#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4d s ALA 3 N 0.00 3.54 -0.05 1.69 0.00 -1.26 0.52 121.76 126.20 1i4d s ALA 3 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 1i4d s ALA 3 Cb 0.00 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1i4d s ALA 3 CO 0.00 0.10 0.04 0.42 0.00 0.00 0.00 175.76 176.33 1i4d s ILE 4 N 0.30 0.01 -0.33 0.00 1.01 -0.73 -4.94 121.20 116.54 1i4d s ILE 4 Ca 0.23 0.35 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 1i4d s ILE 4 Cb -0.15 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1i4d s ILE 4 CO 0.09 0.20 0.26 -0.75 0.00 0.00 0.00 174.94 174.74 1i4d s LYS 5 N 2.09 3.60 -0.15 2.79 2.20 -1.26 -0.95 119.74 128.05 1i4d s LYS 5 Ca 0.05 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 1i4d s LYS 5 Cb -0.12 -3.78 0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1i4d s LYS 5 CO -0.04 -0.42 -0.20 0.00 -0.36 0.00 0.00 175.35 174.34 1i4d s VAL 7 N 0.96 3.78 -0.25 0.00 -7.23 -1.04 -1.90 120.40 114.72 1i4d s VAL 7 Ca -0.03 -0.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.44 1i4d s VAL 7 Cb -0.15 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1i4d s VAL 7 CO -0.05 0.46 0.04 -0.69 -0.31 0.00 0.00 175.10 174.56 1i4d s VAL 8 N -0.95 3.99 0.40 1.32 1.01 -0.31 -1.34 120.40 124.53 1i4d s VAL 8 Ca 0.16 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1i4d s VAL 8 Cb -0.11 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1i4d s VAL 8 CO 0.06 0.32 0.12 0.68 0.00 0.00 0.00 175.10 176.28 1i4d s VAL 9 N 1.56 2.26 0.00 2.92 -7.23 0.60 -3.76 120.40 116.75 1i4d s VAL 9 Ca 0.06 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.42 1i4d s VAL 9 Cb -0.15 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.81 1i4d s VAL 9 CO 0.01 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1i4d n GLY 10 N -1.13 3.73 3.44 2.32 0.00 -1.26 -1.10 105.19 111.18 1i4d n GLY 10 Ca -0.02 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1i4d n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i4d n ASP 11 N 0.00 -1.43 -4.78 1.61 9.92 -1.26 -4.21 116.55 116.40 1i4d n ASP 11 Ca 0.00 0.69 -0.36 0.00 -0.53 0.00 0.00 54.79 54.60 1i4d n ASP 11 Cb 0.00 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 39.31 1i4d n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1i4d s GLY 12 N -1.20 2.68 0.00 0.44 0.00 -1.26 -3.18 107.32 104.79 1i4d s GLY 12 Ca 0.67 0.74 0.00 0.00 0.00 0.00 0.00 44.72 46.13 1i4d s GLY 12 CO 0.57 1.14 0.00 0.00 0.00 0.00 0.00 173.10 174.81 1i4d n ALA 13 N -0.52 0.00 0.02 3.20 0.00 -1.26 -4.91 120.51 117.03 1i4d n ALA 13 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.46 1i4d n ALA 13 Cb 0.50 -0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 1i4d n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1i4d h VAL 14 N 0.00 0.89 0.00 0.00 -1.51 -1.92 -3.48 116.25 110.24 1i4d h VAL 14 Ca 0.00 -2.59 0.00 0.00 -1.23 0.00 0.00 66.70 62.88 1i4d h VAL 14 Cb 0.00 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 1i4d h VAL 14 CO 0.00 0.51 0.00 0.61 -1.23 0.00 0.00 177.57 177.46 1i4d n GLY 15 N 1.45 0.09 0.42 5.19 0.00 -1.26 -4.40 105.19 106.68 1i4d n GLY 15 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1i4d n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i4d h LYS 16 N 0.00 -0.31 -0.05 1.61 1.57 -1.93 -0.51 116.57 116.95 1i4d h LYS 16 Ca 0.00 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1i4d h LYS 16 Cb 0.00 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1i4d h LYS 16 CO 0.00 -0.21 -0.07 1.15 -0.57 0.00 0.00 179.45 179.75 1i4d h THR 17 N -0.33 0.81 -0.25 -0.16 2.02 -1.97 -2.44 112.91 110.59 1i4d h THR 17 Ca 0.12 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1i4d h THR 17 Cb 0.58 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1i4d h THR 17 CO -0.62 0.00 0.05 0.00 0.37 0.00 0.00 175.52 175.33 1i4d h LEU 19 N 0.36 -0.84 0.33 0.00 5.85 -0.63 0.31 115.31 120.68 1i4d h LEU 19 Ca 0.09 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1i4d h LEU 19 Cb 0.16 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1i4d h LEU 19 CO -0.00 -0.51 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.35 1i4d h LEU 20 N -0.80 -0.39 -0.35 2.25 3.38 -1.19 -1.39 115.31 116.82 1i4d h LEU 20 Ca -0.06 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1i4d h LEU 20 Cb 0.66 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1i4d h LEU 20 CO 0.04 -0.28 0.15 0.40 0.09 0.00 0.00 178.44 178.85 1i4d h ILE 21 N -0.45 0.95 -0.87 1.22 2.04 -1.29 -0.25 117.51 118.86 1i4d h ILE 21 Ca -0.04 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1i4d h ILE 21 Cb 0.35 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 1i4d h ILE 21 CO 0.07 0.06 0.57 -1.28 0.00 0.00 0.00 178.15 177.57 1i4d h SER 22 N 0.32 0.89 0.02 1.72 0.87 -0.28 -0.23 113.55 116.85 1i4d h SER 22 Ca 0.15 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.44 1i4d h SER 22 Cb 0.09 -0.19 0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1i4d h SER 22 CO -0.13 0.59 -1.07 0.22 -0.53 0.00 0.00 176.83 175.90 1i4d h TYR 23 N 1.02 1.05 0.01 2.24 3.20 -0.66 -0.71 116.97 123.12 1i4d h TYR 23 Ca 0.37 -0.58 -0.05 0.00 3.14 0.00 0.00 58.73 61.60 1i4d h TYR 23 Cb 0.15 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.31 1i4d h TYR 23 CO -0.00 1.42 -0.21 1.79 -1.64 0.00 0.00 178.16 179.52 1i4d h THR 24 N 0.38 1.60 0.06 1.81 1.35 -0.87 -3.38 112.91 113.87 1i4d h THR 24 Ca -0.14 -2.05 -0.10 0.00 -0.55 0.00 0.00 66.41 63.57 1i4d h THR 24 Cb 1.73 2.93 0.01 0.00 -1.73 0.00 0.00 68.15 71.09 1i4d h THR 24 CO 0.21 0.55 -0.47 0.71 -0.25 0.00 0.00 175.52 176.27 1i4d h THR 25 N -0.62 1.60 -0.06 6.82 1.35 -1.20 -3.49 112.91 117.31 1i4d h THR 25 Ca -0.03 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.41 1i4d h THR 25 Cb 1.02 3.22 0.00 0.00 -1.73 0.00 0.00 68.15 70.67 1i4d h THR 25 CO 0.04 0.64 0.00 0.59 -0.25 0.00 0.00 175.52 176.55 1i4d n ASN 26 N -4.37 -0.30 -3.41 5.36 4.13 -0.28 -5.06 115.26 111.33 1i4d n ASN 26 Ca -0.14 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.03 