#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gcg s THR 3 N 0.00 4.81 -0.11 5.09 2.01 -1.26 -4.36 115.64 121.82 3gcg s THR 3 Ca 0.00 1.73 -0.30 0.00 0.31 0.00 0.00 61.69 63.43 3gcg s THR 3 Cb 0.00 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 3gcg s THR 3 CO 0.00 -0.05 1.13 -0.63 -0.69 0.00 0.00 174.62 174.38 3gcg s ILE 4 N 2.60 4.47 -0.41 1.82 1.01 -0.26 -4.83 121.20 125.60 3gcg s ILE 4 Ca 0.39 1.77 -0.21 0.00 0.00 0.00 0.00 60.65 62.60 3gcg s ILE 4 Cb -0.16 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.19 3gcg s ILE 4 CO 0.10 -0.05 0.69 -0.75 0.00 0.00 0.00 174.94 174.93 3gcg s LYS 5 N 2.52 3.48 -0.24 2.79 2.20 -1.26 0.72 119.74 129.96 3gcg s LYS 5 Ca 0.52 -0.11 -0.03 0.00 -0.36 0.00 0.00 55.97 55.99 3gcg s LYS 5 Cb -0.21 -3.89 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 3gcg s LYS 5 CO 0.17 -0.94 -0.04 0.00 -0.36 0.00 0.00 175.35 174.19 3gcg s VAL 7 N 1.43 3.98 -0.37 0.00 1.01 -0.87 -1.42 120.40 124.16 3gcg s VAL 7 Ca 0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 3gcg s VAL 7 Cb -0.15 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3gcg s VAL 7 CO -0.03 0.52 0.34 -0.69 0.00 0.00 0.00 175.10 175.23 3gcg s VAL 8 N 0.08 5.19 0.33 2.92 1.01 -0.70 -1.32 120.40 127.91 3gcg s VAL 8 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3gcg s VAL 8 Cb -0.13 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3gcg s VAL 8 CO 0.03 -0.19 0.06 0.68 0.00 0.00 0.00 175.10 175.67 3gcg s VAL 9 N 1.91 2.91 0.00 2.92 -7.23 -0.56 -3.55 120.40 116.81 3gcg s VAL 9 Ca 0.09 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 3gcg s VAL 9 Cb -0.17 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.90 3gcg s VAL 9 CO 0.12 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 3gcg n GLY 10 N -1.01 2.16 3.67 2.32 0.00 -1.26 -1.12 105.19 109.95 3gcg n GLY 10 Ca -0.04 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 3gcg n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gcg s ASP 11 N 0.00 3.03 1.08 1.61 1.01 -1.26 -4.83 116.67 117.31 3gcg s ASP 11 Ca 0.00 1.68 -0.17 0.00 0.71 0.00 0.00 52.55 54.77 3gcg s ASP 11 Cb 0.00 -2.32 0.24 0.00 1.01 0.00 0.00 42.92 41.85 3gcg s ASP 11 CO 0.00 -2.95 1.21 -0.83 0.21 0.00 0.00 175.17 172.81 3gcg s GLY 12 N -3.10 1.68 -0.75 0.21 0.00 -1.26 -3.33 107.32 100.77 3gcg s GLY 12 Ca 0.65 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3gcg s GLY 12 CO 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 173.10 173.45 3gcg n ALA 13 N -4.25 -0.11 0.25 3.20 0.00 -1.26 -4.66 120.51 113.68 3gcg n ALA 13 Ca 0.14 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.80 3gcg n ALA 13 Cb 0.59 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.52 3gcg n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gcg n VAL 14 N -1.83 0.14 -1.55 0.00 0.31 -1.21 -4.89 118.33 109.29 3gcg n VAL 14 Ca -0.07 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.86 3gcg n VAL 14 Cb 0.47 0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 3gcg n VAL 14 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gcg n GLY 15 N 1.30 0.71 0.16 2.92 0.00 -1.26 -4.70 105.19 104.31 3gcg n GLY 15 Ca -0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 3gcg n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gcg h LYS 16 N 0.00 0.11 -0.03 1.61 1.57 -1.94 -0.36 116.57 117.53 3gcg h LYS 16 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gcg h LYS 16 Cb 0.77 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 3gcg h LYS 16 CO 0.00 0.07 0.01 1.15 -0.57 0.00 0.00 179.45 180.11 3gcg h THR 17 N 0.11 1.08 -0.42 -0.16 2.02 -1.96 -1.89 112.91 111.69 3gcg h THR 17 Ca 0.18 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.19 3gcg h THR 17 Cb 0.24 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3gcg h THR 17 CO -0.29 0.06 0.28 0.00 0.37 0.00 0.00 175.52 175.94 3gcg h LEU 19 N 0.32 0.45 -0.33 0.00 5.85 -0.35 0.96 115.31 122.20 3gcg h LEU 19 Ca 0.18 -0.24 -0.19 0.00 0.84 0.00 0.00 57.88 58.48 3gcg h LEU 19 Cb 0.32 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3gcg h LEU 19 CO -0.04 0.57 -0.59 -0.07 -0.34 0.00 0.00 178.44 177.96 3gcg h LEU 20 N 0.31 0.88 -0.29 2.25 4.07 -0.48 -2.34 115.31 119.71 3gcg h LEU 20 Ca 0.09 -0.49 -0.06 0.00 0.08 0.00 0.00 57.88 57.50 3gcg h LEU 20 Cb 0.30 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3gcg h LEU 20 CO 0.00 1.27 -0.05 -0.29 -1.08 0.00 