 131 Cb 0.23 0.23 -0.07 0.00 2.20 0.00 0.00 35.95 38.55 1jty h PHE 131 CO -0.56 -0.41 -0.48 -0.22 -0.60 0.00 0.00 178.31 176.03 1jty h LYS 132 N -0.83 -0.53 0.00 1.51 1.63 0.38 0.64 116.57 119.37 1jty h LYS 132 Ca -0.08 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1jty h LYS 132 Cb 0.61 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1jty h LYS 132 CO 0.13 -0.35 0.00 -1.91 -3.45 0.00 0.00 179.45 173.87 1jty n GLU 133 N -5.44 0.04 0.07 1.90 4.07 0.24 -0.57 120.64 120.94 1jty n GLU 133 Ca -0.05 0.30 -0.12 0.00 -0.06 0.00 0.00 57.16 57.23 1jty n GLU 133 Cb 0.37 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.12 1jty n GLU 133 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1jty h GLY 134 N 0.60 0.16 0.92 8.31 0.00 0.15 -2.62 103.07 110.60 1jty h GLY 134 Ca 0.00 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1jty h GLY 134 CO 0.00 0.37 -0.01 3.43 0.00 0.00 0.00 176.54 180.32 1jty h ASN 135 N 0.04 0.63 0.00 0.19 2.35 -0.35 0.16 115.58 118.60 1jty h ASN 135 Ca -0.13 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1jty h ASN 135 Cb 1.92 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 40.12 1jty h ASN 135 CO 0.15 0.80 0.00 0.18 -1.65 0.00 0.00 177.43 176.91 1jty n LEU 136 N -4.48 0.00 0.00 1.61 4.32 -1.17 -0.79 117.00 116.50 1jty n LEU 136 Ca -0.02 0.96 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 1jty n LEU 136 Cb 0.29 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1jty n LEU 136 CO 0.40 -0.46 0.45 -3.20 -1.22 0.00 0.00 177.39 173.36 1jty n ASN 137 N -2.07 0.00 -1.34 -1.43 5.15 -0.99 -4.75 115.26 109.83 1jty n ASN 137 Ca 0.00 0.34 -0.17 0.00 -0.60 0.00 0.00 54.58 54.15 1jty n ASN 137 Cb 0.00 -0.34 -0.07 0.00 -0.53 0.00 0.00 39.78 38.84 1jty n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jty n GLY 138 N -1.32 1.61 0.33 8.20 0.00 0.44 -4.80 105.19 109.65 1jty n GLY 138 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1jty n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jty h GLU 139 N 0.00 0.00 0.00 1.61 5.08 -1.43 -3.44 114.58 116.40 1jty h GLU 139 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1jty h GLU 139 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jty h GLU 139 CO 0.51 0.00 0.00 -2.67 -1.00 0.00 0.00 179.01 175.85 1jty n TRP 140 N -2.92 -0.26 -3.23 4.33 2.14 -1.23 -4.95 117.44 111.33 1jty n TRP 140 Ca -0.02 0.00 0.04 0.00 2.07 0.00 0.00 57.50 59.58 1jty n TRP 140 Cb 0.29 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.77 1jty n TRP 140 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1jty s SER 141 N 0.41 -0.93 -0.11 -0.67 1.04 -1.26 -4.20 113.70 107.99 1jty s SER 141 Ca 0.00 0.71 -0.02 0.00 0.48 0.00 0.00 55.95 57.13 1jty s SER 141 Cb 0.00 1.83 -0.03 0.00 0.10 0.00 0.00 66.02 67.92 1jty s SER 141 CO 0.00 -0.17 -0.04 -0.63 0.98 0.00 0.00 173.24 173.38 1jty s ILE 142 N 2.84 3.94 -0.51 -1.02 1.01 -1.26 -4.95 121.20 121.26 1jty s ILE 142 Ca 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1jty s ILE 142 Cb -0.12 -2.67 0.58 0.00 0.01 0.00 0.00 42.46 40.27 1jty s ILE 142 CO -0.17 0.56 1.90 -0.46 0.00 0.00 0.00 174.94 176.78 1jty n ASN 143 N 2.71 4.97 -1.10 3.58 2.04 -1.26 -4.27 