1i4d n ASN 26 Cb 0.65 -0.12 -0.09 0.00 -1.54 0.00 0.00 39.78 38.69 1i4d n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1i4d s ALA 27 N -2.06 -1.03 -0.18 5.41 0.00 -1.22 -5.04 121.76 117.64 1i4d s ALA 27 Ca 0.00 0.95 -0.39 0.00 0.00 0.00 0.00 51.96 52.52 1i4d s ALA 27 Cb 0.00 -1.58 -0.16 0.00 0.00 0.00 0.00 23.12 21.38 1i4d s ALA 27 CO 0.00 -1.17 1.62 0.34 0.00 0.00 0.00 175.76 176.56 1i4d n PHE 28 N 5.36 1.88 0.07 0.00 7.35 -1.26 -4.26 117.46 126.61 1i4d n PHE 28 Ca -0.04 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 1i4d n PHE 28 Cb 0.50 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.91 1i4d n PHE 28 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1i4d n PRO 29 N 4.53 0.14 -2.42 -7.13 -0.04 -1.26 -4.81 135.00 124.02 1i4d n PRO 29 Ca 0.24 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.30 1i4d n PRO 29 Cb 0.14 -1.43 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 1i4d n PRO 29 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1i4d s GLY 30 N 1.32 2.95 -0.22 0.55 0.00 -1.26 -3.63 107.32 107.03 1i4d s GLY 30 Ca 0.00 0.94 -0.00 0.00 0.00 0.00 0.00 44.72 45.66 1i4d s GLY 30 CO 0.00 1.64 0.21 1.18 0.00 0.00 0.00 173.10 176.12 1i4d n GLU 31 N 1.56 -0.40 0.00 2.90 1.02 -1.26 -4.84 120.64 119.62 1i4d n GLU 31 Ca 0.01 0.78 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 1i4d n GLU 31 Cb 0.45 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.11 1i4d n GLU 31 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1i4d n TYR 32 N -1.25 0.00 -1.51 -0.32 0.18 -1.26 -5.07 117.16 107.93 1i4d n TYR 32 Ca -0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1i4d n TYR 32 Cb 0.50 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.46 1i4d n TYR 32 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 1i4d n ILE 33 N 0.00 -0.33 -0.57 -3.48 2.08 -1.24 -4.95 119.36 110.87 1i4d n ILE 33 Ca 0.00 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.15 1i4d n ILE 33 Cb 0.00 -1.19 0.12 0.00 -0.75 0.00 0.00 39.64 37.82 1i4d n ILE 33 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1i4d n PRO 34 N 1.84 -1.89 -1.75 0.38 -0.04 -1.26 -4.99 135.00 127.29 1i4d n PRO 34 Ca 0.00 -0.56 -0.42 0.00 -0.04 0.00 0.00 63.50 62.49 1i4d n PRO 34 Cb 0.00 -1.40 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 1i4d n PRO 34 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1i4d s THR 35 N -2.06 2.00 0.00 0.52 2.01 -1.26 -5.00 115.64 111.85 1i4d s THR 35 Ca 0.31 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1i4d s THR 35 Cb -0.05 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1i4d s THR 35 CO 0.30 0.00 0.00 0.52 -0.69 0.00 0.00 174.62 174.75 1i4d n VAL 36 N 2.26 0.00 -1.71 3.82 0.31 -1.26 -3.76 118.33 117.98 1i4d n VAL 36 Ca 0.09 0.11 -0.39 0.00 -0.01 0.00 0.00 64.34 64.14 1i4d n VAL 36 Cb 0.37 -0.75 -0.02 0.00 -0.91 0.00 0.00 33.84 32.53 1i4d n VAL 36 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1i4d n PHE 37 N 0.00 2.50 -3.79 3.52 3.01 -1.26 -4.91 117.46 116.53 1i4d n PHE 37 Ca 0.00 -2.91 -0.36 0.00 1.01 0.00 0.00 57.45 55.19 1i4d n PHE 37 Cb 0.00 -2.09 -0.07 0.00 -0.01 0.00 0.00 39.48 37.31 1i4d n PHE 37 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1i4d s ASP 38 N 1.09 6.31 0.51 4.37 2.15 -1.25 -5.06 116.67 124.80 1i4d s ASP 38 Ca 0.60 0.37 0.09 0.00 0.43 0.00 0.00 52.55 54.04 1i4d s ASP 38 Cb 0.19 -2.09 0.05 0.00 -0.30 0.00 0.00 42.92 40.77 1i4d s ASP 38 CO -0.08 0.29 0.66 0.20 -0.17 0.00 0.00 175.17 176.06 1i4d s ASN 39 N -0.31 5.22 0.24 -0.34 0.01 -1.26 -4.57 114.94 113.93 1i4d s ASN 39 Ca 0.12 -0.75 0.01 0.00 -0.71 0.00 0.00 52.86 51.53 1i4d s ASN 39 Cb -0.12 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.46 1i4d s ASN 39 CO 0.01 -1.09 0.13 -0.31 -1.51 0.00 0.00 177.10 174.33 1i4d s TYR 40 N -2.57 1.38 0.10 2.20 1.51 0.31 -5.02 117.35 115.27 1i4d s TYR 40 Ca 0.56 -1.34 -0.21 0.00 -1.01 0.00 0.00 57.07 55.07 1i4d s TYR 40 Cb -0.06 -0.72 0.05 0.00 -0.11 0.00 0.00 41.96 41.12 1i4d s TYR 40 CO 0.35 -0.54 0.51 -1.54 -1.11 0.00 0.00 175.55 173.22 1i4d s SER 41 N -3.25 -0.43 -0.13 2.29 1.04 -1.26 0.52 113.70 112.47 1i4d s SER 41 Ca 0.38 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.63 1i4d s SER 41 Cb 0.07 0.52 0.05 0.00 0.10 0.00 0.00 66.02 66.75 1i4d s SER 41 CO 0.14 -0.82 0.50 0.00 0.98 0.00 0.00 173.24 174.04 1i4d s ALA 42 N -3.14 -1.25 -0.30 5.32 0.00 0.33 -4.95 121.76 117.77 1i4d s ALA 42 Ca -0.01 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 1i4d s ALA 42 Cb -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1i4d s ALA 42 CO -0.07 -0.27 0.19 -0.80 0.00 0.00 0.00 175.76 174.81 1i4d s ASN 43 N -0.28 5.84 0.23 0.00 0.02 -1.26 -0.84 114.94 118.64 1i4d s ASN 43 Ca -0.04 -0.29 0.01 0.00 -1.02 0.00 0.00 52.86 51.52 1i4d s ASN 43 Cb -0.03 -2.08 -0.05 0.00 0.02 0.00 0.00 41.25 39.11 1i4d s ASN 43 CO 0.03 -0.15 0.07 0.68 0.02 0.00 0.00 177.10 177.75 1i4d s VAL 44 N 1.70 0.56 -0.25 1.60 -7.23 -0.88 -4.99 120.40 110.90 1i4d s VAL 44 Ca 0.06 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.26 1i4d s VAL 44 Cb -0.17 -2.46 0.06 0.00 0.56 0.00 0.00 36.38 34.38 1i4d s VAL 44 CO 0.09 -0.16 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.59 1i4d s MET 45 N -4.00 2.08 -0.34 4.82 -1.94 -1.26 -1.17 119.30 117.49 1i4d s MET 45 Ca 0.33 -1.25 -0.03 0.00 -1.71 0.00 0.00 55.69 53.04 1i4d s MET 45 Cb 0.07 -2.81 0.07 0.00 2.01 0.00 0.00 34.83 34.17 1i4d s MET 45 CO 0.10 -0.58 0.07 0.08 -0.01 0.00 0.00 175.02 174.69 1i4d s VAL 46 N 1.18 3.17 -1.24 -6.03 1.01 -0.78 -4.62 120.40 113.09 1i4d s VAL 46 Ca -0.08 -1.55 -0.06 0.00 0.00 0.00 0.00 61.98 60.28 1i4d s VAL 46 Cb -0.20 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1i4d s VAL 46 CO -0.05 -0.29 1.07 0.47 0.00 0.00 0.00 175.10 176.30 1i4d n ASP 47 N 4.63 -5.07 -0.11 3.32 8.00 -1.26 -2.70 116.55 123.37 1i4d n ASP 47 Ca -0.10 -0.53 -0.01 0.00 0.71 0.00 0.00 54.79 54.86 1i4d n ASP 47 Cb 0.43 -4.79 -0.01 0.00 -0.02 0.00 0.00 41.12 36.74 1i4d n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4d n GLY 48 N -1.72 0.51 3.34 0.44 0.00 -1.26 -5.04 105.19 101.46 1i4d n GLY 48 Ca -0.06 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1i4d n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4d s LYS 49 N -1.17 2.38 0.13 1.61 1.02 -1.10 -5.10 119.74 117.51 1i4d s LYS 49 Ca 0.00 -0.