0.00 178.44 178.29 3gcg h ILE 21 N 0.58 1.28 -0.95 1.22 6.09 -0.85 0.01 117.51 124.89 3gcg h ILE 21 Ca 0.00 -1.05 0.06 0.00 -1.37 0.00 0.00 64.86 62.50 3gcg h ILE 21 Cb 1.19 1.38 -0.06 0.00 0.47 0.00 0.00 36.82 39.80 3gcg h ILE 21 CO 0.12 0.34 0.61 -1.28 -3.07 0.00 0.00 178.15 174.87 3gcg h SER 22 N 0.31 0.97 -0.34 2.19 0.87 -0.83 -1.53 113.55 115.19 3gcg h SER 22 Ca 0.07 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.48 3gcg h SER 22 Cb 0.52 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3gcg h SER 22 CO 0.02 0.62 -0.45 0.22 -0.53 0.00 0.00 176.83 176.71 3gcg h TYR 23 N 1.10 1.10 0.00 2.24 3.20 -1.10 -3.20 116.97 120.31 3gcg h TYR 23 Ca 0.41 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3gcg h TYR 23 Cb 0.16 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3gcg h TYR 23 CO -0.01 1.19 0.00 0.25 -1.64 0.00 0.00 178.16 177.94 3gcg n THR 24 N -4.05 0.05 -0.69 1.81 -2.24 -0.04 -3.59 114.28 105.52 3gcg n THR 24 Ca -0.03 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 3gcg n THR 24 Cb 0.58 -0.53 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 3gcg n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3gcg n THR 25 N -1.27 2.41 -2.72 4.28 -2.24 -0.62 -5.07 114.28 109.05 3gcg n THR 25 Ca 0.14 -1.11 -0.05 0.00 -2.27 0.00 0.00 64.05 60.76 3gcg n THR 25 Cb 0.22 -1.40 0.07 0.00 -2.10 0.00 0.00 70.33 67.13 3gcg n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gcg n ASN 26 N 0.86 0.20 0.00 3.42 4.05 -1.24 -5.08 115.26 117.47 3gcg n ASN 26 Ca 0.16 -2.37 0.00 0.00 0.45 0.00 0.00 54.58 52.83 3gcg n ASN 26 Cb 0.55 0.05 0.00 0.00 1.23 0.00 0.00 39.78 41.61 3gcg n ASN 26 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 3gcg n GLU 31 N -0.62 0.00 -2.75 1.20 2.13 -1.26 -5.19 120.64 114.15 3gcg n GLU 31 Ca 0.01 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 3gcg n GLU 31 Cb 0.83 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.51 3gcg n GLU 31 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3gcg s TYR 32 N -1.71 3.58 -0.48 4.31 5.04 -1.26 -4.99 117.35 121.83 3gcg s TYR 32 Ca 0.00 1.58 -0.23 0.00 -2.44 0.00 0.00 57.07 55.98 3gcg s TYR 32 Cb 0.00 -3.11 0.03 0.00 0.35 0.00 0.00 41.96 39.24 3gcg s TYR 32 CO 0.00 -0.10 0.82 0.54 -1.34 0.00 0.00 175.55 175.48 3gcg s VAL 33 N 1.45 4.59 0.83 3.14 0.11 -1.26 -5.04 120.40 124.22 3gcg s VAL 33 Ca 0.48 0.33 -0.12 0.00 -2.93 0.00 0.00 61.98 59.74 3gcg s VAL 33 Cb -0.19 -4.39 0.09 0.00 -1.53 0.00 0.00 36.38 30.37 3gcg s VAL 33 CO 0.22 -0.84 1.18 -2.16 -3.33 0.00 0.00 175.10 170.17 3gcg s PRO 34 N 3.44 1.76 -0.00 1.54 0.04 -1.26 -5.00 135.00 135.53 3gcg s PRO 34 Ca 0.29 0.13 -0.07 0.00 0.04 0.00 0.00 61.00 61.39 3gcg s PRO 34 Cb -0.13 -1.93 -0.30 0.00 0.04 0.00 0.00 34.50 32.19 3gcg s PRO 34 CO 0.21 -1.74 0.85 1.15 0.04 0.00 0.00 177.00 177.51 3gcg h THR 35 N -1.16 1.14 -3.55 1.26 2.02 -2.02 -3.44 112.91 107.16 3gcg h THR 35 Ca -0.47 -2.73 -0.70 0.00 0.77 0.00 0.00 66.41 63.28 3gcg h THR 35 Cb 1.33 2.82 -0.20 0.00 -1.74 0.00 0.00 68.15 70.36 3gcg h THR 35 CO 0.64 0.83 -0.35 -0.69 0.37 0.00 0.00 175.52 176.33 3gcg s VAL 36 N -2.61 5.20 -0.32 3.16 1.01 -1.26 -5.05 120.40 120.53 3gcg s VAL 36 Ca -0.10 -0.44 -0.19 0.00 0.00 0.00 0.00 61.98 61.25 3gcg s VAL 36 Cb 0.06 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3gcg s VAL 36 CO 0.87 -0.29 0.56 0.12 0.00 0.00 0.00 175.10 176.36 3gcg s PHE 37 N 1.87 3.20 0.37 5.22 2.19 -1.26 -5.06 117.98 124.51 3gcg s PHE 37 Ca 0.08 0.42 -0.16 0.00 0.33 0.00 0.00 56.93 57.60 3gcg s PHE 37 Cb -0.18 -2.92 -0.09 0.00 -1.31 0.00 0.00 43.02 38.52 3gcg s PHE 37 CO 0.11 -0.47 0.80 -0.51 1.83 0.00 0.00 175.22 176.98 3gcg s ASP 38 N 1.69 6.76 0.06 6.13 1.01 -1.26 -4.73 116.67 126.33 3gcg s ASP 38 Ca 0.22 1.36 -0.37 0.00 0.71 0.00 0.00 52.55 54.46 3gcg s ASP 38 Cb -0.15 -2.41 -0.18 0.00 1.01 0.00 0.00 42.92 41.19 3gcg s ASP 38 CO 0.12 -0.29 1.15 0.59 0.21 0.00 0.00 175.17 176.95 3gcg n ASN 39 N -0.63 0.68 -3.97 0.27 3.02 -1.26 -4.94 115.26 108.43 3gcg n ASN 39 Ca 0.04 1.14 -0.17 0.00 -0.03 0.00 0.00 54.58 55.56 3gcg n ASN 39 Cb 0.53 -1.05 -0.15 0.00 -0.61 0.00 0.00 39.78 38.50 3gcg n ASN 39 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gcg s TYR 40 N 0.10 0.62 0.05 3.10 6.14 -0.96 -4.99 117.35 121.41 3gcg s TYR 40 Ca 0.85 -0.13 0.09 0.00 0.64 0.00 0.00 57.07 58.53 3gcg s TYR 40 Cb -1.09 -0.43 -0.03 0.00 0.42 0.00 0.00 41.96 