115.26 121.93 1jty n ASN 143 Ca -0.18 -3.69 -0.01 0.00 -0.44 0.00 0.00 54.58 50.27 1jty n ASN 143 Cb 0.53 -0.86 0.00 0.00 -2.53 0.00 0.00 39.78 36.93 1jty n ASN 143 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1jty n ASP 144 N -1.06 -0.22 -0.33 0.53 3.85 -1.26 -5.03 116.55 113.03 1jty n ASP 144 Ca 0.59 -0.75 0.26 0.00 -0.71 0.00 0.00 54.79 54.18 1jty n ASP 144 Cb 1.28 0.09 0.40 0.00 -1.35 0.00 0.00 41.12 41.54 1jty n ASP 144 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1jty n VAL 145 N -0.13 0.00 -0.08 2.12 0.31 -1.26 0.76 118.33 120.05 1jty n VAL 145 Ca -0.04 0.81 -0.13 0.00 -0.01 0.00 0.00 64.34 64.96 1jty n VAL 145 Cb 0.44 -1.37 -0.01 0.00 -0.91 0.00 0.00 33.84 31.98 1jty n VAL 145 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1jty h ASN 146 N 0.00 0.93 0.60 4.52 2.35 -1.96 -1.90 115.58 120.11 1jty h ASN 146 Ca 0.46 -0.47 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1jty h ASN 146 Cb 2.01 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 40.12 1jty h ASN 146 CO -0.00 1.25 -0.29 0.00 -1.65 0.00 0.00 177.43 176.74 1jty h ALA 147 N 0.77 -0.80 -0.97 -0.83 0.00 -0.09 -2.71 119.26 114.63 1jty h ALA 147 Ca 0.03 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.98 1jty h ALA 147 Cb 1.08 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 19.10 1jty h ALA 147 CO 0.11 -0.75 0.62 0.28 0.00 0.00 0.00 179.25 179.51 1jty h VAL 148 N -1.21 0.65 -0.13 0.00 2.07 -1.65 0.70 116.25 116.68 1jty h VAL 148 Ca -0.08 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1jty h VAL 148 Cb 0.62 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1jty h VAL 148 CO 0.13 0.09 0.05 0.28 0.02 0.00 0.00 177.57 178.14 1jty h SER 149 N 0.49 0.19 -0.54 0.57 0.02 -1.32 0.13 113.55 113.09 1jty h SER 149 Ca 0.53 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.23 1jty h SER 149 Cb 1.20 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1jty h SER 149 CO -0.25 0.33 0.11 0.11 -1.14 0.00 0.00 176.83 175.98 1jty h LYS 150 N 0.04 0.88 0.07 3.45 1.57 -0.91 -2.11 116.57 119.57 1jty h LYS 150 Ca 0.04 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1jty h LYS 150 Cb 0.20 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1jty h LYS 150 CO -0.00 0.84 -0.09 0.82 -0.57 0.00 0.00 179.45 180.45 1jty h ILE 151 N 0.77 0.00 -0.75 1.86 2.04 -0.69 -2.48 117.51 118.27 1jty h ILE 151 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.10 1jty h ILE 151 Cb 0.38 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.36 1jty h ILE 151 CO 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 178.15 177.65 1jty h ALA 152 N -1.56 -0.53 -0.93 1.87 0.00 -0.75 -2.07 119.26 115.30 1jty h ALA 152 Ca -0.01 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1jty h ALA 152 Cb 0.15 1.27 -0.13 0.00 0.00 0.00 0.00 17.79 19.08 1jty h ALA 152 CO -0.02 -0.86 -0.45 0.00 0.00 0.00 0.00 179.25 177.92 1jty n ALA 153 N -3.17 -0.34 0.18 0.00 0.00 -0.79 -1.15 120.51 115.23 1jty n ALA 153 Ca 0.01 0.86 -0.13 0.00 0.00 0.00 0.00 53.44 54.17 1jty n ALA 153 Cb 0.24 -0.28 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 1jty n ALA 153 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jty h ASN 154 N 0.00 -0.41 -0.55 0.00 -0.26 -0.95 -0.79 115.58 112.63 1jty h ASN 154 Ca 0.24 -0.14 0.07 0.00 -0.56 0.00 0.00 56.30 55.90 1jty h ASN 154 Cb 0.47 0.11 -0.09 0.00 -1.06 0.00 0.00 38.32 37.74 1jty h ASN 154 CO -0.90 -0.05 -0.53 0.00 -1.06 0.00 0.00 177.43 174.89 1jty h ALA 155 N -0.36 -0.63 -0.67 -0.83 0.00 -0.94 0.60 119.26 116.43 1jty h ALA 155 Ca -0.05 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.05 1jty h ALA 155 Cb 0.53 1.