#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb0 s GLN 2 N 0.00 3.74 0.17 0.03 2.00 -1.26 -5.09 119.66 119.25 2kb0 s GLN 2 Ca 0.00 0.14 0.03 0.00 -2.00 0.00 0.00 55.36 53.53 2kb0 s GLN 2 Cb 0.00 -3.23 -0.05 0.00 0.80 0.00 0.00 33.01 30.53 2kb0 s GLN 2 CO 0.00 0.68 -0.05 -0.08 -0.50 0.00 0.00 175.29 175.35 2kb0 s THR 3 N -0.89 0.94 -0.20 -0.34 -1.32 -1.26 -4.33 115.64 108.23 2kb0 s THR 3 Ca 0.19 -2.02 -0.02 0.00 -1.21 0.00 0.00 61.69 58.64 2kb0 s THR 3 Cb -0.14 -2.01 0.00 0.00 -1.51 0.00 0.00 72.50 68.84 2kb0 s THR 3 CO 0.08 -0.59 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.16 2kb0 s ILE 4 N -3.48 2.79 -0.16 5.08 -1.09 -1.20 -5.06 121.20 118.08 2kb0 s ILE 4 Ca 0.21 -0.70 -0.13 0.00 -2.23 0.00 0.00 60.65 57.80 2kb0 s ILE 4 Cb 0.05 -2.24 -0.05 0.00 -1.58 0.00 0.00 42.46 38.64 2kb0 s ILE 4 CO 0.03 0.47 0.26 -0.54 -1.23 0.00 0.00 174.94 173.93 2kb0 s LYS 5 N 1.39 4.21 -0.13 2.79 1.02 -1.26 -3.01 119.74 124.75 2kb0 s LYS 5 Ca 0.05 0.04 -0.11 0.00 0.02 0.00 0.00 55.97 55.97 2kb0 s LYS 5 Cb -0.14 -3.41 0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2kb0 s LYS 5 CO -0.08 0.28 0.34 0.00 -0.92 0.00 0.00 175.35 174.97 2kb0 s VAL 7 N 0.42 3.26 0.01 0.00 1.01 -1.19 -2.02 120.40 121.89 2kb0 s VAL 7 Ca -0.02 -0.64 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2kb0 s VAL 7 Cb -0.04 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2kb0 s VAL 7 CO -0.02 0.58 -0.25 0.54 0.00 0.00 0.00 175.10 175.95 2kb0 s VAL 8 N -0.58 2.00 0.01 2.92 0.11 -0.62 -1.47 120.40 122.75 2kb0 s VAL 8 Ca 0.08 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 2kb0 s VAL 8 Cb -0.11 -1.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.05 2kb0 s VAL 8 CO 0.01 0.45 -0.01 0.54 -3.33 0.00 0.00 175.10 172.77 2kb0 s VAL 9 N -0.68 0.04 0.13 2.04 0.11 -1.21 -3.98 120.40 116.86 2kb0 s VAL 9 Ca 0.10 -0.31 -0.02 0.00 -2.93 0.00 0.00 61.98 58.82 2kb0 s VAL 9 Cb -0.10 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 2kb0 s VAL 9 CO 0.00 -0.17 0.08 -0.83 -3.33 0.00 0.00 175.10 170.85 2kb0 s GLY 10 N -0.50 0.95 -0.29 6.54 0.00 -1.26 -3.13 107.32 109.63 2kb0 s GLY 10 Ca -0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 44.72 43.00 2kb0 s GLY 10 CO -0.00 -1.32 0.85 -0.35 0.00 0.00 0.00 173.10 172.27 2kb0 s ASP 11 N -3.04 6.75 0.98 1.64 2.15 -1.26 -4.75 116.67 119.14 2kb0 s ASP 11 Ca 0.24 0.83 0.00 0.00 0.43 0.00 0.00 52.55 54.04 2kb0 s ASP 11 Cb 0.07 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.25 2kb0 s ASP 11 CO 0.02 -0.63 0.00 0.61 -0.17 0.00 0.00 175.17 175.00 2kb0 n GLY 12 N 4.02 1.42 0.28 2.66 0.00 -1.26 -4.70 105.19 107.61 2kb0 n GLY 12 Ca 0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2kb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb0 n ALA 13 N 7.15 0.00 -0.72 4.61 0.00 -1.26 -5.05 120.51 125.24 2kb0 n ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kb0 n ALA 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kb0 n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kb0 n VAL 14 N -2.05 0.00 -0.62 0.00 0.31 -1.26 0.11 118.33 114.82 2kb0 n VAL 14 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2kb0 n VAL 14 Cb 0.00 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.14 2kb0 n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kb0 n GLY 15 N 0.00 3.40 0.35 2.92 0.00 -1.26 -4.45 105.19 106.15 2kb0 n GLY 15 Ca 0.00 -0.79 0.10 0.00 0.00 0.00 0.00 46.02 45.33 2kb0 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kb0 h LYS 16 N 1.73 0.49 -0.45 1.61 3.64 -0.74 0.45 116.57 123.30 2kb0 h LYS 16 Ca 0.29 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 2kb0 h LYS 16 Cb 2.12 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 33.81 2kb0 h LYS 16 CO 0.66 0.33 -0.11 1.79 -2.27 0.00 0.00 179.45 179.85 2kb0 h THR 17 N 0.51 1.26 -0.05 1.00 1.35 -1.82 -2.47 112.91 112.69 2kb0 h THR 17 Ca 0.28 -1.19 -0.08 0.00 -0.55 0.00 0.00 66.41 64.87 2kb0 h THR 17 Cb 0.42 1.03 -0.01 0.00 -1.73 0.00 0.00 68.15 67.86 2kb0 h THR 17 CO -0.08 0.41 -0.34 0.00 -0.25 0.00 0.00 175.52 175.25 2kb0 h LEU 19 N 0.08 0.53 -0.02 0.00 5.85 -0.91 -1.86 115.31 118.97 2kb0 h LEU 19 Ca 0.01 -0.48 -0.15 0.00 0.84 0.00 0.00 57.88 58.10 2kb0 h LEU 19 Cb 0.64 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.53 2kb0 h LEU 19 CO 0.05 0.90 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.42 2kb0 h LEU 20 N 0.16 0.53 -1.33 2.25 3.38 -1.37 -3.16 115.31 115.77 2kb0 h LEU 20 Ca 0.03 -0.73 -0.06 0.00 0.09 0.00 0.00 57.88 57.21 2kb0 h LEU 20 Cb 0.76 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kb0 h LEU 20 CO 0.05 1.19 -0.14 -0.29 0.09 0.00 0.00 178.44 179.34 2kb0 h ILE 21 N -0.08 1.19 0.00 1.22 6.09 -1.27 -2.03 117.51 122.63 2kb0 h ILE 21 Ca -0.06 -0.85 -0.06 0.00 -1.37 0.00 0.00 64.86 62.51 2kb0 h ILE 21 Cb 1.26 1.21 -0.01 0.00 0.47 0.00 0.00 36.82 39.75 2kb0 h ILE 21 CO 0.11 0.27 -0.30 0.77 -3.07 0.00 0.00 178.15 175.93 2kb0 h SER 22 N 0.27 0.00 0.03 2.19 4.64 -1.37 -0.48 113.55 118.83 2kb0 h SER 22 Ca 0.05 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.19 2kb0 h SER 22 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2kb0 h SER 22 CO 0.02 0.30 -0.74 0.22 -0.87 0.00 0.00 176.83 175.77 2kb0 h TYR 23 N 0.00 0.69 -0.02 4.77 3.20 -1.34 0.43 116.97 124.70 2kb0 h TYR 23 Ca -0.00 -0.39 -0.13 0.00 3.14 0.00 0.00 58.73 61.35 2kb0 h TYR 23 Cb 0.57 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.77 2kb0 h TYR 23 CO 0.00 1.23 -0.48 1.79 -1.64 0.00 0.00 178.16 179.05 2kb0 h THR 24 N -0.05 1.45 0.00 1.81 1.35 -1.35 -3.31 112.91 112.81 2kb0 h THR 24 Ca -0.10 -1.99 -0.08 0.00 -0.55 0.00 0.00 66.41 63.69 2kb0 h THR 24 Cb 1.45 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 70.43 2kb0 h THR 24 CO 0.14 0.57 -0.77 0.71 -0.25 0.00 0.00 175.52 175.92 2kb0 h THR 25 N -0.18 0.40 -4.73 6.82 1.35 -1.23 -3.47 112.91 111.87 2kb0 h THR 25 Ca -0.06 -1.64 -0.40 0.00 -0.55 0.00 0.00 66.41 63.77 2kb0 h THR 25 Cb 1.19 2.02 0.03 0.00 -1.73 0.00 0.00 68.15 69.67 2kb0 h THR 25 CO 0.10 0.23 -0.60 0.59 -0.25 0.00 0.00 175.52 175.58 2kb0 n ASN 26 N -2.98 -5.63 -3.45 5.36 3.02 