40.83 3gcg s TYR 40 CO 0.53 -0.04 -0.26 0.00 0.64 0.00 0.00 175.55 176.41 3gcg s ALA 41 N 0.04 2.27 0.01 3.97 0.00 -1.26 -0.13 121.76 126.66 3gcg s ALA 41 Ca -0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 3gcg s ALA 41 Cb -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3gcg s ALA 41 CO -0.00 0.53 0.04 0.54 0.00 0.00 0.00 175.76 176.88 3gcg s VAL 42 N -0.83 0.08 -0.23 0.00 0.11 -0.47 -4.95 120.40 114.12 3gcg s VAL 42 Ca 0.12 -0.66 -0.18 0.00 -2.93 0.00 0.00 61.98 58.33 3gcg s VAL 42 Cb -0.10 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 3gcg s VAL 42 CO 0.02 -0.36 0.50 -0.89 -3.33 0.00 0.00 175.10 171.04 3gcg s THR 43 N -1.14 5.10 -0.06 5.04 2.01 -1.26 -0.05 115.64 125.27 3gcg s THR 43 Ca -0.12 0.89 0.05 0.00 0.31 0.00 0.00 61.69 62.82 3gcg s THR 43 Cb -0.07 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 3gcg s THR 43 CO 0.00 0.15 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.16 3gcg s VAL 44 N 1.89 2.31 -0.09 3.82 1.01 0.21 -4.91 120.40 124.64 3gcg s VAL 44 Ca 0.22 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3gcg s VAL 44 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3gcg s VAL 44 CO 0.09 0.57 0.65 -0.04 0.00 0.00 0.00 175.10 176.38 3gcg s MET 45 N -0.20 4.40 -0.18 2.72 -1.94 -1.26 -0.25 119.30 122.58 3gcg s MET 45 Ca -0.02 0.78 -0.04 0.00 -1.71 0.00 0.00 55.69 54.70 3gcg s MET 45 Cb -0.13 -3.46 0.09 0.00 2.01 0.00 0.00 34.83 33.33 3gcg s MET 45 CO 0.03 0.05 0.26 0.42 -0.01 0.00 0.00 175.02 175.77 3gcg s ILE 46 N 0.89 -0.40 -1.21 2.53 1.01 -0.66 -4.85 121.20 118.51 3gcg s ILE 46 Ca 0.35 0.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.02 3gcg s ILE 46 Cb -0.17 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.70 3gcg s ILE 46 CO 0.16 -0.06 0.41 0.61 0.00 0.00 0.00 174.94 176.06 3gcg n GLY 47 N 5.34 -0.24 3.09 6.18 0.00 -1.26 -2.27 105.19 116.03 3gcg n GLY 47 Ca -0.05 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3gcg n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gcg n GLY 48 N -1.31 2.13 3.71 -0.02 0.00 -1.26 -5.01 105.19 103.43 3gcg n GLY 48 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3gcg n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gcg s GLU 49 N -0.02 3.72 -0.38 1.61 2.56 -0.96 -5.08 118.70 120.16 3gcg s GLU 49 Ca 0.00 -0.29 -0.26 0.00 0.00 0.00 0.00 54.97 54.42 3gcg s GLU 49 Cb 0.00 -3.16 0.02 0.00 2.00 0.00 0.00 34.13 32.98 3gcg s GLU 49 CO 0.00 0.46 0.93 -1.25 -0.56 0.00 0.00 175.26 174.84 3gcg s PRO 50 N -0.14 3.82 0.03 4.30 0.04 -1.26 -1.65 135.00 140.13 3gcg s PRO 50 Ca 0.08 0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.70 3gcg s PRO 50 Cb -0.12 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 3gcg s PRO 50 CO 0.01 -0.97 0.02 0.71 0.04 0.00 0.00 177.00 176.81 3gcg s TYR 51 N 3.51 3.10 -0.30 0.56 1.51 0.65 -4.91 117.35 121.48 3gcg s TYR 51 Ca 0.38 0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 56.41 3gcg s TYR 51 Cb -0.12 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.06 3gcg s TYR 51 CO 0.19 0.49 0.19 0.99 -1.11 0.00 0.00 175.55 176.30 3gcg s THR 52 N -1.20 5.11 -0.29 -0.71 2.01 -1.26 0.64 115.64 119.94 3gcg s THR 52 Ca 0.23 -0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.10 3gcg s THR 52 Cb -0.12 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 3gcg s THR 52 CO 0.14 0.17 0.15 -0.22 -0.69 0.00 0.00 174.62 174.18 3gcg s LEU 53 N 1.72 3.93 -0.17 4.42 2.96 0.92 -1.11 118.68 131.35 3gcg s LEU 53 Ca 0.06 -0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.55 3gcg s LEU 53 Cb -0.16 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3gcg s LEU 53 CO 0.09 -0.11 0.44 -0.83 -1.32 0.00 0.00 176.35 174.63 3gcg s GLY 54 N 1.67 2.18 -0.14 7.98 0.00 0.22 -1.37 107.32 117.88 3gcg s GLY 54 Ca 0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 44.72 44.38 3gcg s GLY 54 CO 0.07 0.84 -0.09 1.08 0.00 0.00 0.00 173.10 175.01 3gcg s LEU 55 N 1.13 2.96 -0.07 0.66 1.43 0.82 -0.55 118.68 125.05 3gcg s LEU 55 Ca 0.22 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3gcg s LEU 55 Cb -0.15 -1.68 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3gcg s LEU 55 CO 0.09 0.18 -0.09 -0.36 0.23 0.00 0.00 176.35 176.40 3gcg s PHE 56 N 0.27 1.27 0.23 0.29 0.08 -0.51 -2.27 117.98 117.34 3gcg s PHE 56 Ca -0.07 -0.50 -0.04 0.00 0.12 0.00 0.00 56.93 56.44 3gcg s PHE 56 Cb -0.15 -1.01 -0.05 0.00 -0.57 0.00 