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.34 1jty h ALA 155 CO 0.08 -0.98 0.11 0.28 0.00 0.00 0.00 179.25 178.74 1jty h VAL 156 N -0.29 0.53 -0.01 0.00 2.07 -1.17 0.54 116.25 117.93 1jty h VAL 156 Ca 0.11 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1jty h VAL 156 Cb 0.56 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1jty h VAL 156 CO -0.68 0.04 0.00 -1.13 0.02 0.00 0.00 177.57 175.83 1jty h ASN 157 N 0.22 0.00 -0.05 0.57 -0.00 0.15 -0.87 115.58 115.60 1jty h ASN 157 Ca 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.62 1jty h ASN 157 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.92 1jty h ASN 157 CO -0.50 0.00 -0.17 1.23 -0.00 0.00 0.00 177.43 177.99 1jty h GLY 158 N 0.00 0.21 1.22 1.57 0.00 0.45 0.08 103.07 106.60 1jty h GLY 158 Ca 0.00 -0.29 0.11 0.00 0.00 0.00 0.00 47.33 47.16 1jty h GLY 158 CO -0.00 0.26 0.28 -2.22 0.00 0.00 0.00 176.54 174.86 1jty h ILE 159 N -0.35 0.77 0.03 2.60 2.04 0.09 -0.49 117.51 122.19 1jty h ILE 159 Ca -0.01 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 1jty h ILE 159 Cb 0.81 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1jty h ILE 159 CO 0.04 0.00 -0.65 0.58 0.00 0.00 0.00 178.15 178.11 1jty h VAL 160 N 0.00 1.40 0.35 1.67 2.07 -1.06 -3.35 116.25 117.33 1jty h VAL 160 Ca 0.18 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 65.36 1jty h VAL 160 Cb 0.75 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.45 1jty h VAL 160 CO -0.00 0.54 -0.17 0.74 0.02 0.00 0.00 177.57 178.70 1jty h THR 161 N -0.85 0.57 0.00 2.57 2.02 -0.61 -3.31 112.91 113.31 1jty h THR 161 Ca -0.16 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1jty h THR 161 Cb 1.26 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1jty h THR 161 CO -0.04 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.44 1jty n PHE 162 N -5.13 0.00 -0.67 3.16 3.72 -0.23 -3.24 117.46 115.07 1jty n PHE 162 Ca -0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.34 1jty n PHE 162 Cb 0.27 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.86 1jty n PHE 162 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jty n THR 163 N -0.75 1.03 0.00 4.37 -2.24 -1.25 -4.79 114.28 110.65 1jty n THR 163 Ca 0.09 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1jty n THR 163 Cb 0.04 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1jty n THR 163 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jty n HIS 164 N -0.67 0.00 -0.03 4.78 -0.00 -1.20 -3.19 115.22 114.91 1jty n HIS 164 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.75 1jty n HIS 164 Cb 0.45 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.99 30.33 1jty n HIS 164 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 