0.14 -4.93 115.26 106.79 2kb0 n ASN 26 Ca -0.01 -0.32 -0.27 0.00 -0.03 0.00 0.00 54.58 53.95 2kb0 n ASN 26 Cb 0.68 -4.56 -0.10 0.00 -0.61 0.00 0.00 39.78 35.19 2kb0 n ASN 26 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2kb0 s LYS 27 N -5.79 0.98 0.23 3.52 1.02 -1.25 -4.97 119.74 113.49 2kb0 s LYS 27 Ca 0.33 -2.10 -0.07 0.00 0.02 0.00 0.00 55.97 54.15 2kb0 s LYS 27 Cb -0.15 -1.57 0.26 0.00 -0.52 0.00 0.00 37.83 35.84 2kb0 s LYS 27 CO 0.41 -1.35 1.87 0.35 -0.92 0.00 0.00 175.35 175.71 2kb0 h PHE 28 N 5.81 1.01 0.00 3.18 3.57 -1.86 -0.39 116.94 128.26 2kb0 h PHE 28 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2kb0 h PHE 28 Cb 0.91 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2kb0 h PHE 28 CO 0.32 0.58 0.00 -2.30 -2.23 0.00 0.00 178.31 174.68 2kb0 n PRO 29 N -4.57 0.02 -0.36 6.41 -0.02 -1.26 -3.07 135.00 132.15 2kb0 n PRO 29 Ca 0.10 0.47 0.33 0.00 -2.02 0.00 0.00 63.50 62.38 2kb0 n PRO 29 Cb 0.09 -1.56 0.67 0.00 -0.02 0.00 0.00 33.50 32.69 2kb0 n PRO 29 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kb0 h SER 30 N 0.00 0.17 0.00 2.55 0.87 -1.48 -3.43 113.55 112.24 2kb0 h SER 30 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2kb0 h SER 30 Cb 0.05 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2kb0 h SER 30 CO 0.00 0.00 0.00 1.21 -0.53 0.00 0.00 176.83 177.51 2kb0 n GLU 31 N -4.37 0.00 0.00 2.24 4.07 -1.18 -4.69 120.64 116.72 2kb0 n GLU 31 Ca 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.38 2kb0 n GLU 31 Cb 1.21 -1.37 0.00 0.00 -0.06 0.00 0.00 31.44 31.22 2kb0 n GLU 31 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2kb0 n TYR 32 N 0.00 0.00 -2.05 4.31 4.01 -1.26 -4.95 117.16 117.22 2kb0 n TYR 32 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 2kb0 n TYR 32 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 2kb0 n TYR 32 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2kb0 n VAL 33 N -0.42 -3.58 -1.75 -0.72 0.31 -1.26 -4.96 118.33 105.96 2kb0 n VAL 33 Ca 0.00 -0.42 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 2kb0 n VAL 33 Cb 0.00 -4.11 -0.03 0.00 -0.91 0.00 0.00 33.84 28.79 2kb0 n VAL 33 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2kb0 s PRO 34 N -3.43 4.13 -0.97 5.55 0.04 -1.26 -4.89 135.00 134.16 2kb0 s PRO 34 Ca 0.14 2.59 -0.04 0.00 0.04 0.00 0.00 61.00 63.73 2kb0 s PRO 34 Cb -0.02 -3.07 0.12 0.00 0.04 0.00 0.00 34.50 31.57 2kb0 s PRO 34 CO 0.23 -0.73 2.48 0.00 0.04 0.00 0.00 177.00 179.02 2kb0 n ALA 35 N 3.76 6.63 -2.80 8.56 0.00 -1.26 -4.91 120.51 130.48 2kb0 n ALA 35 Ca 0.15 -3.75 -0.32 0.00 0.00 0.00 0.00 53.44 49.53 2kb0 n ALA 35 Cb 0.36 -2.48 -0.16 0.00 0.00 0.00 0.00 19.45 17.16 2kb0 n ALA 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kb0 s VAL 36 N -1.88 2.14 0.00 0.00 1.01 -1.26 -5.03 120.40 115.38 2kb0 s VAL 36 Ca 0.55 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2kb0 s VAL 36 Cb 0.26 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.86 2kb0 s VAL 36 CO -0.15 0.57 0.00 0.49 0.00 0.00 0.00 175.10 176.00 2kb0 n PHE 37 N 3.01 0.00 -3.57 5.22 3.72 -1.26 -5.02 117.46 119.56 2kb0 n PHE 37 Ca -0.18 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.99 2kb0 n PHE 37 Cb 0.52 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.11 2kb0 n PHE 37 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2kb0 n ASP 38 N 0.00 -4.29 -0.76 4.37 8.00 -1.26 -4.27 116.55 118.34 2kb0 n ASP 38 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2kb0 n ASP 38 Cb 0.00 -4.11 0.00 0.00 -0.02 0.00 0.00 41.12 36.99 2kb0 n ASP 38 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kb0 n ASN 39 N -2.95 -1.01 -4.57 -2.24 2.85 -1.26 -5.10 115.26 100.97 2kb0 n ASN 39 Ca -0.16 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.00 2kb0 n ASN 39 Cb 0.63 -0.51 -0.11 0.00 1.24 0.00 0.00 39.78 41.04 2kb0 n ASN 39 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2kb0 s TYR 40 N -1.85 2.82 0.05 1.20 5.04 -1.26 -5.11 117.35 118.24 2kb0 s TYR 40 Ca 0.00 -0.09 0.09 0.00 -2.44 0.00 0.00 57.07 54.63 2kb0 s TYR 40 Cb 0.00 -1.56 -0.03 0.00 0.35 0.00 0.00 41.96 40.72 2kb0 s TYR 40 CO 0.00 0.36 -0.24 0.00 -1.34 0.00 0.00 175.55 174.34 2kb0 s ALA 41 N -1.03 2.04 -0.08 3.97 0.00 -1.26 -3.89 121.76 121.52 2kb0 s ALA 41 Ca 0.18 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.96 2kb0 s ALA 41 Cb -0.11 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kb0 s ALA 41 CO 0.08 0.47 -0.16 0.08 0.00 0.00 0.00 175.76 176.24 2kb0 s VAL 42 N -0.84 1.42 -0.20 0.00 1.01 -0.99 -5.02 120.40 115.77 2kb0 s VAL 42 Ca 0.10 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.26 2kb0 s VAL 42 Cb -0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 2kb0 s VAL 42 CO 0.02 0.42 0.47 -0.89 0.00 0.00 0.00 175.10 175.12 2kb0 s THR 43 N 0.60 5.14 0.16 3.92 2.01 -1.26 -1.48 115.64 124.72 2kb0 s THR 43 Ca -0.15 0.85 0.05 0.00 0.31 0.00 0.00 61.69 62.75 2kb0 s THR 43 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2kb0 s THR 43 CO 0.05 0.20 -0.12 0.68 -0.69 0.00 0.00 174.62 174.74 2kb0 s VAL 44 N 1.56 1.31 -0.08 3.82 -7.23 0.11 -4.98 120.40 114.92 2kb0 s VAL 44 Ca 0.22 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2kb0 s VAL 44 Cb -0.15 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2kb0 s VAL 44 CO 0.09 -0.67 -0.12 -0.04 -0.31 0.00 0.00 175.10 174.05 2kb0 s MET 45 N -3.59 2.83 -0.07 4.82 -1.94 -1.26 0.11 119.30 120.20 2kb0 s MET 45 Ca 0.17 -0.66 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 2kb0 s MET 45 Cb 0.01 -2.51 0.02 0.00 2.01 0.00 0.00 34.83 34.36 2kb0 s MET 45 CO 0.02 0.51 -0.07 0.42 -0.01 0.00 0.00 175.02 175.89 2kb0 s ILE 46 N -0.42 0.80 -0.75 2.53 1.01 0.36 -4.72 121.20 120.02 2kb0 s ILE 46 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2kb0 s ILE 46 Cb -0.12 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2kb0 s ILE 46 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.87 2kb0 n GLY 47 N 4.24 0.85 1.34 6.18 0.00 -1.26 -1.73 105.19 114.81 2kb0 n GLY 47 Ca -0.20 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2kb0 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kb0 