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.84 1i4d s LYS 49 Cb 0.00 -2.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.07 1i4d s LYS 49 CO 0.00 0.51 0.93 -2.14 -0.92 0.00 0.00 175.35 173.72 1i4d s PRO 50 N -0.46 4.70 -0.01 -1.68 0.02 -1.26 -1.86 135.00 134.45 1i4d s PRO 50 Ca 0.05 1.40 0.01 0.00 0.02 0.00 0.00 61.00 62.49 1i4d s PRO 50 Cb -0.11 -3.36 -0.00 0.00 0.02 0.00 0.00 34.50 31.05 1i4d s PRO 50 CO 0.01 0.28 -0.04 0.08 -0.33 0.00 0.00 177.00 177.00 1i4d s VAL 51 N -0.24 0.33 -0.59 3.83 1.01 -0.31 -1.32 120.40 123.10 1i4d s VAL 51 Ca 0.45 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 1i4d s VAL 51 Cb -0.23 -0.29 0.15 0.00 0.00 0.00 0.00 36.38 36.01 1i4d s VAL 51 CO 0.29 0.10 0.48 0.20 0.00 0.00 0.00 175.10 176.17 1i4d s ASN 52 N -0.01 5.89 -0.24 3.32 -0.87 0.18 -2.08 114.94 121.14 1i4d s ASN 52 Ca 0.01 -2.29 -0.21 0.00 -1.57 0.00 0.00 52.86 48.80 1i4d s ASN 52 Cb -0.03 -2.04 -0.02 0.00 -0.02 0.00 0.00 41.25 39.14 1i4d s ASN 52 CO -0.00 -0.61 0.66 -0.22 -2.57 0.00 0.00 177.10 174.36 1i4d s LEU 53 N 0.80 4.09 -0.21 0.60 2.96 -0.02 -1.77 118.68 125.13 1i4d s LEU 53 Ca 0.11 0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 54.71 1i4d s LEU 53 Cb -0.22 -2.91 -0.05 0.00 0.50 0.00 0.00 46.19 43.51 1i4d s LEU 53 CO -0.03 -0.36 0.14 -0.83 -1.32 0.00 0.00 176.35 173.94 1i4d s GLY 54 N 1.38 2.03 -0.26 7.98 0.00 -0.12 -0.51 107.32 117.80 1i4d s GLY 54 Ca 0.28 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 44.24 1i4d s GLY 54 CO 0.09 0.19 -0.03 1.08 0.00 0.00 0.00 173.10 174.44 1i4d s LEU 55 N 0.51 3.40 -0.25 0.66 1.43 0.18 -1.45 118.68 123.16 1i4d s LEU 55 Ca 0.08 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.18 1i4d s LEU 55 Cb -0.12 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1i4d s LEU 55 CO -0.01 -0.16 0.17 0.26 0.23 0.00 0.00 176.35 176.85 1i4d s TRP 56 N 1.35 3.28 0.37 0.29 0.52 -0.80 -0.53 118.94 123.42 1i4d s TRP 56 Ca -0.00 0.19 -0.01 0.00 0.02 0.00 0.00 56.10 56.29 1i4d s TRP 56 Cb -0.17 -2.31 -0.04 0.00 -1.15 0.00 0.00 33.47 29.80 1i4d s TRP 56 CO -0.03 -0.02 0.60 0.34 0.02 0.00 0.00 176.95 177.87 1i4d s ASP 57 N 1.31 6.30 0.19 2.95 -1.08 -1.26 -1.16 116.67 123.93 1i4d s ASP 57 Ca 0.07 0.59 -0.01 0.00 -0.52 0.00 0.00 52.55 52.68 1i4d s ASP 57 Cb -0.14 -2.09 -0.04 0.00 -1.46 0.00 0.00 42.92 39.18 1i4d s ASP 57 CO 0.07 -0.35 0.13 0.42 0.52 0.00 0.00 175.17 175.96 1i4d s THR 58 N -2.39 0.01 -0.28 1.71 -4.23 -1.25 -4.90 115.64 104.31 1i4d s THR 58 Ca 0.42 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.81 1i4d s THR 58 Cb -0.10 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1i4d s THR 58 CO 0.37 -0.04 0.29 0.00 -0.54 0.00 0.00 174.62 174.70 1i4d s ALA 59 N -4.15 3.55 0.11 3.99 0.00 -1.26 -4.97 121.76 119.03 1i4d s ALA 59 Ca 0.38 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1i4d s ALA 59 Cb 0.07 -2.60 -0.13 0.00 0.00 0.00 0.00 23.12 20.46 1i4d s ALA 59 CO 0.11 -0.61 1.33 0.78 0.00 0.00 0.00 175.76 177.37 1i4d h GLY 60 N 8.49 0.87 -3.40 0.00 0.00 -1.88 -3.45 103.07 103.70 1i4d h GLY 60 Ca -0.33 -1.19 -0.57 0.00 0.00 0.00 0.00 47.33 45.24 1i4d h GLY 60 CO 0.60 1.06 -1.43 -1.06 0.00 0.00 0.00 176.54 175.71 1i4d n GLN 61 N -3.94 0.01 -0.08 4.80 3.00 -1.26 -4.73 117.38 115.18 1i4d n GLN 61 Ca -0.07 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.83 1i4d n GLN 61 Cb 0.73 -1.07 -0.03 0.00 0.00 0.00 0.00 30.24 29.86 1i4d n GLN 61 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1i4d h GLU 62 N -0.53 0.41 -0.35 -1.09 5.08 -2.02 -2.85 114.58 113.24 1i4d h GLU 62 Ca -0.43 -0.09 0.10 0.00 -1.00 0.00 0.00 59.36 57.95 1i4d h GLU 62 Cb 1.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1i4d h GLU 62 CO 0.33 0.47 0.82 -0.44 -1.00 0.00 0.00 179.01 179.19 1i4d h ASP 63 N 0.27 0.00 -0.37 1.42 3.32 -1.97 1.23 116.42 120.31 1i4d h ASP 63 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1i4d h ASP 63 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1i4d h ASP 63 CO -0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1i4d n TYR 64 N -2.98 0.48 -0.24 4.55 4.02 -1.08 -4.46 117.16 117.45 1i4d n TYR 64 Ca 0.07 -0.25 0.27 0.00 -0.01 0.00 0.00 57.90 57.98 1i4d n TYR 64 Cb 0.94 -0.00 0.65 0.00 -0.02 0.00 0.00 39.34 40.92 1i4d n TYR 64 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i4d h ASP 65 N 4.29 0.15 0.35 7.72 3.32 0.15 0.37 116.42 132.77 1i4d h ASP 65 Ca 0.00 0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.75 1i4d h ASP 65 Cb 0.96 -0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.54 1i4d h ASP 65 CO 0.00 0.04 -1.44 0.03 -1.72 0.00 0.00 179.24 176.16 1i4d h ARG 66 N 0.14 0.48 0.00 3.56 -0.00 -1.78 -3.40 114.38 113.38 1i4d h ARG 66 Ca 0.48 -0.82 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 1i4d h ARG 66 Cb 1.66 0.30 0.00 0.00 0.00 0.00 0.00 29.97 31.94 1i4d h ARG 66 CO -0.08 1.39 -1.65 1.47 0.00 0.00 0.00 179.97 181.10 1i4d n LEU 67 N -3.67 0.30 -0.28 3.04 -0.00 -0.40 -4.44 117.00 111.54 1i4d n LEU 67 Ca -0.15 -0.16 -0.01 0.00 -0.00 0.00 0.00 56.01 55.69 1i4d n LEU 67 Cb 1.09 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.62 1i4d n LEU 67 CO 0.59 0.07 1.17 -0.09 -0.00 0.00 0.00 177.39 179.13 1i4d h ARG 68 N 0.00 0.89 0.00 1.47 2.43 -0.53 -1.83 114.38 116.81 1i4d h ARG 68 Ca 0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1i4d h ARG 68 Cb 0.81 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1i4d h ARG 68 CO 0.00 0.59 -0.02 -1.35 -1.51 0.00 0.00 179.97 177.67 1i4d h PRO 69 N 0.92 0.00 0.00 0.20 0.11 -1.80 -2.62 132.00 128.81 1i4d h PRO 69 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1i4d h PRO 69 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1i4d