0.00 43.02 41.24 3gcg s PHE 56 CO 0.04 -0.32 0.48 0.34 -0.10 0.00 0.00 175.22 175.66 3gcg s ASP 57 N 1.06 6.46 0.00 1.36 2.15 -1.26 -1.72 116.67 124.71 3gcg s ASP 57 Ca -0.08 0.64 0.00 0.00 0.43 0.00 0.00 52.55 53.54 3gcg s ASP 57 Cb -0.14 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 3gcg s ASP 57 CO -0.01 -0.09 0.75 0.35 -0.17 0.00 0.00 175.17 176.00 3gcg n THR 58 N -0.56 0.56 -1.54 1.71 -2.24 -1.23 -4.92 114.28 106.06 3gcg n THR 58 Ca -0.02 -0.66 -0.49 0.00 -2.27 0.00 0.00 64.05 60.61 3gcg n THR 58 Cb 0.53 0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 3gcg n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gcg n ALA 59 N -0.28 -1.30 0.00 6.98 0.00 -1.26 -2.20 120.51 122.45 3gcg n ALA 59 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3gcg n ALA 59 Cb 0.25 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3gcg n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gcg n GLY 60 N 1.81 3.23 0.57 0.00 0.00 -1.26 -4.88 105.19 104.66 3gcg n GLY 60 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3gcg n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gcg n GLN 61 N -1.57 1.75 -0.29 1.61 6.02 -0.93 -4.52 117.38 119.44 3gcg n GLN 61 Ca 0.00 -1.13 0.10 0.00 -0.01 0.00 0.00 57.00 55.96 3gcg n GLN 61 Cb 0.00 -1.39 0.21 0.00 1.02 0.00 0.00 30.24 30.07 3gcg n GLN 61 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3gcg n GLU 62 N 0.36 -0.07 -2.56 -1.09 -0.58 -1.26 -1.38 120.64 114.06 3gcg n GLU 62 Ca 0.16 1.25 -0.18 0.00 -0.42 0.00 0.00 57.16 57.97 3gcg n GLU 62 Cb 0.34 -1.96 0.01 0.00 -0.57 0.00 0.00 31.44 29.26 3gcg n GLU 62 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3gcg n ASP 63 N -5.23 3.19 -3.46 1.62 3.85 -1.26 -4.78 116.55 110.49 3gcg n ASP 63 Ca 0.18 -3.24 -0.26 0.00 -0.71 0.00 0.00 54.79 50.76 3gcg n ASP 63 Cb 0.58 -0.49 -0.09 0.00 -1.35 0.00 0.00 41.12 39.77 3gcg n ASP 63 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 3gcg n TYR 64 N -0.30 1.73 0.22 2.11 4.02 -0.48 -4.99 117.16 119.48 3gcg n TYR 64 Ca 0.25 -3.89 0.13 0.00 -0.01 0.00 0.00 57.90 54.38 3gcg n TYR 64 Cb 0.74 -0.38 0.70 0.00 -0.02 0.00 0.00 39.34 40.38 3gcg n TYR 64 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 3gcg h ASP 65 N 4.63 0.00 1.31 7.72 2.03 -1.86 -1.66 116.42 128.59 3gcg h ASP 65 Ca 0.17 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.47 3gcg h ASP 65 Cb 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 3gcg h ASP 65 CO 0.63 0.00 -0.62 0.03 -1.03 0.00 0.00 179.24 178.25 3gcg h ARG 66 N 0.00 0.00 0.10 4.15 2.47 -1.94 -3.38 114.38 115.78 3gcg h ARG 66 Ca 0.00 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.45 3gcg h ARG 66 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3gcg h ARG 66 CO 0.00 0.00 -1.40 -0.07 0.56 0.00 0.00 179.97 179.06 3gcg h LEU 67 N 0.00 0.32 -0.76 3.04 4.07 -1.67 -3.41 115.31 116.90 3gcg h LEU 67 Ca 0.00 -0.82 0.17 0.00 0.08 0.00 0.00 57.88 57.31 3gcg h LEU 67 Cb 0.97 -0.11 -0.13 0.00 1.08 0.00 0.00 40.66 42.47 3gcg h LEU 67 CO 0.00 1.60 0.03 0.03 -1.08 0.00 0.00 178.44 179.02 3gcg h ARG 68 N -0.38 0.12 -0.84 1.13 3.08 -1.73 -2.58 114.38 113.18 3gcg h ARG 68 Ca -0.31 -0.01 0.24 0.00 0.07 0.00 0.00 59.98 59.97 3gcg h ARG 68 Cb 1.70 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.69 3gcg h ARG 68 CO 0.03 0.08 0.60 -1.35 -1.07 0.00 0.00 179.97 178.25 3gcg h PRO 69 N 0.12 0.01 0.00 0.04 0.11 -1.80 -0.60 132.00 129.88 3gcg h PRO 69 Ca 0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 3gcg h PRO 69 Cb 0.75 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3gcg h PRO 69 CO -0.65 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 178.43 3gcg n LEU 70 N -4.29 0.11 0.09 2.35 4.77 -0.97 -2.49 117.00 116.57 3gcg n LEU 70 Ca 0.17 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.79 3gcg n LEU 70 Cb 0.90 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3gcg n LEU 70 CO 0.38 -0.28 0.16 0.28 -1.33 0.00 0.00 177.39 176.60 3gcg h SER 71 N 0.00 0.00 0.59 -1.43 0.02 -1.28 -3.41 113.55 108.05 3gcg h SER 71 Ca 0.00 -0.10 -0.26 0.00 -0.84 0.00 0.00 61.79 60.59 3gcg h SER 71 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3gcg h SER 71 CO 0.00 0.05 -1.18 1.88 -1.14 0.00 0.00 176.83 176.44 3gcg h TYR 72 N 0.00 0.50 -2.32 3.45 0.99 -1.60 -3.45 116.97 114.53 3gcg h TYR 72 Ca 0.00 -0.34 -0.61 0.00 2.00 0.00 0.00 58.73 59.77 3gcg h TYR 72 Cb 0.89 -0.03 0.08 