n GLY 48 N -1.10 0.62 3.34 -0.02 0.00 -1.26 -5.06 105.19 101.71 2kb0 n GLY 48 Ca -0.07 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 2kb0 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb0 s GLU 49 N -0.95 1.28 0.21 1.61 0.41 -0.70 -5.12 118.70 115.44 2kb0 s GLU 49 Ca 0.00 -1.38 -0.30 0.00 -0.41 0.00 0.00 54.97 52.88 2kb0 s GLU 49 Cb 0.00 -1.42 -0.09 0.00 -1.78 0.00 0.00 34.13 30.84 2kb0 s GLU 49 CO 0.00 0.30 1.27 -1.25 -0.49 0.00 0.00 175.26 175.09 2kb0 s PRO 50 N -2.61 4.43 0.04 0.39 0.04 -1.26 -0.48 135.00 135.54 2kb0 s PRO 50 Ca 0.15 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 63.11 2kb0 s PRO 50 Cb -0.07 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.27 2kb0 s PRO 50 CO 0.07 -0.18 0.15 0.71 0.04 0.00 0.00 177.00 177.79 2kb0 s TYR 51 N -0.10 0.12 -0.02 0.56 2.02 0.29 -4.83 117.35 115.39 2kb0 s TYR 51 Ca 0.54 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.91 2kb0 s TYR 51 Cb -0.35 -0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.11 2kb0 s TYR 51 CO 0.39 -0.40 -0.19 0.99 -1.57 0.00 0.00 175.55 174.77 2kb0 s THR 52 N -2.61 1.48 -0.14 -0.71 2.01 -1.26 0.10 115.64 114.51 2kb0 s THR 52 Ca -0.05 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2kb0 s THR 52 Cb -0.01 -1.24 0.01 0.00 0.01 0.00 0.00 72.50 71.27 2kb0 s THR 52 CO -0.04 0.42 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.34 2kb0 s LEU 53 N -0.36 2.17 -0.24 4.42 1.43 -0.55 -3.26 118.68 122.29 2kb0 s LEU 53 Ca 0.05 -0.58 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2kb0 s LEU 53 Cb -0.08 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 2kb0 s LEU 53 CO -0.00 0.08 -0.01 -0.83 0.23 0.00 0.00 176.35 175.82 2kb0 s GLY 54 N 0.80 1.66 -0.19 -3.19 0.00 -1.17 -2.35 107.32 102.88 2kb0 s GLY 54 Ca -0.07 -1.26 -0.08 0.00 0.00 0.00 0.00 44.72 43.30 2kb0 s GLY 54 CO -0.01 0.50 0.08 1.08 0.00 0.00 0.00 173.10 174.75 2kb0 s LEU 55 N 1.48 3.91 -0.18 0.66 2.01 -1.25 -3.36 118.68 121.93 2kb0 s LEU 55 Ca 0.04 0.11 -0.04 0.00 0.01 0.00 0.00 54.13 54.25 2kb0 s LEU 55 Cb -0.15 -2.00 -0.02 0.00 0.01 0.00 0.00 46.19 44.03 2kb0 s LEU 55 CO -0.02 0.16 -0.03 -0.36 1.01 0.00 0.00 176.35 177.11 2kb0 s PHE 56 N 0.44 3.00 0.33 0.29 0.08 -0.86 -4.41 117.98 116.85 2kb0 s PHE 56 Ca 0.04 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.65 2kb0 s PHE 56 Cb -0.12 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 2kb0 s PHE 56 CO 0.00 -0.23 0.37 0.16 -0.10 0.00 0.00 175.22 175.42 2kb0 s ASP 57 N 0.81 5.61 0.66 1.36 1.47 -1.26 -1.59 116.67 123.73 2kb0 s ASP 57 Ca -0.01 -0.34 -0.11 0.00 1.18 0.00 0.00 52.55 53.27 2kb0 s ASP 57 Cb -0.14 -1.11 -0.01 0.00 -0.34 0.00 0.00 42.92 41.31 2kb0 s ASP 57 CO 0.02 -0.37 1.06 0.42 0.68 0.00 0.00 175.17 176.97 2kb0 s THR 58 N -2.24 4.17 0.00 2.11 -4.23 -1.26 -4.93 115.64 109.27 2kb0 s THR 58 Ca 0.42 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 2kb0 s THR 58 Cb -0.07 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2kb0 s THR 58 CO 0.29 -0.92 0.00 0.00 -0.54 0.00 0.00 174.62 173.45 2kb0 n ALA 59 N -2.88 0.00 1.65 3.99 0.00 -1.26 -4.90 120.51 117.10 2kb0 n ALA 59 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.65 2kb0 n ALA 59 Cb 0.55 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.70 2kb0 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb0 n GLY 60 N -0.05 -0.61 0.28 0.00 0.00 -1.26 -3.83 105.19 99.72 2kb0 n GLY 60 Ca 0.00 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.83 2kb0 n GLY 60 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kb0 h GLN 61 N 1.03 0.00 0.00 1.61 4.20 -1.90 -1.60 115.11 118.44 2kb0 h GLN 61 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2kb0 h GLN 61 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2kb0 h GLN 61 CO 0.00 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.55 2kb0 n GLU 62 N -4.19 0.74 0.00 1.46 4.71 -1.25 -4.74 120.64 117.37 2kb0 n GLU 62 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2kb0 n GLU 62 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.53 2kb0 n GLU 62 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2kb0 n ASP 63 N -0.56 0.03 -1.58 1.62 5.68 -1.26 -1.97 116.55 118.50 2kb0 n ASP 63 Ca 0.00 -0.30 0.08 0.00 -0.50 0.00 0.00 54.79 54.07 2kb0 n ASP 63 Cb 0.00 -0.01 0.36 0.00 -1.14 0.00 0.00 41.12 40.32 2kb0 n ASP 63 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2kb0 n TYR 64 N -0.32 1.67 0.17 2.11 4.01 -1.26 -4.58 117.16 118.96 2kb0 n TYR 64 Ca 0.00 -0.73 0.02 0.00 -0.16 0.00 0.00 57.90 57.03 2kb0 n TYR 64 Cb 0.01 -0.40 0.12 0.00 -0.31 0.00 0.00 39.34 38.76 2kb0 n TYR 64 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2kb0 n ASP 65 N 0.50 0.11 -0.48 7.72 8.00 -0.60 -1.38 116.55 130.41 2kb0 n ASP 65 Ca 0.26 0.35 0.43 0.00 0.71 0.00 0.00 54.79 56.53 2kb0 n ASP 65 Cb 1.04 -0.16 0.78 0.00 -0.02 0.00 0.00 41.12 42.76 2kb0 n ASP 65 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2kb0 h ARG 66 N 0.00 0.01 -0.47 -1.24 9.65 -1.83 1.10 114.38 121.59 2kb0 h ARG 66 Ca 0.00 -0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2kb0 h ARG 66 Cb 1.21 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 2kb0 h ARG 66 CO 0.00 0.00 0.31 1.25 2.80 0.00 0.00 179.97 184.34 2kb0 h LEU 67 N 0.01 0.52 -0.13 3.80 5.85 -1.56 -3.12 115.31 120.69 2kb0 h LEU 67 Ca 0.72 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 59.45 2kb0 h LEU 67 Cb 2.88 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 43.75 2kb0 h LEU 67 CO -0.02 0.37 -0.22 0.03 -0.34 0.00 0.00 178.44 178.27 2kb0 h ARG 68 N 0.61 -0.17 -0.46 1.25 -0.00 0.10 -1.11 114.38 114.60 2kb0 h ARG 68 Ca 0.18 0.01 0.08 0.00 -0.50 0.00 0.00 59.98 59.75 2kb0 h ARG 68 Cb -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 29.97 29.96 2kb0 h ARG 68 CO -0.04 -0.11 0.31 -1.00 0.00 0.00 0.00 179.97 179.13 2kb0 h PRO 69 N -0.18 0.27 -0.60 0.04 0.13 -1.71 -1.37 132.00 128.59 2kb0 h PRO 69 Ca 0.02 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2kb0 h PRO 69 Cb 0.24 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 2kb0 h PRO 69 CO -0.21 0.18 0.32 1.25 -0.23 0.00 0.00 