h PRO 69 CO -0.15 0.02 0.14 1.28 -0.21 0.00 0.00 178.00 179.09 1i4d n LEU 70 N -3.35 0.17 0.02 2.35 4.77 -0.69 0.41 117.00 120.67 1i4d n LEU 70 Ca -0.02 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.55 1i4d n LEU 70 Cb 0.14 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1i4d n LEU 70 CO 0.24 -0.54 -0.01 -1.54 -1.33 0.00 0.00 177.39 174.22 1i4d n SER 71 N -1.68 0.63 -0.18 -1.43 3.41 -0.99 -4.50 113.62 108.88 1i4d n SER 71 Ca -0.00 -0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 58.23 1i4d n SER 71 Cb 0.16 0.84 0.12 0.00 -0.26 0.00 0.00 64.21 65.07 1i4d n SER 71 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1i4d h TYR 72 N 0.00 1.00 -2.33 7.33 -1.99 -0.25 -3.44 116.97 117.30 1i4d h TYR 72 Ca 0.00 -0.11 -0.61 0.00 2.00 0.00 0.00 58.73 60.01 1i4d h TYR 72 Cb 0.69 -0.28 0.07 0.00 2.00 0.00 0.00 36.73 39.20 1i4d h TYR 72 CO 0.00 0.84 0.56 -2.30 -0.00 0.00 0.00 178.16 177.26 1i4d n PRO 73 N -4.24 1.77 -0.95 4.88 -0.02 -1.26 -1.98 135.00 133.20 1i4d n PRO 73 Ca 0.04 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1i4d n PRO 73 Cb 0.26 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1i4d n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1i4d n GLN 74 N 2.31 -0.21 -2.11 -0.52 6.02 -1.26 -5.02 117.38 116.59 1i4d n GLN 74 Ca 0.14 0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.80 1i4d n GLN 74 Cb 0.28 -3.17 -0.00 0.00 1.02 0.00 0.00 30.24 28.37 1i4d n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1i4d s THR 75 N -2.56 2.76 -0.09 5.09 2.01 -0.84 -4.75 115.64 117.25 1i4d s THR 75 Ca 0.00 0.63 0.18 0.00 0.31 0.00 0.00 61.69 62.81 1i4d s THR 75 Cb 0.00 -3.35 -0.27 0.00 0.01 0.00 0.00 72.50 68.89 1i4d s THR 75 CO 0.00 0.05 0.28 0.47 -0.69 0.00 0.00 174.62 174.73 1i4d n ASP 76 N -0.19 0.44 -3.58 3.53 8.00 0.12 -4.99 116.55 119.88 1i4d n ASP 76 Ca 0.06 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.42 1i4d n ASP 76 Cb 0.45 1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 42.99 1i4d n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1i4d s VAL 77 N -2.98 0.00 0.19 2.53 0.11 -1.16 -4.08 120.40 115.01 1i4d s VAL 77 Ca -0.08 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.05 1i4d s VAL 77 Cb 0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1i4d s VAL 77 CO 0.80 0.00 -0.05 -0.36 -3.33 0.00 0.00 175.10 172.16 1i4d s PHE 78 N -0.60 2.71 -0.27 1.54 0.40 0.21 -2.50 117.98 119.48 1i4d s PHE 78 Ca -0.04 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 1i4d s PHE 78 Cb -0.02 -1.30 0.07 0.00 0.51 0.00 0.00 43.02 42.28 1i4d s PHE 78 CO 0.03 0.53 -0.05 -0.51 0.70 0.00 0.00 175.22 175.93 1i4d s LEU 79 N -3.02 3.25 -0.25 -0.37 1.43 -0.45 -1.22 118.68 118.06 1i4d s LEU 79 Ca 0.27 -1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 51.76 1i4d s LEU 79 Cb -0.08 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1i4d s LEU 79 CO 0.17 -0.26 0.38 -0.63 0.23 0.00 0.00 176.35 176.25 1i4d s ILE 80 N 1.22 5.18 0.11 -0.59 1.01 -0.66 -0.29 121.20 127.18 1i4d s ILE 80 Ca -0.03 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.31 1i4d s ILE 80 Cb -0.19 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1i4d s ILE 80 CO -0.07 0.18 -0.11 0.00 0.00 0.00 0.00 174.94 174.94 1i4d s PHE 82 N -1.23 0.13 -0.22 0.00 -0.71 -0.64 -4.23 117.98 111.09 1i4d s PHE 82 Ca 0.21 -0.36 -0.21 0.00 -1.04 0.00 0.00 56.93 55.53 1i4d s PHE 82 Cb -0.11 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.58 1i4d s PHE 82 CO 0.13 -0.35 0.66 0.45 -1.34 0.00 0.00 175.22 174.77 1i4d s SER 83 N -1.90 6.68 0.55 1.98 0.15 -1.26 -0.55 113.70 119.35 1i4d s SER 83 Ca -0.08 0.83 0.28 0.00 0.70 0.00 0.00 55.95 57.68 1i4d s SER 83 Cb -0.03 -2.36 1.46 0.00 -1.71 0.00 0.00 66.02 63.38 1i4d s SER 83 CO -0.03 -0.33 1.94 -0.07 1.20 0.00 0.00 173.24 175.95 1i4d h LEU 84 N 8.53 0.00 -3.57 3.45 3.38 -1.40 0.23 115.31 125.93 1i4d h LEU 84 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1i4d h LEU 84 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1i4d h LEU 84 CO 0.78 0.00 0.01 1.33 0.09 0.00 0.00 178.44 180.65 1i4d n VAL 85 N -4.12 2.78 -3.54 1.22 0.24 -1.26 -0.28 118.33 113.36 1i4d n VAL 85 Ca 0.12 -1.43 -0.29 0.00 -2.04 0.00 0.00 64.34 60.69 1i4d n VAL 85 Cb 0.72 -0.28 -0.13 0.00 -1.47 0.00 0.00 33.84 32.68 1i4d n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1i4d s SER 86 N -0.83 3.29 0.58 -1.34 0.15 0.81 -4.88 113.70 111.49 1i4d s SER 86 Ca 0.55 -2.02 0.28 0.00 0.70 0.00 0.00 55.95 55.46 1i4d s SER 86 Cb 0.42 -0.53 1.69 0.00 -1.71 0.00 0.00 66.02 65.89 1i4d s SER 86 CO 0.16 -0.34 2.18 -0.65 1.20 0.00 0.00 173.24 175.78 1i4d h PRO 87 N 7.36 0.00 -0.18 5.44 0.11 -1.86 -2.15 132.00 140.73 1i4d h PRO 87 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1i4d h PRO 87 Cb 0.98 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1i4d h PRO 87 CO 0.35 0.00 0.11 0.00 -0.21 0.00 0.00 178.00 178.25 1i4d h ALA 88 N 1.90 0.23 -0.32 -0.75 0.00 -1.94 -1.67 119.26 116.71 1i4d h ALA 88 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1i4d h ALA 88 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1i4d h ALA 88 CO -0.00 -0.26 -0.31 0.66 0.00 0.00 0.00 179.25 179.34 1i4d h SER 89 N 0.20 0.70 0.46 0.00 4.64 -1.72 -2.85 113.55 114.99 1i4d h SER 89 Ca 0.06 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1i4d h SER 89 Cb 0.04 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1i4d h SER 89 CO -0.01 0.97 -0.42 0.15 -0.87 0.00 0.00 176.83 176.65 1i4d h PHE 90 N 0.57 -1.13 -0.91 4.77 3.57 -1.29 -2.14 116.94 120.38 1i4d h PHE 90 Ca 0.07 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.72 1i4d h PHE 90 Cb 0.82 0.43 -0.09 0.00 2.79 0.00 0.00 35.95 39.90 1i4d h PHE 90 CO 0.04 -0.58 0.52 1.49 -2.23 0.00 0.00 178.31 177.54 1i4d h GLU 91 N -0.88 0.71 0.00 1.11 4.57 -1.30 0.67 114.58 119.45 1i4d h GLU 91 Ca -0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1i4d h GLU 91 Cb 0.77 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1i4d h GLU 91 CO -0.04 0.47 0.00 -0.91 -1.18 0.00 