0.00 1.00 0.00 0.00 36.73 38.68 3gcg h TYR 72 CO 0.00 1.25 0.47 -2.30 -0.00 0.00 0.00 178.16 177.58 3gcg n PRO 73 N -3.57 1.65 -1.20 4.88 -0.02 -1.26 -2.06 135.00 133.42 3gcg n PRO 73 Ca -0.08 0.59 -0.07 0.00 -2.02 0.00 0.00 63.50 61.92 3gcg n PRO 73 Cb 0.99 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 3gcg n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3gcg n GLN 74 N 1.99 -0.81 -2.57 -0.52 6.02 -1.26 -5.00 117.38 115.23 3gcg n GLN 74 Ca 0.13 0.65 -0.41 0.00 -0.01 0.00 0.00 57.00 57.36 3gcg n GLN 74 Cb 0.28 -4.52 -0.04 0.00 1.02 0.00 0.00 30.24 26.98 3gcg n GLN 74 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gcg s THR 75 N -2.09 4.15 -0.11 5.09 2.01 -0.88 -4.67 115.64 119.14 3gcg s THR 75 Ca 0.00 1.74 0.14 0.00 0.31 0.00 0.00 61.69 63.88 3gcg s THR 75 Cb 0.00 -4.11 -0.24 0.00 0.01 0.00 0.00 72.50 68.16 3gcg s THR 75 CO 0.00 0.24 0.42 0.47 -0.69 0.00 0.00 174.62 175.06 3gcg n ASP 76 N 2.91 0.55 -3.65 3.53 8.00 -0.44 -4.86 116.55 122.60 3gcg n ASP 76 Ca 0.04 0.24 -0.10 0.00 0.71 0.00 0.00 54.79 55.68 3gcg n ASP 76 Cb 0.47 0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.84 3gcg n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3gcg s VAL 77 N -2.55 -0.00 0.03 2.53 0.11 -0.96 -4.07 120.40 115.48 3gcg s VAL 77 Ca -0.07 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 3gcg s VAL 77 Cb 0.07 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3gcg s VAL 77 CO 0.82 0.00 0.03 -0.36 -3.33 0.00 0.00 175.10 172.27 3gcg s PHE 78 N 1.06 3.13 -0.41 1.54 0.40 -0.71 -2.04 117.98 120.94 3gcg s PHE 78 Ca -0.06 0.09 -0.03 0.00 -0.60 0.00 0.00 56.93 56.33 3gcg s PHE 78 Cb -0.05 -1.66 0.11 0.00 0.51 0.00 0.00 43.02 41.93 3gcg s PHE 78 CO -0.10 0.49 0.20 -0.51 0.70 0.00 0.00 175.22 176.00 3gcg s LEU 79 N -1.86 5.21 -0.62 -0.37 1.43 -0.44 -1.04 118.68 120.99 3gcg s LEU 79 Ca 0.23 -1.97 -0.24 0.00 -1.03 0.00 0.00 54.13 51.11 3gcg s LEU 79 Cb -0.12 -1.84 0.05 0.00 0.03 0.00 0.00 46.19 44.31 3gcg s LEU 79 CO 0.14 -0.54 1.02 -0.69 0.23 0.00 0.00 176.35 176.52 3gcg s VAL 80 N 1.16 4.24 0.23 -1.59 1.01 -0.29 -1.49 120.40 123.66 3gcg s VAL 80 Ca 0.07 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.22 3gcg s VAL 80 Cb -0.23 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 3gcg s VAL 80 CO -0.04 -1.35 0.39 0.00 0.00 0.00 0.00 175.10 174.10 3gcg s PHE 82 N -1.95 -0.54 -0.11 0.00 -0.12 -0.09 -4.25 117.98 110.92 3gcg s PHE 82 Ca 0.37 1.00 -0.25 0.00 -0.05 0.00 0.00 56.93 58.01 3gcg s PHE 82 Cb -0.10 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 3gcg s PHE 82 CO 0.30 -0.50 0.77 0.45 -0.05 0.00 0.00 175.22 176.20 3gcg s SER 83 N -0.93 6.99 0.56 1.98 0.15 -1.26 -0.73 113.70 120.46 3gcg s SER 83 Ca -0.10 1.20 0.24 0.00 0.70 0.00 0.00 55.95 58.00 3gcg s SER 83 Cb -0.02 -2.44 1.55 0.00 -1.71 0.00 0.00 66.02 63.40 3gcg s SER 83 CO 0.07 -0.25 2.16 -0.37 1.20 0.00 0.00 173.24 176.04 3gcg h VAL 84 N 4.96 0.70 -0.95 4.45 -1.51 -1.58 0.51 116.25 122.82 3gcg h VAL 84 Ca -0.36 0.00 -0.56 0.00 -1.23 0.00 0.00 66.70 64.55 3gcg h VAL 84 Cb 1.17 0.94 -0.29 0.00 -2.13 0.00 0.00 31.29 30.98 3gcg h VAL 84 CO 0.79 0.00 0.72 1.33 -1.23 0.00 0.00 177.57 179.17 3gcg n VAL 85 N -4.13 3.30 -3.19 7.19 0.24 -1.26 -0.41 118.33 120.07 3gcg n VAL 85 Ca -0.01 -2.24 -0.14 0.00 -2.04 0.00 0.00 64.34 59.91 3gcg n VAL 85 Cb 0.19 -0.78 -0.05 0.00 -1.47 0.00 0.00 33.84 31.73 3gcg n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3gcg s SER 86 N -1.39 0.22 0.57 -1.34 0.15 0.17 -5.00 113.70 107.08 3gcg s SER 86 Ca 0.58 -1.93 0.28 0.00 0.70 0.00 0.00 55.95 55.58 3gcg s SER 86 Cb 0.47 0.82 1.50 0.00 -1.71 0.00 0.00 66.02 67.10 3gcg s SER 86 CO 0.06 -0.17 1.95 -0.65 1.20 0.00 0.00 173.24 175.63 3gcg h PRO 87 N 6.11 0.00 0.00 5.44 0.11 -1.83 0.19 132.00 142.02 3gcg h PRO 87 Ca 0.11 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 3gcg h PRO 87 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3gcg h PRO 87 CO 0.18 0.00 -0.27 0.66 -0.21 0.00 0.00 178.00 178.35 3gcg h SER 88 N 0.00 0.00 0.45 -2.05 4.64 -1.95 -1.80 113.55 112.85 3gcg h SER 88 Ca 0.21 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.22 3gcg h SER 88 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3gcg h SER 88 CO -0.00 0.27 -1.47 0.77 -0.87 0.00 0.00 176.83 175.53 3gcg h SER 89 N 0.00 0.48 -0.57 4.97 4.64 -1.28 -2.41 113.55 119.37 3gcg h SER 89 Ca -0.00 -0.60 -0.08 