178.00 179.31 2kb0 h LEU 70 N 0.28 0.73 -3.05 1.56 5.85 -1.18 -3.46 115.31 116.04 2kb0 h LEU 70 Ca 0.21 -0.06 -0.35 0.00 0.84 0.00 0.00 57.88 58.53 2kb0 h LEU 70 Cb 0.46 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.32 2kb0 h LEU 70 CO -0.04 0.60 -0.92 -1.54 -0.34 0.00 0.00 178.44 176.20 2kb0 n SER 71 N -4.38 -4.01 -0.06 1.25 3.41 -0.52 -4.89 113.62 104.41 2kb0 n SER 71 Ca 0.06 -0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.15 2kb0 n SER 71 Cb 0.10 -1.24 -0.05 0.00 -0.26 0.00 0.00 64.21 62.76 2kb0 n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kb0 n TYR 72 N -1.04 0.00 -1.75 7.33 9.36 -1.26 -5.02 117.16 124.78 2kb0 n TYR 72 Ca -0.15 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.65 2kb0 n TYR 72 Cb 0.54 -0.46 -0.01 0.00 -0.63 0.00 0.00 39.34 38.78 2kb0 n TYR 72 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 2kb0 n PRO 73 N -3.10 2.63 -4.46 2.98 -0.02 -1.26 -5.02 135.00 126.75 2kb0 n PRO 73 Ca -0.23 0.93 -0.21 0.00 -2.02 0.00 0.00 63.50 61.97 2kb0 n PRO 73 Cb 0.71 -2.67 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 2kb0 n PRO 73 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kb0 s GLN 74 N -1.36 1.09 0.03 -0.52 -0.21 -1.26 -5.15 119.66 112.29 2kb0 s GLN 74 Ca 0.58 -0.35 -0.01 0.00 0.02 0.00 0.00 55.36 55.60 2kb0 s GLN 74 Cb -0.50 -1.00 -0.02 0.00 1.00 0.00 0.00 33.01 32.49 2kb0 s GLN 74 CO 0.57 0.13 -0.01 -0.08 -2.12 0.00 0.00 175.29 173.77 2kb0 s THR 75 N 0.18 0.14 -1.41 -0.19 -1.32 -1.26 -4.89 115.64 106.90 2kb0 s THR 75 Ca -0.03 -1.16 0.17 0.00 -1.21 0.00 0.00 61.69 59.46 2kb0 s THR 75 Cb -0.09 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 70.21 2kb0 s THR 75 CO 0.01 -0.64 0.85 0.47 -2.21 0.00 0.00 174.62 173.10 2kb0 n ASP 76 N 1.13 1.52 -3.90 8.08 8.00 -1.24 -4.93 116.55 125.20 2kb0 n ASP 76 Ca -0.21 -1.26 -0.17 0.00 0.71 0.00 0.00 54.79 53.86 2kb0 n ASP 76 Cb 0.57 0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 42.08 2kb0 n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kb0 s VAL 77 N -2.07 0.38 -0.22 2.53 1.01 -1.23 -4.84 120.40 115.96 2kb0 s VAL 77 Ca 0.13 -0.10 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 2kb0 s VAL 77 Cb 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 2kb0 s VAL 77 CO 0.47 0.16 0.00 0.12 0.00 0.00 0.00 175.10 175.85 2kb0 s PHE 78 N 0.54 3.02 -0.04 5.22 5.36 -1.25 -3.14 117.98 127.69 2kb0 s PHE 78 Ca -0.06 -0.62 0.05 0.00 -0.96 0.00 0.00 56.93 55.34 2kb0 s PHE 78 Cb -0.09 -2.13 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 2kb0 s PHE 78 CO -0.00 -0.39 -0.19 -0.51 -1.46 0.00 0.00 175.22 172.67 2kb0 s LEU 79 N 1.35 2.48 0.08 6.12 1.43 -0.54 -3.34 118.68 126.26 2kb0 s LEU 79 Ca 0.04 -0.30 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2kb0 s LEU 79 Cb -0.15 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2kb0 s LEU 79 CO 0.01 0.34 -0.12 0.68 0.23 0.00 0.00 176.35 177.48 2kb0 s VAL 80 N -0.69 1.03 -0.06 -1.59 -7.23 -1.23 -3.28 120.40 107.35 2kb0 s VAL 80 Ca 0.11 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 2kb0 s VAL 80 Cb -0.10 -1.19 0.03 0.00 0.56 0.00 0.00 36.38 35.67 2kb0 s VAL 80 CO -0.00 -0.38 0.14 0.00 -0.31 0.00 0.00 175.10 174.55 2kb0 s PHE 82 N 0.71 0.86 0.12 0.00 -0.71 -1.25 -4.50 117.98 113.21 2kb0 s PHE 82 Ca -0.05 -1.16 -0.01 0.00 -1.04 0.00 0.00 56.93 54.67 2kb0 s PHE 82 Cb -0.07 -0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 2kb0 s PHE 82 CO -0.03 -0.43 0.30 -1.54 -1.34 0.00 0.00 175.22 172.18 2kb0 s SER 83 N -3.05 6.40 0.00 1.98 1.04 -1.26 -3.25 113.70 115.56 2kb0 s SER 83 Ca 0.20 0.37 0.21 0.00 0.48 0.00 0.00 55.95 57.22 2kb0 s SER 83 Cb 0.07 -2.00 0.45 0.00 0.10 0.00 0.00 66.02 64.64 2kb0 s SER 83 CO -0.00 0.08 1.38 0.55 0.98 0.00 0.00 173.24 176.23 2kb0 n VAL 84 N -0.04 0.67 0.97 5.02 3.14 -1.25 -4.22 118.33 122.63 2kb0 n VAL 84 Ca -0.04 -0.84 0.11 0.00 -2.96 0.00 0.00 64.34 60.62 2kb0 n VAL 84 Cb 0.52 0.81 0.07 0.00 -1.06 0.00 0.00 33.84 34.19 2kb0 n VAL 84 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2kb0 n VAL 85 N 1.36 0.00 -3.95 1.55 0.24 -1.26 -3.46 118.33 112.80 2kb0 n VAL 85 Ca 0.19 -0.45 -0.31 0.00 -2.04 0.00 0.00 64.34 61.73 2kb0 n VAL 85 Cb 0.57 1.43 -0.14 0.00 -1.47 0.00 0.00 33.84 34.23 2kb0 n VAL 85 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2kb0 s SER 86 N -2.06 4.68 0.17 -1.34 0.01 -1.26 -4.89 113.70 109.01 2kb0 s SER 86 Ca 0.25 -2.50 -0.21 0.00 1.31 0.00 0.00 55.95 54.80 2kb0 s SER 86 Cb 0.19 -1.67 0.08 0.00 0.21 0.00 0.00 66.02 64.83 2kb0 s SER 86 CO 0.35 -0.34 1.62 -0.65 0.41 0.00 0.00 173.24 174.63 2kb0 h PRO 87 N 7.21 -0.19 -0.99 12.44 0.11 -1.91 -1.02 132.00 147.66 2kb0 h PRO 87 Ca -0.06 0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.20 2kb0 h PRO 87 Cb 0.97 0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.03 2kb0 h PRO 87 CO 0.61 -0.12 0.61 1.03 -0.21 0.00 0.00 178.00 179.92 2kb0 h SER 88 N -0.19 0.87 0.02 -2.05 0.87 -1.99 0.86 113.55 111.93 2kb0 h SER 88 Ca 0.18 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2kb0 h SER 88 Cb 0.47 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2kb0 h SER 88 CO -0.48 0.42 0.00 -1.54 -0.53 0.00 0.00 176.83 174.70 2kb0 n SER 89 N -4.68 0.49 -0.03 6.23 3.41 -0.40 -1.63 113.62 117.02 2kb0 n SER 89 Ca 0.20 0.73 -0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2kb0 n SER 89 Cb 0.42 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.47 2kb0 n SER 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2kb0 h PHE 90 N 0.00 -0.02 -0.59 7.33 3.57 0.87 -3.08 116.94 125.02 2kb0 h PHE 90 Ca 0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2kb0 h PHE 90 Cb 0.01 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2kb0 h PHE 90 CO 0.00 0.64 0.02 1.49 -2.23 0.00 0.00 178.31 178.24 2kb0 h GLU 91 N -0.73 1.01 -0.68 1.11 4.81 -1.31 -2.42 114.58 116.37 2kb0 h GLU 91 Ca -0.00 -0.30 0.16 0.00 -0.13 0.00 0.00 59.36 59.09 2kb0 h GLU 91 Cb 0.68 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 2kb0 h GLU 91 CO 0.00 0.97 0.47 -0.91 -0.73 0.00 0.00 179.01 178.81 2kb0 h ASN 92 N 0.93 0.20 -0.78 1.04 2.35 -1.43 0.08 115.58 