0.00 179.01 177.36 1i4d h ASN 92 N 0.73 0.00 0.77 1.04 2.35 -1.15 -2.50 115.58 116.83 1i4d h ASN 92 Ca 0.50 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.21 1i4d h ASN 92 Cb 0.68 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 1i4d h ASN 92 CO -0.35 0.00 -0.47 0.58 -1.65 0.00 0.00 177.43 175.55 1i4d h VAL 93 N 0.00 0.00 -0.06 2.81 2.07 -0.62 0.45 116.25 120.90 1i4d h VAL 93 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1i4d h VAL 93 Cb 0.01 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1i4d h VAL 93 CO 0.00 0.00 -0.70 0.08 0.02 0.00 0.00 177.57 176.97 1i4d h ARG 94 N -1.16 0.29 -0.67 1.57 0.11 -1.71 0.31 114.38 113.13 1i4d h ARG 94 Ca -0.10 -0.23 -0.00 0.00 0.10 0.00 0.00 59.98 59.74 1i4d h ARG 94 Cb 0.92 0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.02 1i4d h ARG 94 CO 0.11 0.87 0.41 0.00 0.10 0.00 0.00 179.97 181.46 1i4d h ALA 95 N 1.06 0.85 0.00 0.08 0.00 -1.27 -3.39 119.26 116.59 1i4d h ALA 95 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1i4d h ALA 95 Cb 1.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1i4d h ALA 95 CO 0.11 0.32 -0.05 1.17 0.00 0.00 0.00 179.25 180.80 1i4d n LYS 96 N -4.58 0.00 0.02 0.00 4.81 0.16 -4.85 118.16 113.72 1i4d n LYS 96 Ca 0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.39 1i4d n LYS 96 Cb 0.05 -0.31 -0.04 0.00 0.02 0.00 0.00 35.03 34.75 1i4d n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1i4d h TRP 97 N 0.00 -0.22 0.16 5.64 4.06 -1.43 -1.86 115.95 122.30 1i4d h TRP 97 Ca 0.00 0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.97 1i4d h TRP 97 Cb 0.05 0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 1i4d h TRP 97 CO 0.00 -0.14 -0.18 -0.92 -3.56 0.00 0.00 178.44 173.65 1i4d h TYR 98 N -0.12 -0.46 -0.81 0.49 3.20 -1.16 -0.04 116.97 118.06 1i4d h TYR 98 Ca 0.06 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.97 1i4d h TYR 98 Cb 0.20 0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1i4d h TYR 98 CO -0.19 -0.27 0.53 -1.35 -1.64 0.00 0.00 178.16 175.25 1i4d h PRO 99 N -0.38 0.97 0.28 1.82 0.11 -1.74 0.01 132.00 133.08 1i4d h PRO 99 Ca 0.01 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1i4d h PRO 99 Cb 0.36 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1i4d h PRO 99 CO -0.06 0.64 -0.13 1.49 -0.21 0.00 0.00 178.00 179.73 1i4d h GLU 100 N 1.00 -0.36 -0.03 1.05 4.81 -0.82 0.47 114.58 120.70 1i4d h GLU 100 Ca 0.32 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1i4d h GLU 100 Cb 0.04 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.50 1i4d h GLU 100 CO -0.09 -0.11 0.02 0.28 -0.73 0.00 0.00 179.01 178.38 1i4d h VAL 101 N -0.57 0.87 0.15 0.32 2.07 -0.77 -2.17 116.25 116.16 1i4d h VAL 101 Ca -0.04 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.28 1i4d h VAL 101 Cb 0.41 0.98 0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1i4d h VAL 101 CO 0.06 0.00 -0.89 0.03 0.02 0.00 0.00 177.57 176.79 1i4d h ARG 102 N 0.00 0.32 -0.52 1.57 2.47 -0.62 0.21 114.38 117.80 1i4d h ARG 102 Ca 0.01 -0.54 0.10 0.00 -1.26 0.00 0.00 59.98 58.29 1i4d h ARG 102 Cb 0.06 0.20 -0.11 0.00 -1.65 0.00 0.00 29.97 28.47 1i4d h ARG 102 CO -0.00 1.26 -0.29 1.25 0.56 0.00 0.00 179.97 182.75 1i4d h HIS 103 N -0.33 -0.78 0.05 3.04 2.76 0.52 -2.80 115.15 117.62 1i4d h HIS 103 Ca -0.16 0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 57.92 1i4d h HIS 103 Cb 1.69 0.42 0.01 0.00 1.55 0.00 0.00 27.41 31.08 1i4d h HIS 103 CO 0.19 -0.36 -0.62 0.45 -1.30 0.00 0.00 177.93 176.30 1i4d h HIS 104 N -0.16 0.52 -3.02 5.26 3.86 -1.52 -3.42 115.15 116.67 1i4d h HIS 104 Ca 0.22 -0.32 -0.62 0.00 -1.16 0.00 0.00 60.37 58.50 1i4d h HIS 104 Cb 0.52 -0.05 -0.41 0.00 1.06 0.00 0.00 27.41 28.54 1i4d h HIS 104 CO -0.57 1.18 -0.68 0.00 0.86 0.00 0.00 177.93 178.72 1i4d s PRO 106 N -0.58 4.45 0.00 0.00 0.04 -1.08 -3.60 135.00 134.23 1i4d s PRO 106 Ca 0.23 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1i4d s PRO 106 Cb -0.13 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1i4d s PRO 106 CO -0.10 -0.17 0.00 0.09 0.04 0.00 0.00 177.00 176.87 1i4d n ASN 107 N 4.48 0.00 -4.76 6.66 5.03 -1.26 -5.10 115.26 120.31 1i4d n ASN 107 Ca 0.05 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.15 1i4d n ASN 107 Cb 0.50 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 39.18 1i4d n ASN 107 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1i4d s THR 108 N -2.00 5.30 -0.25 3.41 2.01 -1.24 -5.03 115.64 117.84 1i4d s THR 108 Ca 0.00 0.14 -0.40 0.00 0.31 0.00 0.00 61.69 61.74 1i4d s THR 108 Cb 0.00 -3.37 -0.16 0.00 0.01 0.00 0.00 72.50 68.98 1i4d s THR 108 CO 0.00 0.51 1.71 -2.65 -0.69 0.00 0.00 174.62 173.50 1i4d n PRO 109 N 2.96 1.13 -4.76 4.92 -0.02 -1.26 -4.80 135.00 133.18 1i4d n PRO 109 Ca -0.17 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1i4d n PRO 109 Cb 0.53 -2.09 -0.12 0.00 -0.02 0.00 0.00 33.50 31.80 1i4d n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i4d s ILE 110 N 3.27 3.34 -0.10 4.25 1.01 -1.26 -0.62 121.20 131.10 1i4d s ILE 110 Ca 0.97 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 61.01 1i4d s ILE 110 Cb -1.07 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1i4d s ILE 110 CO 0.64 0.58 -0.06 -0.63 0.00 0.00 0.00 174.94 175.48 1i4d s ILE 111 N -0.60 0.87 -0.22 2.92 1.01 -0.35 -1.81 121.20 123.02 1i4d s ILE 111 Ca 0.09 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.31 1i4d s ILE 111 Cb -0.11 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 1i4d s ILE 111 CO 0.01 0.34 0.69 -0.22 0.00 0.00 0.00 174.94 175.76 1i4d s LEU 112 N 1.65 4.11 -0.15 2.97 2.96 -0.84 -1.65 118.68 127.73 1i4d s LEU 112 Ca 0.03 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.81 1i4d s LEU 112 Cb -0.13 -2.97 -0.00 0.00 0.50 0.00 0.00 46.19 43.58 1i4d s LEU 112 CO -0.06 -0.36 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.77 1i4d s VAL 113 N 2.29 2.71 -0.23 1.68 1.01 -0.13 -0.72 120.40 127.01 1i4d s VAL 113 Ca 0.30 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.37 1i4d s VAL 