0.00 -0.47 0.00 0.00 61.79 60.64 3gcg h SER 89 Cb 1.05 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3gcg h SER 89 CO 0.04 1.49 0.06 0.15 -0.87 0.00 0.00 176.83 177.69 3gcg h PHE 90 N 0.08 1.04 0.00 4.77 3.57 -1.46 -2.75 116.94 122.19 3gcg h PHE 90 Ca -0.23 -0.16 -0.08 0.00 3.53 0.00 0.00 57.97 61.04 3gcg h PHE 90 Cb 2.03 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.48 3gcg h PHE 90 CO 0.08 0.92 -0.38 1.49 -2.23 0.00 0.00 178.31 178.18 3gcg h GLU 91 N 0.86 0.00 0.00 1.11 4.81 -1.38 -2.68 114.58 117.30 3gcg h GLU 91 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3gcg h GLU 91 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3gcg h GLU 91 CO 0.02 0.38 0.00 -0.91 -0.73 0.00 0.00 179.01 177.77 3gcg h ASN 92 N 0.00 0.00 0.29 1.04 2.35 -1.15 -2.04 115.58 116.07 3gcg h ASN 92 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3gcg h ASN 92 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 3gcg h ASN 92 CO 0.05 0.00 -0.14 0.58 -1.65 0.00 0.00 177.43 176.27 3gcg h VAL 93 N 0.00 0.75 -0.29 2.81 2.07 -1.23 1.19 116.25 121.55 3gcg h VAL 93 Ca 0.00 -0.25 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 3gcg h VAL 93 Cb 0.81 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3gcg h VAL 93 CO 0.00 0.05 -0.39 0.50 0.02 0.00 0.00 177.57 177.75 3gcg h LYS 94 N -0.52 0.67 0.12 1.57 3.11 -1.64 -0.15 116.57 119.73 3gcg h LYS 94 Ca -0.04 -0.34 -0.28 0.00 -2.81 0.00 0.00 60.65 57.18 3gcg h LYS 94 Cb 0.38 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.62 3gcg h LYS 94 CO 0.06 0.95 -1.32 0.93 -2.81 0.00 0.00 179.45 177.26 3gcg h GLU 95 N 0.55 0.25 0.00 1.90 4.39 -1.23 -3.41 114.58 117.03 3gcg h GLU 95 Ca 0.05 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.32 3gcg h GLU 95 Cb 0.91 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3gcg h GLU 95 CO 0.08 1.17 -0.71 1.17 -1.16 0.00 0.00 179.01 179.56 3gcg n LYS 96 N -3.49 0.00 0.11 2.33 4.81 0.40 -4.82 118.16 117.50 3gcg n LYS 96 Ca -0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.22 3gcg n LYS 96 Cb 1.03 -0.37 -0.08 0.00 0.02 0.00 0.00 35.03 35.63 3gcg n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 3gcg h TRP 97 N 0.00 -0.30 -0.63 5.64 -0.00 -1.25 -2.17 115.95 117.23 3gcg h TRP 97 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3gcg h TRP 97 Cb 0.71 0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.94 3gcg h TRP 97 CO 0.00 0.07 0.36 0.28 -0.00 0.00 0.00 178.44 179.15 3gcg h VAL 98 N -0.81 1.19 -0.59 1.49 2.07 -1.27 -0.08 116.25 118.26 3gcg h VAL 98 Ca -0.03 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 3gcg h VAL 98 Cb 0.51 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3gcg h VAL 98 CO 0.05 0.21 0.30 -0.65 0.02 0.00 0.00 177.57 177.50 3gcg h PRO 99 N 0.86 0.83 -0.31 1.57 0.11 -1.76 0.32 132.00 133.62 3gcg h PRO 99 Ca 0.22 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 3gcg h PRO 99 Cb 0.02 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 3gcg h PRO 99 CO -0.04 0.63 -0.09 1.49 -0.21 0.00 0.00 178.00 179.79 3gcg h GLU 100 N 0.83 0.61 -0.05 1.05 4.81 -0.64 -1.41 114.58 119.78 3gcg h GLU 100 Ca 0.21 -0.24 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 3gcg h GLU 100 Cb 0.07 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3gcg h GLU 100 CO -0.03 0.80 -0.77 -0.84 -0.73 0.00 0.00 179.01 177.44 3gcg h ILE 101 N 0.37 1.41 -0.27 2.32 3.07 -0.87 -2.39 117.51 121.16 3gcg h ILE 101 Ca 0.08 -2.27 -0.07 0.00 1.55 0.00 0.00 64.86 64.15 3gcg h ILE 101 Cb 0.58 2.22 -0.02 0.00 -0.27 0.00 0.00 36.82 39.33 3gcg h ILE 101 CO 0.03 0.67 -0.13 0.74 -1.05 0.00 0.00 178.15 178.41 3gcg h THR 102 N 0.20 1.23 0.14 0.16 2.02 -0.89 0.93 112.91 116.71 3gcg h THR 102 Ca -0.03 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3gcg h THR 102 Cb 1.35 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 3gcg h THR 102 CO 0.12 0.32 -0.07 -0.74 0.37 0.00 0.00 175.52 175.53 3gcg h HIS 103 N 0.42 -0.18 0.01 3.16 -0.00 -1.11 -2.43 115.15 115.02 3gcg h HIS 103 Ca 0.08 -0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.25 3gcg h HIS 103 Cb 0.49 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 3gcg h HIS 103 CO 0.01 0.23 -0.93 0.45 -0.00 0.00 0.00 177.93 177.70 3gcg h HIS 104 N -0.66 0.05 -2.05 5.26 3.86 -1.32 -3.40 115.15 116.90 3gcg h HIS 104 Ca -0.02 -0.03 -0.56 0.00 -1.16 0.00 0.00 60.37 58.60 3gcg h HIS 104 Cb 0.49 -0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.57 3gcg h HIS 104 CO 0.06 0.94 -1.08 0.00 0.86 0.00 0.00 177.93 178.72 3gcg h PRO 106 N 4.17 0.00 0.00 0.00 0.13 -1.53 -2.44 132.00 132.33 3gcg h PRO 106 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3gcg h PRO 106 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3gcg h PRO 106 CO 0.47 0.04 -0.97 1.63 -0.23 0.00 0.00 178.00 178.94 3gcg n LYS 107 N -3.88 0.18 -2.60 0.86 5.02 -1.26 -4.92 118.16 111.56 3gcg n LYS 107 Ca -0.03 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 3gcg n LYS 107 Cb 0.13 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3gcg n LYS 107 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gcg s THR 108 N -3.13 4.57 0.68 -0.18 2.01 -0.92 -5.04 115.64 113.63 3gcg s THR 108 Ca 0.05 1.85 -0.11 0.00 0.31 0.00 0.00 61.69 63.79 3gcg s THR 108 Cb 0.15 -4.19 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 3gcg s THR 108 CO 0.81 0.07 1.06 -2.16 -0.69 0.00 0.00 174.62 173.70 3gcg s PRO 109 N 1.60 3.05 -0.07 4.92 0.04 -1.26 -4.90 135.00 138.38 3gcg s PRO 109 Ca 0.53 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 62.33 3gcg s PRO 109 Cb -0.22 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.35 3gcg s PRO 109 CO 0.24 -1.01 0.42 -0.59 0.04 0.00 0.00 177.00 176.10 3gcg s PHE 110 N -3.03 -0.37 -0.00 0.56 -0.12 -1.26 -1.74 117.98 112.02 3gcg s PHE 110 Ca 0.58 0.73 -0.02 0.00 -0.05 0.00 0.00 56.93 58.17 3gcg s PHE 110 Cb -0.14 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 3gcg s PHE 110 CO 0.54 -0.38 0.16 -0.51 -0.05 0.00 0.00 175.22 174.97 3gcg s LEU 111 N -0.79 4.24 -0.18 -1.99 1.43 -0.21 -1.30 118.68 119.89 3gcg s LEU 111 Ca -0.09 0.28 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 3gcg s LEU 111 Cb -0.04 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3gcg s LEU 111 CO 0.04 0.26 0.55 -0.22 0.23 0.00 0.00 176.35 177.21 3gcg s LEU 112 N -1.93 4.18 -0.10 1.79 2.96 -0.61 -1.14 118.68 123.83 3gcg s LEU 112 Ca 0.27 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.99 3gcg s LEU 112 Cb -0.12 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.79 3gcg s LEU 112 CO 0.18 -0.17 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.13 3gcg s VAL 113 N 1.47 1.94 -0.18 1.68 1.01 0.97 -1.20 120.40 126.09 3gcg s VAL 113 Ca 0.27 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3gcg s VAL 113 Cb -0.16 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3gcg s VAL 113 CO 0.10 0.53 0.01 -0.83 0.00 0.00 0.00 175.10 174.92 3gcg s GLY 114 N 0.42 1.77 0.52 4.51 0.00 -0.34 -0.92 107.32 113.29 3gcg s GLY 114 Ca -0.17 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 43.73 3gcg s GLY 114 CO 0.07 0.10 0.35 -0.51 0.00 0.00 0.00 173.10 173.12 3gcg s THR 115 N 0.65 1.77 -1.60 0.90 -4.23 0.09 -1.32 115.64 111.90 3gcg s THR 115 Ca 0.00 -1.53 -0.16 0.00 -1.18 0.00 0.00 61.69 58.82 3gcg s THR 115 Cb -0.14 -2.30 0.11 0.00 1.34 0.00 0.00 72.50 71.52 3gcg s THR 115 CO 0.02 0.00 0.91 0.00 -0.54 0.00 0.00 174.62 175.01 3gcg n GLN 116 N -1.66 -4.62 0.00 3.99 6.02 -1.17 -1.62 117.38 118.32 3gcg n GLN 116 Ca -0.02 0.51 0.05 0.00 -0.01 0.00 0.00 57.00 57.53 3gcg n GLN 116 Cb 0.64 -5.34 0.25 0.00 1.02 0.00 0.00 30.24 26.81 3gcg n GLN 116 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3gcg n ILE 117 N -4.57 1.13 0.20 5.09 -5.35 -1.15 -1.84 119.36 112.85 3gcg n ILE 117 Ca 0.06 0.28 0.08 0.00 -0.27 0.00 0.00 62.75 62.90 3gcg n ILE 117 Cb 0.51 -1.09 0.30 0.00 -1.74 0.00 0.00 39.64 37.62 3gcg n ILE 117 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3gcg h ASP 118 N 0.00 0.00 0.67 7.28 2.03 -1.88 -2.99 116.42 121.52 3gcg h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3gcg h ASP 118 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 3gcg h ASP 118 CO 0.00 0.28 -0.50 0.18 -1.03 0.00 0.00 179.24 178.17 3gcg n LEU 119 N -3.30 0.52 0.24 0.15 4.32 -0.77 -3.50 117.00 114.66 3gcg n LEU 119 Ca 0.01 0.12 0.08 0.00 -0.02 0.00 0.00 56.01 56.21 3gcg n LEU 119 Cb 0.53 -0.25 0.60 0.00 -1.62 0.00 0.00 43.42 42.68 3gcg n LEU 119 CO 0.36 0.05 0.92 -0.09 -1.22 0.00 0.00 177.39 177.41 3gcg h ARG 120 N 0.00 0.00 -1.22 3.23 2.43 -1.61 -1.59 114.38 115.62 3gcg h ARG 120 Ca 0.00 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.47 3gcg h ARG 120 Cb 0.58 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.85 3gcg h ARG 120 CO 0.00 0.17 0.92 -0.25 -1.51 