117.97 2kb0 h ASN 92 Ca 0.17 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2kb0 h ASN 92 Cb 0.51 -0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 2kb0 h ASN 92 CO 0.02 0.10 0.52 0.58 -1.65 0.00 0.00 177.43 177.00 2kb0 h VAL 93 N 0.21 1.15 0.00 2.81 2.07 -1.33 -1.48 116.25 119.68 2kb0 h VAL 93 Ca 0.33 -0.34 -0.20 0.00 0.82 0.00 0.00 66.70 67.30 2kb0 h VAL 93 Cb 1.00 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2kb0 h VAL 93 CO -0.06 0.18 -1.28 0.11 0.02 0.00 0.00 177.57 176.54 2kb0 h LYS 94 N 1.00 0.00 -0.13 1.57 1.57 -1.13 -2.82 116.57 116.63 2kb0 h LYS 94 Ca 0.30 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.90 2kb0 h LYS 94 Cb -0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2kb0 h LYS 94 CO -0.08 0.52 -0.68 0.93 -0.57 0.00 0.00 179.45 179.57 2kb0 h GLU 95 N 0.00 0.54 0.00 3.15 5.08 -0.85 -3.32 114.58 119.18 2kb0 h GLU 95 Ca -0.15 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.63 2kb0 h GLU 95 Cb 1.72 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 31.02 2kb0 h GLU 95 CO 0.08 1.03 -1.56 1.63 -1.00 0.00 0.00 179.01 179.19 2kb0 n LYS 96 N -3.90 0.24 0.03 2.33 5.02 -0.60 -4.61 118.16 116.67 2kb0 n LYS 96 Ca -0.05 0.10 -0.04 0.00 -2.02 0.00 0.00 58.31 56.31 2kb0 n LYS 96 Cb 0.68 -0.90 0.19 0.00 -0.02 0.00 0.00 35.03 34.98 2kb0 n LYS 96 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2kb0 h TRP 97 N -0.41 0.50 0.10 2.13 6.55 -1.64 -0.46 115.95 122.73 2kb0 h TRP 97 Ca -0.27 -0.12 -0.01 0.00 0.95 0.00 0.00 58.89 59.44 2kb0 h TRP 97 Cb 1.20 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 29.38 2kb0 h TRP 97 CO -0.05 0.71 -0.05 0.28 -1.05 0.00 0.00 178.44 178.29 2kb0 h VAL 98 N 0.38 1.10 0.03 1.49 2.07 -1.60 -2.82 116.25 116.90 2kb0 h VAL 98 Ca 0.05 -0.87 -0.15 0.00 0.82 0.00 0.00 66.70 66.55 2kb0 h VAL 98 Cb 0.75 1.65 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2kb0 h VAL 98 CO 0.06 0.21 -0.60 1.55 0.02 0.00 0.00 177.57 178.80 2kb0 h PRO 99 N -0.55 0.36 -0.82 1.57 0.13 -1.74 -3.13 132.00 127.82 2kb0 h PRO 99 Ca -0.01 -0.43 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 2kb0 h PRO 99 Cb 0.45 0.13 -0.05 0.00 0.13 0.00 0.00 31.00 31.66 2kb0 h PRO 99 CO 0.02 1.11 0.53 1.49 -0.23 0.00 0.00 178.00 180.93 2kb0 h GLU 100 N -0.20 1.03 -0.32 0.86 4.81 -1.21 -1.53 114.58 118.03 2kb0 h GLU 100 Ca -0.08 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 2kb0 h GLU 100 Cb 1.35 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2kb0 h GLU 100 CO 0.12 0.68 -0.15 0.82 -0.73 0.00 0.00 179.01 179.75 2kb0 h ILE 101 N 1.06 1.29 -0.70 2.32 2.04 -1.61 -2.62 117.51 119.29 2kb0 h ILE 101 Ca 0.32 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2kb0 h ILE 101 Cb -0.05 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2kb0 h ILE 101 CO -0.09 0.41 0.45 0.74 0.00 0.00 0.00 178.15 179.65 2kb0 h THR 102 N 0.43 1.19 -0.50 -0.27 2.02 -1.43 2.98 112.91 117.32 2kb0 h THR 102 Ca 0.07 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2kb0 h THR 102 Cb 0.68 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2kb0 h THR 102 CO 0.05 0.18 0.32 0.45 0.37 0.00 0.00 175.52 176.89 2kb0 h HIS 103 N 0.95 0.65 0.00 3.16 3.86 -1.21 -2.66 115.15 119.90 2kb0 h HIS 103 Ca 0.25 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2kb0 h HIS 103 Cb -0.09 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.17 2kb0 h HIS 103 CO -0.02 0.43 -0.69 0.72 0.86 0.00 0.00 177.93 179.24 2kb0 n HIS 104 N -4.71 0.05 -3.26 2.45 8.25 -0.97 -4.68 115.22 112.34 2kb0 n HIS 104 Ca 0.02 0.01 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 2kb0 n HIS 104 Cb 0.04 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 30.86 2kb0 n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kb0 h PRO 106 N 6.50 0.11 -2.28 0.00 0.11 -1.65 -3.33 132.00 131.45 2kb0 h PRO 106 Ca 0.09 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.95 2kb0 h PRO 106 Cb 1.05 -0.02 -0.33 0.00 0.11 0.00 0.00 31.00 31.81 2kb0 h PRO 106 CO 0.19 0.07 -0.56 0.15 -0.21 0.00 0.00 178.00 177.63 2kb0 s LYS 107 N -6.18 0.25 -0.03 1.05 1.02 -1.26 -4.92 119.74 109.67 2kb0 s LYS 107 Ca -0.13 0.35 -0.22 0.00 0.02 0.00 0.00 55.97 55.99 2kb0 s LYS 107 Cb 0.14 -0.88 0.04 0.00 -0.52 0.00 0.00 37.83 36.61 2kb0 s LYS 107 CO 0.71 -0.64 0.47 0.95 -0.92 0.00 0.00 175.35 175.92 2kb0 s THR 108 N 2.42 0.03 -0.31 2.17 -4.23 -1.26 -5.11 115.64 109.35 2kb0 s THR 108 Ca 0.09 -0.27 -0.40 0.00 -1.18 0.00 0.00 61.69 59.93 2kb0 s THR 108 Cb -0.15 -0.79 -0.15 0.00 1.34 0.00 0.00 72.50 72.74 2kb0 s THR 108 CO -0.13 -0.15 1.82 -2.65 -0.54 0.00 0.00 174.62 172.97 2kb0 n PRO 109 N 1.09 1.05 -4.61 3.99 -0.02 -1.26 -4.94 135.00 130.30 2kb0 n PRO 109 Ca -0.20 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.32 2kb0 n PRO 109 Cb 0.57 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 2kb0 n PRO 109 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2kb0 s PHE 110 N 4.16 2.87 -0.20 6.00 0.08 -1.26 -3.86 117.98 125.77 2kb0 s PHE 110 Ca 1.01 -0.61 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 2kb0 s PHE 110 Cb -1.08 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 2kb0 s PHE 110 CO 0.64 -0.21 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.26 2kb0 s LEU 111 N 0.47 2.53 -0.29 -0.37 2.96 -1.21 0.12 118.68 122.88 2kb0 s LEU 111 Ca -0.08 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.23 2kb0 s LEU 111 Cb -0.15 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 2kb0 s LEU 111 CO 0.04 -0.01 0.15 -0.22 -1.32 0.00 0.00 176.35 174.99 2kb0 s LEU 112 N 1.36 3.96 -0.09 -0.68 2.96 -1.09 -3.54 118.68 121.56 2kb0 s LEU 112 Ca 0.05 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.63 2kb0 s LEU 112 Cb -0.14 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2kb0 s LEU 112 CO -0.08 -0.13 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.04 2kb0 s VAL 113 N 1.65 3.40 -0.23 1.68 1.01 -1.22 -3.10 120.40 123.59 2kb0 s VAL 113 Ca 0.06 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 2kb0 s VAL 113 Cb -0.16 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 2kb0 s VAL 113 CO 0.07 0.56 