113 Cb -0.16 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1i4d s VAL 113 CO 0.09 0.51 0.37 -0.83 0.00 0.00 0.00 175.10 175.25 1i4d s GLY 114 N 0.77 2.01 0.47 4.51 0.00 0.50 -1.62 107.32 113.96 1i4d s GLY 114 Ca -0.06 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.08 1i4d s GLY 114 CO 0.01 0.84 0.42 -0.51 0.00 0.00 0.00 173.10 173.85 1i4d s THR 115 N 1.54 2.31 -1.52 0.90 -4.23 0.28 -0.14 115.64 114.78 1i4d s THR 115 Ca 0.17 -1.37 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 1i4d s THR 115 Cb -0.15 -2.68 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1i4d s THR 115 CO 0.08 0.00 0.64 0.29 -0.54 0.00 0.00 174.62 175.09 1i4d n LYS 116 N -1.66 -4.97 -0.34 3.99 5.02 -0.83 -1.09 118.16 118.28 1i4d n LYS 116 Ca 0.03 0.86 0.12 0.00 -2.02 0.00 0.00 58.31 57.30 1i4d n LYS 116 Cb 0.63 -5.72 0.31 0.00 -0.02 0.00 0.00 35.03 30.22 1i4d n LYS 116 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1i4d h LEU 117 N -1.44 0.70 -2.16 -0.35 5.85 -1.40 0.12 115.31 116.63 1i4d h LEU 117 Ca -0.53 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.36 1i4d h LEU 117 Cb 1.36 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1i4d h LEU 117 CO 0.57 0.23 0.29 -2.24 -0.34 0.00 0.00 178.44 176.94 1i4d h ASP 118 N 0.69 0.00 0.65 1.25 2.03 -1.90 -2.07 116.42 117.08 1i4d h ASP 118 Ca 0.57 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.60 1i4d h ASP 118 Cb 0.90 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.37 1i4d h ASP 118 CO -0.40 0.00 -1.44 -0.07 -1.03 0.00 0.00 179.24 176.30 1i4d h LEU 119 N 0.00 0.08 -2.17 0.15 3.38 -1.12 -3.32 115.31 112.31 1i4d h LEU 119 Ca 0.10 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1i4d h LEU 119 Cb 0.67 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1i4d h LEU 119 CO -0.00 1.11 0.28 -0.09 0.09 0.00 0.00 178.44 179.82 1i4d h ARG 120 N 0.01 0.00 -0.17 1.13 2.43 -1.37 0.26 114.38 116.68 1i4d h ARG 120 Ca -0.19 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1i4d h ARG 120 Cb 1.93 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.45 1i4d h ARG 120 CO 0.11 0.00 -0.12 -0.25 -1.51 0.00 0.00 179.97 178.20 1i4d n ASP 121 N -3.52 2.64 -4.79 -3.80 8.00 -1.25 -4.90 116.55 108.92 1i4d n ASP 121 Ca 0.02 -3.43 -0.38 0.00 0.71 0.00 0.00 54.79 51.70 1i4d n ASP 121 Cb 0.39 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 1i4d n ASP 121 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1i4d s ASP 122 N -2.62 6.93 0.02 -2.24 2.15 0.91 -5.03 116.67 116.79 1i4d s ASP 122 Ca 0.39 1.10 -0.09 0.00 0.43 0.00 0.00 52.55 54.39 1i4d s ASP 122 Cb 0.35 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 1i4d s ASP 122 CO 0.02 0.21 1.13 0.07 -0.17 0.00 0.00 175.17 176.43 1i4d h LYS 123 N 5.12 -0.27 -0.38 4.34 2.10 -1.94 -1.20 116.57 124.33 1i4d h LYS 123 Ca -0.48 0.02 0.04 0.00 -2.00 0.00 0.00 60.65 58.23 1i4d h LYS 123 Cb 1.21 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1i4d h LYS 123 CO 0.66 -0.18 0.26 0.22 -2.00 0.00 0.00 179.45 178.41 1i4d h ASP 124 N -0.28 0.30 -0.06 7.07 3.58 -1.96 -1.02 116.42 124.03 1i4d h ASP 124 Ca -0.02 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1i4d h ASP 124 Cb 0.23 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1i4d h ASP 124 CO 0.02 0.20 -0.29 0.74 -2.88 0.00 0.00 179.24 177.04 1i4d h THR 125 N 0.34 1.28 -0.39 2.25 2.02 -1.86 0.88 112.91 117.43 1i4d h THR 125 Ca 0.16 -1.36 -0.10 0.00 0.77 0.00 0.00 66.41 65.88 1i4d h THR 125 Cb 0.22 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 1i4d h THR 125 CO -0.04 0.43 -0.16 0.40 0.37 0.00 0.00 175.52 176.53 1i4d h ILE 126 N 0.45 1.28 0.02 3.11 1.08 0.01 -2.32 117.51 121.14 1i4d h ILE 126 Ca 0.06 -1.28 -0.00 0.00 -0.39 0.00 0.00 64.86 63.25 1i4d h ILE 126 Cb 0.73 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1i4d h ILE 126 CO 0.06 0.43 -0.01 -0.08 -0.69 0.00 0.00 178.15 177.86 1i4d h GLU 127 N 0.61 -0.02 -0.57 2.37 4.22 -0.85 -0.12 114.58 120.21 1i4d h GLU 127 Ca 0.09 0.00 0.08 0.00 0.08 0.00 0.00 59.36 59.61 1i4d h GLU 127 Cb 0.70 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1i4d h GLU 127 CO 0.05 0.58 0.23 0.87 -2.18 0.00 0.00 179.01 178.56 1i4d h LYS 128 N -0.64 0.41 -0.86 1.92 1.79 0.69 0.13 116.57 120.01 1i4d h LYS 128 Ca -0.00 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1i4d h LYS 128 Cb 0.61 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.13 1i4d h LYS 128 CO 0.00 0.27 0.53 -0.07 -1.08 0.00 0.00 179.45 179.11 1i4d h LEU 129 N 0.42 1.03 -1.02 2.94 3.38 -1.43 -2.31 115.31 118.32 1i4d h LEU 129 Ca 0.28 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.25 1i4d h LEU 129 Cb 0.31 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1i4d h LEU 129 CO -0.27 0.78 0.65 0.50 0.09 0.00 0.00 178.44 180.19 1i4d h LYS 130 N 1.18 1.18 -0.96 1.13 3.64 0.11 -1.12 116.57 121.73 1i4d h LYS 130 Ca 0.31 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.75 1i4d h LYS 130 Cb -0.07 -0.27 -0.09 0.00 -0.41 0.00 0.00 32.23 31.39 1i4d h LYS 130 CO -0.06 0.78 0.58 0.93 -2.27 0.00 0.00 179.45 179.41 1i4d h GLU 131 N 1.21 0.86 -0.83 1.90 5.08 -0.49 0.40 114.58 122.72 1i4d h GLU 131 Ca 0.42 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1i4d h GLU 131 Cb 0.09 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1i4d h GLU 131 CO -0.15 0.57 0.00 1.63 -1.00 0.00 0.00 179.01 180.06 1i4d n LYS 132 N -4.69 2.59 -4.13 2.33 5.02 -0.50 -4.88 118.16 113.90 1i4d n LYS 132 Ca 0.19 -1.28 -0.36 0.00 -2.02 0.00 0.00 58.31 54.83 1i4d n LYS 132 Cb 0.39 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1i4d n LYS 132 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1i4d n LYS 133 N 0.25 -1.05 -4.24 1.97 2.85 0.14 -4.96 118.16 113.13 1i4d n LYS 133 Ca 0.11 0.16 -0.13 0.00 -1.05 0.00 0.00 58.31 57.40 1i4d n LYS 133 Cb 0.64 -3.38 -0.10 0.00 -0.65 0.00 0.00 35.03 31.54 1i4d n LYS 133 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1i4d s LEU 134 N -7.29 2.33 -0.08 -5.58 2.96 -0.74 -5.02 118.68 105.26 1i4d s LEU 134 Ca 0.22 -1.10 -0.18 0.00 -0.22 0.00 0.00 54.13 52.85 1i4d s LEU 134 Cb -0.11 -0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.46 1i4d s LEU 134 CO 0.96 -0.48 0.44 0.28 -1.32 0.00 0.00 176.35 176.24 1i4d s THR 135 N -3.54 0.02 0.89 3.68 -1.32 -1.26 -3.46 115.64 110.65 1i4d s THR 135 Ca 0.20 -0.20 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1i4d s THR 135 Cb 0.05 -0.70 -0.09 0.00 -1.51 0.00 0.00 72.50 70.25 1i4d s THR 135 CO 0.01 -0.11 -0.23 -2.65 -2.21 0.00 0.00 174.62 169.44 1i4d n PRO 136 N 1.81 -0.04 -3.02 7.08 -0.02 -1.26 -4.81 135.00 134.74 1i4d n PRO 136 Ca -0.18 0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 60.91 1i4d n PRO 136 Cb 0.56 -1.34 -0.05 0.00 -0.02 0.00 0.00 33.50 32.66 1i4d n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i4d s ILE 137 N -2.09 5.01 0.49 4.25 -1.09 0.61 -5.02 121.20 123.35 1i4d s ILE 137 Ca 0.50 1.45 -0.09 0.00 -2.23 0.00 0.00 60.65 60.28 1i4d s ILE 137 Cb -0.25 -4.05 -0.05 0.00 -1.58 0.00 0.00 42.46 36.53 1i4d s ILE 137 CO 0.74 0.18 0.86 0.42 -1.23 0.00 0.00 174.94 175.90 1i4d s THR 138 N 1.26 4.79 0.35 2.92 -4.23 -1.26 -4.91 115.64 114.57 1i4d s THR 138 Ca 0.36 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.51 1i4d s THR 138 Cb -0.17 -3.81 0.30 0.00 1.34 0.00 0.00 72.50 70.15 1i4d s THR 138 CO 0.16 -0.81 1.93 0.22 -0.54 0.00 0.00 174.62 175.58 1i4d h TYR 139 N 0.47 0.82 -0.62 3.99 5.03 -1.99 0.03 116.97 124.71 1i4d h TYR 139 Ca -0.46 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 60.80 1i4d h TYR 139 Cb 1.19 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.18 1i4d h TYR 139 CO 0.61 0.40 0.11 -1.35 -1.32 0.00 0.00 178.16 176.61 1i4d h PRO 140 N 0.78 1.01 -0.41 1.82 0.11 -1.98 0.64 132.00 133.97 1i4d h PRO 140 Ca 0.36 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1i4d h PRO 140 Cb 0.39 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1i4d h PRO 140 CO -0.14 0.94 0.22 1.96 -0.21 0.00 0.00 178.00 180.78 1i4d h GLN 141 N 0.92 0.56 -0.68 1.05 4.20 -1.55 0.26 115.11 119.88 1i4d h GLN 141 Ca 0.19 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 1i4d h GLN 141 Cb 0.41 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1i4d h GLN 141 CO 0.01 0.45 0.22 0.78 -0.67 0.00 0.00 178.83 179.62 1i4d h GLY 142 N 0.52 1.10 0.97 3.46 0.00 -0.80 -1.65 103.07 106.68 1i4d h GLY 142 Ca 0.14 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1i4d h GLY 142 CO -0.02 0.58 0.04 -2.00 0.00 0.00 0.00 176.54 175.14 1i4d h LEU 143 N 0.99 0.75 -0.57 3.11 5.85 -0.42 -0.70 115.31 124.32 1i4d h LEU 143 Ca 0.22 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1i4d h LEU 143 Cb 0.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1i4d h LEU 143 CO -0.01 0.84 0.31 0.00 -0.34 0.00 0.00 178.44 179.24 1i4d h ALA 144 N 0.93 0.74 -0.24 1.25 0.00 -0.11 -1.88 119.26 119.94 1i4d h ALA 144 Ca 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1i4d h ALA 144 Cb 0.43 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1i4d h ALA 144 CO 0.01 0.25 0.15 1.98 0.00 0.00 0.00 179.25 181.65 1i4d h MET 145 N 0.77 0.33 -0.91 0.00 1.85 -1.16 0.20 114.93 116.02 1i4d h MET 145 Ca 0.20 -0.03 0.18 0.00 -0.61 0.00 0.00 59.70 59.44 1i4d h MET 145 Cb 0.05 -0.07 -0.07 0.00 0.43 0.00 0.00 31.60 31.93 1i4d h MET 145 CO -0.03 0.25 0.59 0.00 -0.40 0.00 0.00 176.91 177.31 1i4d h ALA 146 N 1.06 1.97 0.08 0.39 0.00 -0.76 -0.93 119.26 121.08 1i4d h ALA 146 Ca 0.09 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 1i4d h ALA 146 Cb -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.73 1i4d h ALA 146 CO -0.02 -0.25 -0.84 0.87 0.00 0.00 0.00 179.25 179.01 1i4d h LYS 147 N 0.57 0.42 -0.97 0.00 1.57 -0.47 0.25 116.57 117.95 1i4d h LYS 147 Ca 0.47 -0.57 0.14 0.00 -1.87 0.00 0.00 60.65 58.83 1i4d h LYS 147 Cb 0.94 0.19 -0.09 0.00 0.08 0.00 0.00 32.23 33.35 1i4d h LYS 147 CO -0.22 1.22 0.59 1.49 -0.57 0.00 0.00 179.45 181.97 1i4d h GLU 148 N -0.11 0.85 -0.39 3.15 4.81 0.68 -0.37 114.58 123.19 1i4d h GLU 148 Ca -0.13 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1i4d h GLU 148 Cb 1.58 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1i4d h GLU 148 CO 0.16 0.56 0.00 0.44 -0.73 0.00 0.00 179.01 179.44 1i4d n ILE 149 N -4.70 0.50 -3.36 2.32 -5.35 -0.70 -4.97 119.36 103.10 1i4d n ILE 149 Ca 0.20 -0.64 -0.18 0.00 -0.27 0.00 0.00 62.75 61.86 1i4d n ILE 149 Cb 0.42 0.63 0.07 0.00 -1.74 0.00 0.00 39.64 39.01 1i4d n ILE 149 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1i4d n GLY 150 N 1.37 -0.97 3.82 3.28 0.00 -0.15 -4.98 105.19 107.55 1i4d n GLY 150 Ca 0.18 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.30 1i4d n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4d s ALA 151 N -3.41 3.72 0.50 4.61 0.00 0.85 -4.80 121.76 123.23 1i4d s ALA 151 Ca 0.37 -0.41 0.26 0.00 0.00 0.00 0.00 51.96 52.18 1i4d s ALA 151 Cb -0.06 -2.27 1.56 0.00 0.00 0.00 0.00 23.12 22.35 1i4d s ALA 151 CO 0.76 0.42 2.15 -0.39 0.00 0.00 0.00 175.76 178.69 1i4d h VAL 152 N 4.05 0.63 -3.37 0.00 -1.51 -1.67 -3.45 116.25 110.94 1i4d h VAL 152 Ca -0.50 -0.29 -0.07 0.00 -1.23 0.00 0.00 66.70 64.61 1i4d h VAL 152 Cb 1.21 1.18 -0.15 0.00 -2.13 0.00 0.00 31.29 31.40 1i4d h VAL 152 CO 0.64 0.07 -0.17 -0.54 -1.23 0.00 0.00 177.57 176.34 1i4d s LYS 153 N -4.47 0.94 -0.13 5.19 -0.14 -1.26 -5.09 119.74 114.78 1i4d s LYS 153 Ca -0.04 -0.63 -0.01 0.00 -1.36 0.00 0.00 55.97 53.93 1i4d s LYS 153 Cb 0.14 0.41 0.04 0.00 -1.68 0.00 0.00 37.83 36.74 1i4d s LYS 153 CO 0.58 -0.33 -0.03 -0.47 -0.76 0.00 0.00 175.35 174.34 1i4d s TYR 154 N -3.25 1.24 0.16 3.18 5.04 -1.26 -1.98 117.35 120.48 1i4d s TYR 154 Ca -0.00 -0.71 0.08 0.00 -2.44 0.00 0.00 57.07 54.00 1i4d s TYR 154 Cb 0.01 -1.10 -0.04 0.00 0.35 0.00 0.00 41.96 41.18 1i4d s TYR 154 CO -0.08 -0.51 -0.18 -0.51 -1.34 0.00 0.00 175.55 172.94 1i4d s LEU 155 N 1.79 2.44 0.02 6.97 1.43 0.10 -5.00 118.68 126.42 1i4d s LEU 155 Ca 0.03 -0.86 0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1i4d s LEU 155 Cb -0.14 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.28 