1jty h GLU 165 N 0.00 0.00 -6.27 1.57 4.11 -1.89 -3.48 114.58 108.62 1jty h GLU 165 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.84 1jty h GLU 165 Cb 0.04 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.46 1jty h GLU 165 CO 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 179.01 178.38 1jty n GLN 166 N -3.17 0.31 -1.08 1.06 0.00 -1.19 -4.81 117.38 108.50 1jty n GLN 166 Ca -0.02 0.12 -0.36 0.00 0.00 0.00 0.00 57.00 56.74 1jty n GLN 166 Cb 0.09 -1.38 0.06 0.00 0.00 0.00 0.00 30.24 29.01 1jty n GLN 166 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1jty n ASN 167 N 1.45 -3.37 0.24 2.61 6.94 -1.26 -4.74 115.26 117.13 1jty n ASN 167 Ca 0.10 0.42 0.07 0.00 -0.02 0.00 0.00 54.58 55.15 1jty n ASN 167 Cb 0.45 -1.00 0.56 0.00 -2.36 0.00 0.00 39.78 37.44 1jty n ASN 167 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 1jty h ILE 168 N -0.74 1.07 0.12 1.53 6.09 -1.95 -2.94 117.51 120.69 1jty h ILE 168 Ca -0.44 -0.37 -0.27 0.00 -1.37 0.00 0.00 64.86 62.41 1jty h ILE 168 Cb 1.34 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.83 1jty h ILE 168 CO 0.35 0.11 -1.25 -1.13 -3.07 0.00 0.00 178.15 173.16 1jty h ASN 169 N 0.00 0.41 -0.03 2.19 -0.00 -2.00 -3.00 115.58 113.15 1jty h ASN 169 Ca -0.00 -0.44 0.02 0.00 -0.00 0.00 0.00 56.30 55.87 1jty h ASN 169 Cb 0.19 -0.13 -0.02 0.00 -0.00 0.00 0.00 38.32 38.36 1jty h ASN 169 CO 0.01 1.35 -0.07 -0.08 -0.00 0.00 0.00 177.43 178.64 1jty h GLU 170 N 0.07 -0.10 -0.34 6.67 4.81 -1.87 -2.63 114.58 121.18 1jty h GLU 170 Ca -0.13 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1jty h GLU 170 Cb 1.97 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 31.29 1jty h GLU 170 CO 0.20 -0.07 -0.44 0.00 -0.73 0.00 0.00 179.01 177.97 1jty h ARG 171 N -0.10 -0.36 -0.95 1.92 2.47 -1.56 -1.28 114.38 114.51 1jty h ARG 171 Ca 0.04 0.02 0.18 0.00 -1.26 0.00 0.00 59.98 58.96 1jty h ARG 171 Cb 0.15 0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 28.47 1jty h ARG 171 CO -0.09 -0.24 0.60 0.82 0.56 0.00 0.00 179.97 181.63 1jty h ILE 172 N -0.37 0.75 0.53 2.04 1.08 -1.37 -1.52 117.51 118.64 1jty h ILE 172 Ca 0.12 -0.23 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1jty h ILE 172 Cb 0.60 0.02 0.01 0.00 -3.07 0.00 0.00 36.82 34.37 1jty h ILE 172 CO -0.54 0.12 -0.25 0.11 -0.69 0.00 0.00 178.15 176.90 1jty h LYS 173 N 0.67 -0.68 -0.25 2.37 1.79 -0.89 -2.77 116.57 116.81 1jty h LYS 173 Ca 0.51 0.05 0.04 0.00 -2.18 0.00 0.00 60.65 59.07 1jty h LYS 173 Cb 0.91 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.64 1jty h LYS 173 CO -0.27 -0.38 -0.51 -0.07 -1.08 0.00 0.00 179.45 177.14 1jty h LEU 174 N -0.93 -1.65 -1.70 2.94 3.38 -0.84 -0.36 115.31 116.16 1jty h LEU 174 Ca -0.07 0.21 0.26 0.00 0.09 0.00 0.00 57.88 58.37 1jty h LEU 174 Cb 0.62 0.67 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 1jty h LEU 174 CO 0.12 -0.44 0.67 -0.03 0.09 0.00 0.00 178.44 178.85 1jty h MET 175 N -0.48 0.20 0.03 1.13 4.05 -1.35 0.36 114.93 118.87 1jty h MET 175 Ca 0.07 -0.01 -0.22 0.00 -0.28 0.00 0.00 59.70 59.25 1jty h MET 175 Cb 0.64 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 1jty h MET 175 CO -0.50 0.13 -0.97 -0.91 0.23 