0.14 -0.83 0.00 0.00 0.00 175.10 175.05 2kb0 s GLY 114 N -0.32 1.97 0.26 4.51 0.00 0.16 -3.92 107.32 109.97 2kb0 s GLY 114 Ca 0.04 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.91 2kb0 s GLY 114 CO 0.02 0.36 0.01 -1.08 0.00 0.00 0.00 173.10 172.42 2kb0 s THR 115 N 1.01 1.12 0.00 0.90 -1.32 -1.20 -0.82 115.64 115.33 2kb0 s THR 115 Ca 0.07 -2.04 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 2kb0 s THR 115 Cb -0.13 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 2kb0 s THR 115 CO 0.04 -0.24 0.00 1.67 -2.21 0.00 0.00 174.62 173.88 2kb0 n GLN 116 N -0.50 0.00 0.00 7.08 -0.06 -1.23 -3.77 117.38 118.90 2kb0 n GLN 116 Ca -0.04 0.19 0.00 0.00 -2.00 0.00 0.00 57.00 55.15 2kb0 n GLN 116 Cb 0.64 -2.54 0.00 0.00 -4.06 0.00 0.00 30.24 24.29 2kb0 n GLN 116 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 2kb0 n ILE 117 N -2.72 0.00 0.00 1.69 -5.35 -1.26 -3.63 119.36 108.09 2kb0 n ILE 117 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2kb0 n ILE 117 Cb 0.00 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 2kb0 n ILE 117 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2kb0 n ASP 118 N 0.00 0.00 -0.20 7.28 8.00 -1.26 -3.94 116.55 126.42 2kb0 n ASP 118 Ca 0.00 0.00 0.28 0.00 0.71 0.00 0.00 54.79 55.78 2kb0 n ASP 118 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 41.81 2kb0 n ASP 118 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2kb0 h LEU 119 N 0.00 0.04 -1.49 0.64 5.85 -1.98 1.14 115.31 119.51 2kb0 h LEU 119 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2kb0 h LEU 119 Cb 0.00 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2kb0 h LEU 119 CO 0.00 0.01 0.08 -0.09 -0.34 0.00 0.00 178.44 178.10 2kb0 h ARG 120 N 0.04 0.00 -0.15 1.25 2.43 -1.74 0.36 114.38 116.57 2kb0 h ARG 120 Ca 0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 2kb0 h ARG 120 Cb 1.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 2kb0 h ARG 120 CO -0.03 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.03 2kb0 n ASP 121 N -2.32 3.07 -4.82 -3.80 5.68 0.39 -4.77 116.55 109.98 2kb0 n ASP 121 Ca -0.01 -1.95 -0.33 0.00 -0.50 0.00 0.00 54.79 51.99 2kb0 n ASP 121 Cb 0.12 -0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 39.95 2kb0 n ASP 121 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2kb0 s ASP 122 N -1.72 6.72 -0.03 -1.12 1.11 0.13 -5.00 116.67 116.76 2kb0 s ASP 122 Ca 0.30 1.74 -0.23 0.00 0.18 0.00 0.00 52.55 54.54 2kb0 s ASP 122 Cb 0.20 -2.54 -0.17 0.00 1.07 0.00 0.00 42.92 41.48 2kb0 s ASP 122 CO 0.29 -0.51 1.04 1.55 1.18 0.00 0.00 175.17 178.72 2kb0 h PRO 123 N 1.68 -0.21 -0.33 8.23 0.13 -1.93 -2.87 132.00 136.71 2kb0 h PRO 123 Ca -0.49 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2kb0 h PRO 123 Cb 1.19 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2kb0 h PRO 123 CO 0.60 0.22 0.22 0.77 -0.23 0.00 0.00 178.00 179.58 2kb0 h SER 124 N -0.76 0.30 0.07 1.44 0.02 -1.95 0.28 113.55 112.95 2kb0 h SER 124 Ca -0.02 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2kb0 h SER 124 Cb 0.52 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2kb0 h SER 124 CO 0.04 0.21 -0.04 0.74 -1.14 0.00 0.00 176.83 176.64 2kb0 h THR 125 N 0.35 1.19 -0.35 -2.27 2.02 -1.85 0.37 112.91 112.37 2kb0 h THR 125 Ca 0.13 -1.05 -0.07 0.00 0.77 0.00 0.00 66.41 66.19 2kb0 h THR 125 Cb 0.10 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2kb0 h THR 125 CO -0.03 0.25 -0.07 0.16 0.37 0.00 0.00 175.52 176.21 2kb0 h ILE 126 N -0.58 1.23 -0.09 3.11 3.07 -1.25 -1.01 117.51 121.98 2kb0 h ILE 126 Ca -0.01 -0.97 -0.12 0.00 1.55 0.00 0.00 64.86 65.31 2kb0 h ILE 126 Cb 0.49 1.04 0.01 0.00 -0.27 0.00 0.00 36.82 38.09 2kb0 h ILE 126 CO 0.02 0.33 -0.41 -0.33 -1.05 0.00 0.00 178.15 176.70 2kb0 h GLU 127 N 0.54 0.44 -0.88 0.16 5.08 -0.92 0.32 114.58 119.32 2kb0 h GLU 127 Ca 0.10 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2kb0 h GLU 127 Cb 0.45 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2kb0 h GLU 127 CO 0.02 0.99 0.58 -0.22 -1.00 0.00 0.00 179.01 179.38 2kb0 h LYS 128 N 0.00 1.15 -0.05 2.33 3.64 -0.04 -1.66 116.57 121.94 2kb0 h LYS 128 Ca -0.03 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.10 2kb0 h LYS 128 Cb 1.06 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2kb0 h LYS 128 CO 0.09 0.76 -0.77 -0.07 -2.27 0.00 0.00 179.45 177.19 2kb0 h LEU 129 N 1.18 0.39 -0.48 5.20 3.38 -1.20 -3.14 115.31 120.64 2kb0 h LEU 129 Ca 0.32 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2kb0 h LEU 129 Cb -0.13 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 2kb0 h LEU 129 CO -0.07 1.02 0.08 0.00 0.09 0.00 0.00 178.44 179.55 2kb0 h ALA 130 N 0.97 0.52 -0.49 1.53 0.00 -0.02 -0.13 119.26 121.65 2kb0 h ALA 130 Ca -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2kb0 h ALA 130 Cb 1.35 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 2kb0 h ALA 130 CO 0.13 -0.32 0.17 0.87 0.00 0.00 0.00 179.25 180.09 2kb0 h LYS 131 N 0.21 0.72 0.09 0.00 1.57 -1.39 -3.04 116.57 114.73 2kb0 h LYS 131 Ca 0.24 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2kb0 h LYS 131 Cb 0.32 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2kb0 h LYS 131 CO -0.32 0.61 -0.40 -0.97 -0.57 0.00 0.00 179.45 177.79 2kb0 h ASN 132 N 0.71 -1.19 0.00 0.86 -0.73 -0.97 -3.46 115.58 110.80 2kb0 h ASN 132 Ca 0.17 0.14 0.00 0.00 1.87 0.00 0.00 56.30 58.47 2kb0 h ASN 132 Cb 0.18 0.45 0.00 0.00 0.27 0.00 0.00 38.32 39.22 2kb0 h ASN 132 CO -0.01 -0.47 0.00 2.29 -0.37 0.00 0.00 177.43 178.87 2kb0 n LYS 133 N -5.45 0.00 0.00 6.67 2.85 -1.11 -5.14 118.16 115.98 2kb0 n LYS 133 Ca -0.07 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2kb0 n LYS 133 Cb 0.37 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.75 2kb0 n LYS 133 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2kb0 n GLN 134 N -2.29 0.00 -4.27 -1.58 6.02 -1.25 -4.98 117.38 109.03 2kb0 n GLN 134 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 2kb0 n GLN 134 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 2kb0 n GLN 134 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kb0 s LYS 135 N 2.98 