1i4d s LEU 155 CO -0.07 -0.06 -0.16 -1.61 0.23 0.00 0.00 176.35 174.69 1i4d s GLU 156 N -2.80 1.16 0.32 1.70 2.02 -1.26 -0.37 118.70 119.46 1i4d s GLU 156 Ca 0.15 -0.69 -0.19 0.00 0.02 0.00 0.00 54.97 54.26 1i4d s GLU 156 Cb -0.05 -1.16 0.04 0.00 0.10 0.00 0.00 34.13 33.06 1i4d s GLU 156 CO 0.06 0.30 0.77 0.00 0.02 0.00 0.00 175.26 176.42 1i4d s SER 158 N -3.00 2.74 0.01 0.00 0.15 -0.01 -1.16 113.70 112.43 1i4d s SER 158 Ca 0.13 -0.71 0.11 0.00 0.70 0.00 0.00 55.95 56.19 1i4d s SER 158 Cb -0.05 -0.64 0.48 0.00 -1.71 0.00 0.00 66.02 64.10 1i4d s SER 158 CO 0.09 -0.27 1.36 0.00 1.20 0.00 0.00 173.24 175.61 1i4d n ALA 159 N 5.03 1.49 -0.09 5.45 0.00 -1.26 0.36 120.51 131.48 1i4d n ALA 159 Ca -0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.12 1i4d n ALA 159 Cb 0.47 -1.18 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 1i4d n ALA 159 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1i4d h LEU 160 N 0.00 0.00 -2.86 0.00 6.46 -1.94 -3.37 115.31 113.60 1i4d h LEU 160 Ca 0.00 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.15 1i4d h LEU 160 Cb 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1i4d h LEU 160 CO 0.00 1.35 0.00 0.35 -0.62 0.00 0.00 178.44 179.52 1i4d n THR 161 N -4.48 1.21 -1.08 1.05 -2.24 -1.17 -4.83 114.28 102.74 1i4d n THR 161 Ca -0.26 -1.06 -0.07 0.00 -2.27 0.00 0.00 64.05 60.40 1i4d n THR 161 Cb 0.62 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1i4d n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i4d n GLN 162 N 1.42 -1.35 -2.05 -0.78 6.02 0.16 -4.86 117.38 115.93 1i4d n GLN 162 Ca 0.24 0.44 -0.42 0.00 -0.01 0.00 0.00 57.00 57.25 1i4d n GLN 162 Cb 0.67 -4.42 -0.03 0.00 1.02 0.00 0.00 30.24 27.48 1i4d n GLN 162 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1i4d s ARG 163 N -2.33 4.27 0.00 -1.09 6.06 -1.11 -2.12 118.95 122.63 1i4d s ARG 163 Ca 0.00 2.22 0.00 0.00 -2.50 0.00 0.00 55.73 55.45 1i4d s ARG 163 Cb 0.00 -3.23 0.00 0.00 0.06 0.00 0.00 34.95 31.78 1i4d s ARG 163 CO 0.00 -0.53 0.00 0.41 -2.50 0.00 0.00 175.30 172.68 1i4d n GLY 164 N 3.64 1.87 0.00 8.12 0.00 -1.26 -0.83 105.19 116.73 1i4d n GLY 164 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1i4d n GLY 164 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i4d n LEU 165 N 0.00 0.00 -0.30 0.99 7.94 -0.90 -2.13 117.00 122.60 1i4d n LEU 165 Ca 0.00 0.66 0.18 0.00 -1.11 0.00 0.00 56.01 55.73 1i4d n LEU 165 Cb 0.00 -0.16 0.34 0.00 0.53 0.00 0.00 43.42 44.13 1i4d n LEU 165 CO 0.00 -0.16 0.78 1.17 -1.11 0.00 0.00 177.39 178.07 1i4d n LYS 166 N -1.51 -0.07 -0.37 1.96 4.81 -1.26 0.13 118.16 121.84 1i4d n LYS 166 Ca 0.00 1.30 -0.00 0.00 -0.87 0.00 0.00 58.31 58.74 1i4d n LYS 166 Cb 0.00 -2.15 0.14 0.00 0.02 0.00 0.00 35.03 33.04 1i4d n LYS 166 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1i4d h THR 167 N 0.00 1.19 -1.00 3.15 2.02 -1.81 -1.89 112.91 114.58 1i4d h THR 167 Ca 0.60 -0.44 0.21 0.00 0.77 0.00 0.00 66.41 67.55 1i4d h THR 167 Cb 1.37 -0.21 -0.11 0.00 -1.74 0.00 0.00 68.15 67.47 1i4d h THR 167 CO -0.79 0.23 0.62 0.58 0.37 0.00 0.00 175.52 176.53 1i4d h VAL 168 N 1.29 0.64 0.00 3.16 2.07 -0.02 -0.29 116.25 123.10 1i4d h VAL 168 Ca 0.39 -0.22 -0.23 0.00 0.82 0.00 0.00 66.70 67.46 1i4d h VAL 168 Cb -0.03 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.64 1i4d h VAL 168 CO -0.12 0.12 -1.40 -0.26 0.02 0.00 0.00 177.57 175.93 1i4d h PHE 169 N 0.64 0.00 -0.32 1.57 0.04 -1.43 -2.52 116.94 114.92 1i4d h PHE 169 Ca 0.59 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 61.27 1i4d h PHE 169 Cb 1.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 1i4d h PHE 169 CO -0.00 0.84 -0.15 -0.44 -0.60 0.00 0.00 178.31 177.96 1i4d h ASP 170 N 0.00 0.68 0.16 2.17 3.32 -0.60 -1.82 116.42 120.34 1i4d h ASP 170 Ca -0.18 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.36 1i4d h ASP 170 Cb 1.80 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.15 1i4d h ASP 170 CO 0.08 0.93 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.83 1i4d h GLU 171 N 0.43 0.29 -0.08 3.56 4.39 -1.19 -1.37 114.58 120.60 1i4d h GLU 171 Ca 0.07 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1i4d h GLU 171 Cb 0.67 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1i4d h GLU 171 CO 0.05 0.63 0.05 0.00 -1.16 0.00 0.00 179.01 178.58 1i4d h ALA 172 N 1.36 0.10 -0.78 3.43 0.00 -1.22 -1.44 119.26 120.71 1i4d h ALA 172 Ca 0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1i4d h ALA 172 Cb 0.78 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1i4d h ALA 172 CO 0.06 -0.41 0.42 0.82 0.00 0.00 0.00 179.25 180.14 1i4d h ILE 173 N 0.10 1.23 0.00 0.00 2.04 -1.10 -2.46 117.51 117.32 1i4d h ILE 173 Ca 0.03 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1i4d h ILE 173 Cb -0.00 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1i4d h ILE 173 CO -0.02 0.26 -0.14 0.03 0.00 0.00 0.00 178.15 178.29 1i4d h ARG 174 N 1.08 0.00 0.00 2.37 3.08 -0.86 0.13 114.38 120.17 1i4d h ARG 174 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1i4d h ARG 174 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1i4d h ARG 174 CO -0.04 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.99 1i4d h ALA 175 N 1.86 1.00 0.01 0.04 0.00 -0.78 0.44 119.26 121.84 1i4d h ALA 175 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1i4d h ALA 175 Cb 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1i4d h ALA 175 CO 0.02 0.00 -2.36 0.28 0.00 0.00 0.00 179.25 177.18 1i4d n VAL 176 N -2.74 1.54 0.04 0.00 0.31 -0.58 -4.35 118.33 112.55 1i4d n VAL 176 Ca 0.03 -0.46 -0.05 0.00 -0.01 0.00 0.00 64.34 63.85 1i4d n VAL 176 Cb 0.37 -1.69 0.16 0.00 -0.91 0.00 0.00 33.84 31.76 1i4d n VAL 176 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1i4d h LEU 177 N -0.49 0.44 0.00 7.52 3.38 -0.81 -3.52 115.31 121.83 1i4d h LEU 177 Ca -0.60 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1i4d h LEU 177 Cb 1.75 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1i4d h LEU 177 CO -0.22 0.80 0.00 0.00 0.09 0.00 0.00 178.44 179.11