0.00 0.00 176.91 174.90 1jty h ASN 176 N 0.21 0.35 0.79 1.39 2.35 -0.81 -2.32 115.58 117.54 1jty h ASN 176 Ca 0.50 -0.31 -0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1jty h ASN 176 Cb 1.61 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.86 1jty h ASN 176 CO -0.13 1.14 -0.20 0.50 -1.65 0.00 0.00 177.43 177.09 1jty h LYS 177 N 0.13 0.00 0.00 0.81 1.63 0.85 -2.31 116.57 117.68 1jty h LYS 177 Ca -0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1jty h LYS 177 Cb 1.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.26 1jty h LYS 177 CO 0.16 0.20 0.00 0.34 -3.45 0.00 0.00 179.45 176.70 1jty n PHE 178 N -3.44 0.00 -0.37 1.91 7.35 0.24 -2.66 117.46 120.49 1jty n PHE 178 Ca -0.00 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 57.01 1jty n PHE 178 Cb 0.39 -0.44 0.59 0.00 0.35 0.00 0.00 39.48 40.36 1jty n PHE 178 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1jty h SER 179 N 0.00 0.33 0.40 -2.13 0.02 -1.38 0.50 113.55 111.30 1jty h SER 179 Ca 0.00 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1jty h SER 179 Cb 0.00 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1jty h SER 179 CO 0.00 -0.29 -0.28 -0.61 -1.14 0.00 0.00 176.83 174.51 1jty h GLN 180 N 0.09 -0.64 -0.01 3.45 4.15 -1.45 -1.32 115.11 119.38 1jty h GLN 180 Ca 0.82 0.04 0.01 0.00 0.77 0.00 0.00 58.65 60.29 1jty h GLN 180 Cb 2.26 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 30.09 1jty h GLN 180 CO -0.62 -0.43 -0.03 0.82 -1.93 0.00 0.00 178.83 176.64 1jty h ILE 181 N -0.67 0.92 0.26 2.39 2.04 0.17 -1.52 117.51 121.10 1jty h ILE 181 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1jty h ILE 181 Cb 0.57 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1jty h ILE 181 CO 0.02 0.00 -0.18 0.15 0.00 0.00 0.00 178.15 178.14 1jty h PHE 182 N -0.05 -0.48 -1.02 1.37 3.57 -1.08 0.24 116.94 119.48 1jty h PHE 182 Ca 0.02 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.78 1jty h PHE 182 Cb 0.07 0.18 -0.12 0.00 2.79 0.00 0.00 35.95 38.87 1jty h PHE 182 CO -0.11 -0.26 0.62 -0.07 -2.23 0.00 0.00 178.31 176.26 1jty h LEU 183 N -0.42 0.59 -0.73 0.59 3.38 -1.29 0.92 115.31 118.35 1jty h LEU 183 Ca -0.04 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1jty h LEU 183 Cb 0.34 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jty h LEU 183 CO 0.02 0.06 -0.08 -1.13 0.09 0.00 0.00 178.44 177.41 1jty h ASN 184 N 0.49 0.00 1.49 -0.43 -1.24 -0.99 -2.67 115.58 112.24 1jty h ASN 184 Ca 0.65 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.66 1jty h ASN 184 Cb 1.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.43 1jty h ASN 184 CO -0.45 0.08 -0.21 1.23 -1.29 0.00 0.00 177.43 176.79 1jty h GLY 185 N 2.91 0.00 0.04 1.57 0.00 0.43 -3.35 103.07 104.67 1jty h GLY 185 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jty h GLY 185 CO 0.01 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.95 1jty h LEU 186 N 0.00 -0.03 0.00 3.11 3.38 -0.97 -3.51 115.31 117.29 1jty h LEU 186 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1jty h LEU 186 Cb 0.85 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1jty h LEU 186 CO 0.00 0.57 0.00 -1.54 0.09 0.00 0.00 178.44 177.56