1.15 1.29 -1.09 -2.85 -1.26 -3.42 119.74 116.53 2kb0 s LYS 135 Ca 0.00 -1.54 -0.18 0.00 -1.00 0.00 0.00 55.97 53.25 2kb0 s LYS 135 Cb 0.00 -0.47 0.31 0.00 -2.06 0.00 0.00 37.83 35.61 2kb0 s LYS 135 CO 0.00 -0.05 0.80 -0.35 0.10 0.00 0.00 175.35 175.84 2kb0 n PRO 136 N -0.27 -3.38 -3.67 1.78 -0.04 -1.26 -4.97 135.00 123.18 2kb0 n PRO 136 Ca -0.07 -0.98 -0.38 0.00 -0.04 0.00 0.00 63.50 62.03 2kb0 n PRO 136 Cb 0.62 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 2kb0 n PRO 136 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kb0 s ILE 137 N -2.24 5.24 0.56 0.52 1.01 -1.23 -5.07 121.20 120.00 2kb0 s ILE 137 Ca 0.65 0.55 -0.12 0.00 0.00 0.00 0.00 60.65 61.73 2kb0 s ILE 137 Cb -0.18 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.67 2kb0 s ILE 137 CO 0.60 0.60 0.97 0.28 0.00 0.00 0.00 174.94 177.39 2kb0 s THR 138 N -1.06 4.70 0.46 2.92 -1.32 -1.26 -4.91 115.64 115.17 2kb0 s THR 138 Ca 0.20 0.86 0.12 0.00 -1.21 0.00 0.00 61.69 61.66 2kb0 s THR 138 Cb -0.15 -3.82 0.24 0.00 -1.51 0.00 0.00 72.50 67.26 2kb0 s THR 138 CO 0.09 -0.96 2.07 1.55 -2.21 0.00 0.00 174.62 175.17 2kb0 h PRO 139 N 0.16 0.20 -0.83 7.08 0.13 -1.98 -2.24 132.00 134.52 2kb0 h PRO 139 Ca -0.45 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2kb0 h PRO 139 Cb 1.19 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2kb0 h PRO 139 CO 0.62 0.18 0.55 1.49 -0.23 0.00 0.00 178.00 180.61 2kb0 h GLU 140 N 0.20 1.04 -0.13 0.86 4.81 -1.99 0.28 114.58 119.65 2kb0 h GLU 140 Ca 0.05 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2kb0 h GLU 140 Cb 0.07 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 2kb0 h GLU 140 CO -0.00 0.69 -0.43 1.15 -0.73 0.00 0.00 179.01 179.68 2kb0 h THR 141 N 1.07 1.32 -0.04 0.32 2.02 -1.79 -2.95 112.91 112.86 2kb0 h THR 141 Ca 0.32 -1.58 -0.25 0.00 0.77 0.00 0.00 66.41 65.67 2kb0 h THR 141 Cb -0.02 1.70 0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2kb0 h THR 141 CO -0.09 0.48 -0.97 0.00 0.37 0.00 0.00 175.52 175.30 2kb0 h ALA 142 N 1.31 0.19 -0.23 6.16 0.00 -1.08 -3.19 119.26 122.43 2kb0 h ALA 142 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.27 2kb0 h ALA 142 Cb 0.86 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2kb0 h ALA 142 CO 0.07 0.70 0.15 1.49 0.00 0.00 0.00 179.25 181.66 2kb0 h GLU 143 N 0.42 0.24 -0.72 0.00 4.81 -0.41 -1.60 114.58 117.33 2kb0 h GLU 143 Ca -0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2kb0 h GLU 143 Cb 1.62 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.91 2kb0 h GLU 143 CO 0.19 0.16 0.42 -0.22 -0.73 0.00 0.00 179.01 178.83 2kb0 h LYS 144 N 0.25 0.97 -0.07 1.92 3.64 -1.50 -1.74 116.57 120.04 2kb0 h LYS 144 Ca 0.09 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2kb0 h LYS 144 Cb 0.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2kb0 h LYS 144 CO -0.02 0.69 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.55 2kb0 h LEU 145 N 0.99 0.11 -0.14 5.20 4.07 -1.40 -2.56 115.31 121.58 2kb0 h LEU 145 Ca 0.26 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 2kb0 h LEU 145 Cb -0.02 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 2kb0 h LEU 145 CO -0.05 0.36 -0.05 0.00 -1.08 0.00 0.00 178.44 177.61 2kb0 h ALA 146 N 1.66 0.20 -0.07 1.53 0.00 -1.29 -1.13 119.26 120.15 2kb0 h ALA 146 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kb0 h ALA 146 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kb0 h ALA 146 CO 0.03 -0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.80 2kb0 n ARG 147 N -4.67 1.18 -0.04 0.00 1.74 -1.12 -0.86 116.66 112.88 2kb0 n ARG 147 Ca -0.06 -0.28 -0.05 0.00 -0.77 0.00 0.00 57.85 56.70 2kb0 n ARG 147 Cb 0.28 -1.08 -0.04 0.00 -1.02 0.00 0.00 32.46 30.59 2kb0 n ARG 147 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2kb0 n ASP 148 N -0.30 3.35 -1.20 0.55 8.00 -0.98 -4.58 116.55 121.40 2kb0 n ASP 148 Ca 0.04 -0.03 0.05 0.00 0.71 0.00 0.00 54.79 55.56 2kb0 n ASP 148 Cb 0.07 0.18 0.23 0.00 -0.02 0.00 0.00 41.12 41.58 2kb0 n ASP 148 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2kb0 n LEU 149 N -2.55 3.45 -1.77 0.64 4.77 -0.45 -4.87 117.00 116.22 2kb0 n LEU 149 Ca -0.13 -1.74 -0.15 0.00 -0.03 0.00 0.00 56.01 53.95 2kb0 n LEU 149 Cb 0.68 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2kb0 n LEU 149 CO 0.11 0.51 -0.19 0.29 -1.33 0.00 0.00 177.39 176.78 2kb0 n LYS 150 N 0.51 -1.33 -2.13 3.23 4.76 -1.22 -4.95 118.16 117.02 2kb0 n LYS 150 Ca 0.16 0.74 -0.39 0.00 -2.87 0.00 0.00 58.31 55.95 2kb0 n LYS 150 Cb 0.70 -5.09 -0.01 0.00 -1.84 0.00 0.00 35.03 28.79 2kb0 n LYS 150 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2kb0 s ALA 151 N -2.77 3.22 0.01 7.82 0.00 -0.04 -4.74 121.76 125.26 2kb0 s ALA 151 Ca 0.01 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 52.85 2kb0 s ALA 151 Cb -0.00 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.51 2kb0 s ALA 151 CO 0.01 -0.73 1.17 0.28 0.00 0.00 0.00 175.76 176.49 2kb0 h VAL 152 N 2.42 0.23 -2.78 0.00 2.07 -0.62 -3.44 116.25 114.13 2kb0 h VAL 152 Ca -0.49 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 66.55 2kb0 h VAL 152 Cb 1.24 0.32 -0.19 0.00 -1.52 0.00 0.00 31.29 31.14 2kb0 h VAL 152 CO 0.63 0.03 -0.14 -0.75 0.02 0.00 0.00 177.57 177.36 2kb0 s LYS 153 N -4.72 0.79 -0.05 1.57 2.20 -1.25 -5.06 119.74 113.22 2kb0 s LYS 153 Ca -0.14 -0.10 0.05 0.00 -0.36 0.00 0.00 55.97 55.42 2kb0 s LYS 153 Cb 0.02 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.67 2kb0 s LYS 153 CO 0.47 -0.23 -0.19 -0.47 -0.36 0.00 0.00 175.35 174.56 2kb0 s TYR 154 N -1.41 2.55 0.03 4.03 5.04 -1.26 -2.68 117.35 123.66 2kb0 s TYR 154 Ca -0.12 -0.36 -0.02 0.00 -2.44 0.00 0.00 57.07 54.13 2kb0 s TYR 154 Cb -0.03 -1.60 -0.02 0.00 0.35 0.00 0.00 41.96 40.66 2kb0 s TYR 154 CO 0.05 0.03 0.02 0.14 -1.34 0.00 0.00 175.55 174.45 2kb0 s VAL 155 N -0.54 0.14 -0.13 3.14 -7.23 -1.18 -5.03 120.40 109.57 2kb0 s VAL 155 Ca 0.07 -1.16 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 2kb0 s VAL 155 Cb -0.11 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 2kb0 s VAL 155 CO 0.01 -0.64 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.49 2kb0 s GLU 156 N -2.37 3.39 0.02 4.82 2.02 -1.26 -0.67 118.70 124.65 2kb0 s GLU 156 Ca -0.07 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 54.39 2kb0 s GLU 156 Cb -0.03 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 2kb0 s GLU 156 CO -0.04 0.35 -0.06 0.00 0.02 0.00 0.00 175.26 175.53 2kb0 s SER 158 N -1.02 4.83 0.25 0.00 0.15 -1.22 -3.52 113.70 113.17 2kb0 s SER 158 Ca -0.06 -1.38 0.10 0.00 0.70 0.00 0.00 55.95 55.30 2kb0 s SER 158 Cb -0.07 -1.69 0.28 0.00 -1.71 0.00 0.00 66.02 62.83 2kb0 s SER 158 CO 0.00 -0.27 1.57 0.00 1.20 0.00 0.00 173.24 175.74 2kb0 h ALA 159 N 7.94 0.89 -0.03 5.45 0.00 -1.92 -0.68 119.26 130.91 2kb0 h ALA 159 Ca -0.19 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.12 2kb0 h ALA 159 Cb 1.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kb0 h ALA 159 CO 0.53 0.83 0.03 -0.07 0.00 0.00 0.00 179.25 180.56 2kb0 h LEU 160 N 0.01 0.00 -9.21 0.00 4.07 -1.93 -3.43 115.31 104.82 2kb0 h LEU 160 Ca -0.01 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.44 2kb0 h LEU 160 Cb 1.18 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.78 2kb0 h LEU 160 CO 0.09 0.00 -0.66 0.42 -1.08 0.00 0.00 178.44 177.21 2kb0 s THR 161 N -4.87 1.66 -1.74 0.22 -4.23 -1.06 -4.85 115.64 100.78 2kb0 s THR 161 Ca -0.05 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.36 2kb0 s THR 161 Cb 0.16 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.44 2kb0 s THR 161 CO 0.62 -0.22 0.48 0.00 -0.54 0.00 0.00 174.62 174.95 2kb0 n GLN 162 N -0.65 0.56 -0.06 3.99 1.13 -1.26 -2.92 117.38 118.16 2kb0 n GLN 162 Ca -0.05 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.12 2kb0 n GLN 162 Cb 0.64 -1.07 0.41 0.00 0.11 0.00 0.00 30.24 30.33 2kb0 n GLN 162 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kb0 n LYS 163 N -0.31 1.71 -0.13 -1.09 5.02 -1.24 -3.85 118.16 118.28 2kb0 n LYS 163 Ca 0.00 -1.06 -0.27 0.00 -2.02 0.00 0.00 58.31 54.96 2kb0 n LYS 163 Cb 0.04 -1.41 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 2kb0 n LYS 163 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kb0 n GLY 164 N 1.14 -0.56 0.34 0.72 0.00 -0.29 -3.45 105.19 103.09 2kb0 n GLY 164 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2kb0 n GLY 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kb0 h LEU 165 N -0.91 0.96 -1.74 0.99 4.07 -1.80 -0.17 115.31 116.70 2kb0 h LEU 165 Ca -0.60 -0.10 0.04 0.00 0.08 0.00 0.00 57.88 57.31 2kb0 h LEU 165 Cb 1.56 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 2kb0 h LEU 165 CO -0.34 0.80 0.25 0.11 -1.08 0.00 0.00 178.44 178.18 2kb0 h LYS 166 N 1.07 0.32 0.09 1.13 1.57 -1.77 1.68 116.57 120.66 2kb0 h LYS 166 Ca 0.26 -0.02 -0.26 0.00 -1.87 0.00 0.00 60.65 58.76 2kb0 h LYS 166 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2kb0 h LYS 166 CO -0.04 0.21 -1.37 -0.91 -0.57 0.00 0.00 179.45 176.77 2kb0 h ASN 167 N 0.33 0.31 0.84 0.86 2.35 -1.55 -3.30 115.58 115.43 2kb0 h ASN 167 Ca 0.16 -0.82 -0.09 0.00 -0.55 0.00 0.00 56.30 54.99 2kb0 h ASN 167 Cb 0.21 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2kb0 h ASN 167 CO -0.03 1.59 -0.44 0.58 -1.65 0.00 0.00 177.43 177.47 2kb0 h VAL 168 N -0.41 1.01 -0.17 2.81 2.07 -0.75 -3.24 116.25 117.58 2kb0 h VAL 168 Ca -0.31 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.45 2kb0 h VAL 168 Cb 1.68 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 2kb0 h VAL 168 CO 0.02 0.44 -0.04 0.15 0.02 0.00 0.00 177.57 178.15 2kb0 h PHE 169 N 0.00 0.37 -0.73 1.57 3.57 0.24 -0.80 116.94 121.16 2kb0 h PHE 169 Ca -0.00 -0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.51 2kb0 h PHE 169 Cb 0.99 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.56 2kb0 h PHE 169 CO 0.00 0.60 0.37 -0.44 -2.23 0.00 0.00 178.31 176.61 2kb0 h ASP 170 N 0.04 0.48 -0.17 0.41 3.32 -1.63 -0.77 116.42 118.11 2kb0 h ASP 170 Ca 0.04 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 2kb0 h ASP 170 Cb 0.48 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2kb0 h ASP 170 CO 0.02 0.27 -0.49 -0.33 -1.72 0.00 0.00 179.24 176.99 2kb0 h GLU 171 N 0.62 0.74 -0.66 3.56 5.08 -1.60 -2.44 114.58 119.88 2kb0 h GLU 171 Ca 0.36 -0.43 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2kb0 h GLU 171 Cb 0.39 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2kb0 h GLU 171 CO -0.27 1.06 0.41 0.00 -1.00 0.00 0.00 179.01 179.21 2kb0 h ALA 172 N 0.87 0.85 -0.28 3.43 0.00 0.20 -1.20 119.26 123.12 2kb0 h ALA 172 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2kb0 h ALA 172 Cb 1.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2kb0 h ALA 172 CO 0.10 0.19 -0.27 0.82 0.00 0.00 0.00 179.25 180.09 2kb0 h ILE 173 N 0.82 1.30 -0.55 0.00 1.08 -1.17 -2.04 117.51 116.96 2kb0 h ILE 173 Ca 0.26 -1.43 0.06 0.00 -0.39 0.00 0.00 64.86 63.35 2kb0 h ILE 173 Cb -0.01 1.58 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 2kb0 h ILE 173 CO -0.09 0.46 0.25 0.25 -0.69 0.00 0.00 178.15 178.33 2kb0 h LEU 174 N 0.42 0.33 -0.83 1.44 5.85 -1.05 -1.36 115.31 120.12 2kb0 h LEU 174 Ca 0.05 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2kb0 h LEU 174 Cb 0.83 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2kb0 h LEU 174 CO 0.07 0.22 -0.11 0.00 -0.34 0.00 0.00 178.44 178.28 2kb0 h ALA 175 N 1.32 1.01 -0.78 1.25 0.00 -1.17 -2.79 119.26 118.10 2kb0 h ALA 175 Ca 0.25 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2kb0 h ALA 175 Cb 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2kb0 h ALA 175 CO -0.20 0.59 0.46 0.00 0.00 0.00 0.00 179.25 180.11 2kb0 h ALA 176 N 1.19 1.08 -0.63 0.00 0.00 -0.51 -0.71 119.26 119.68 2kb0 h ALA 176 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2kb0 h ALA 176 Cb 0.58 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2kb0 h ALA 176 CO 0.04 0.16 0.14 -0.07 0.00 0.00 0.00 179.25 179.52 2kb0 h LEU 177 N 0.84 0.93 0.00 0.00 3.38 -1.16 -3.49 115.31 115.81 2kb0 h LEU 177 Ca 0.35 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2kb0 h LEU 177 Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2kb0 h LEU 177 CO -0.19 0.90 0.00 -0.62 0.09 0.00 0.00 178.44 178.62