0.00 0.00 179.97 179.29 3gcg n ASP 121 N -3.99 7.67 -3.81 -3.80 9.92 -1.23 -4.89 116.55 116.42 3gcg n ASP 121 Ca -0.02 -3.79 -0.26 0.00 -0.53 0.00 0.00 54.79 50.18 3gcg n ASP 121 Cb 0.25 -1.00 -0.17 0.00 -0.64 0.00 0.00 41.12 39.56 3gcg n ASP 121 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3gcg s ASP 122 N -1.65 2.36 0.16 -2.24 2.15 -0.60 -5.04 116.67 111.82 3gcg s ASP 122 Ca 0.62 -0.47 -0.18 0.00 0.43 0.00 0.00 52.55 52.95 3gcg s ASP 122 Cb 0.49 -0.65 0.08 0.00 -0.30 0.00 0.00 42.92 42.54 3gcg s ASP 122 CO -0.10 -0.22 1.67 1.55 -0.17 0.00 0.00 175.17 177.90 3gcg h PRO 123 N 8.23 -0.01 -0.66 4.34 0.13 -1.90 -0.99 132.00 141.14 3gcg h PRO 123 Ca -0.21 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.06 3gcg h PRO 123 Cb 1.12 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.14 3gcg h PRO 123 CO 0.33 -0.01 -0.07 0.77 -0.23 0.00 0.00 178.00 178.79 3gcg h SER 124 N -0.02 -0.44 0.23 1.44 0.02 -1.96 0.97 113.55 113.80 3gcg h SER 124 Ca 0.18 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3gcg h SER 124 Cb 0.29 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3gcg h SER 124 CO -0.39 -0.18 -0.11 0.74 -1.14 0.00 0.00 176.83 175.76 3gcg h THR 125 N 0.06 0.84 -1.00 -2.27 2.02 -1.65 0.27 112.91 111.16 3gcg h THR 125 Ca 0.33 -0.55 0.10 0.00 0.77 0.00 0.00 66.41 67.06 3gcg h THR 125 Cb 0.54 1.15 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 3gcg h THR 125 CO -0.62 0.12 0.64 0.40 0.37 0.00 0.00 175.52 176.43 3gcg h ILE 126 N -0.60 0.99 0.56 3.11 2.04 -0.45 0.22 117.51 123.38 3gcg h ILE 126 Ca -0.03 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3gcg h ILE 126 Cb 0.44 -0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3gcg h ILE 126 CO 0.05 0.19 -0.27 -0.33 0.00 0.00 0.00 178.15 177.80 3gcg h GLU 127 N 1.06 -0.73 -1.80 2.37 5.08 0.12 1.17 114.58 121.85 3gcg h GLU 127 Ca 0.47 0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.86 3gcg h GLU 127 Cb 0.36 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3gcg h GLU 127 CO -0.22 -0.48 0.02 0.36 -1.00 0.00 0.00 179.01 177.68 3gcg n LYS 128 N -4.13 1.03 0.00 2.33 2.85 0.92 -0.48 118.16 120.69 3gcg n LYS 128 Ca -0.09 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 3gcg n LYS 128 Cb 0.30 -1.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 3gcg n LYS 128 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 3gcg n LEU 129 N 1.26 0.05 0.00 -5.58 0.00 0.02 -4.67 117.00 108.09 3gcg n LEU 129 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 56.01 56.09 3gcg n LEU 129 Cb 0.51 0.00 0.36 0.00 0.00 0.00 0.00 43.42 44.28 3gcg n LEU 129 CO 0.02 0.01 0.63 0.00 0.00 0.00 0.00 177.39 178.05 3gcg n ALA 130 N -0.95 1.87 -0.24 1.96 0.00 0.40 -1.84 120.51 121.70 3gcg n ALA 130 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gcg n ALA 130 Cb 0.02 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3gcg n ALA 130 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3gcg n LYS 131 N -1.15 0.00 -0.08 0.00 4.81 -1.10 -3.68 118.16 116.95 3gcg n LYS 131 Ca 0.08 0.38 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 3gcg n LYS 131 Cb 0.07 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.09 3gcg n LYS 131 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3gcg n ASN 132 N -1.64 1.78 -3.46 3.14 4.13 -1.24 -4.63 115.26 113.33 3gcg n ASN 132 Ca 0.00 -1.19 -0.18 0.00 1.68 0.00 0.00 54.58 54.89 3gcg n ASN 132 Cb 0.00 -0.34 0.08 0.00 -1.54 0.00 0.00 39.78 37.98 3gcg n ASN 132 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3gcg n LYS 133 N 1.14 -5.85 -4.12 3.52 4.76 -1.24 -5.01 118.16 111.35 3gcg n LYS 133 Ca 0.00 0.81 -0.14 0.00 -2.87 0.00 0.00 58.31 56.10 3gcg n LYS 133 Cb 0.23 -5.72 -0.11 0.00 -1.84 0.00 0.00 35.03 27.59 3gcg n LYS 133 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3gcg s GLN 134 N -5.39 0.70 0.06 1.97 -0.21 -0.77 -5.04 119.66 110.99 3gcg s GLN 134 Ca 0.05 -0.96 0.03 0.00 0.02 0.00 0.00 55.36 54.50 3gcg s GLN 134 Cb -0.01 -0.45 -0.03 0.00 1.00 0.00 0.00 33.01 33.52 3gcg s GLN 134 CO 0.75 0.08 -0.09 0.15 -2.12 0.00 0.00 175.29 174.05 3gcg s LYS 135 N -2.15 0.67 0.91 2.91 -0.14 -1.26 -2.91 119.74 117.77 3gcg s LYS 135 Ca -0.02 -0.93 -0.12 0.00 -1.36 0.00 0.00 55.97 53.54 3gcg s LYS 135 Cb -0.07 -0.42 0.08 0.00 -1.68 0.00 0.00 37.83 35.74 3gcg s LYS 135 CO 0.00 0.07 0.74 -0.35 -0.76 0.00 0.00 175.35 175.06 3gcg n PRO 136 N 1.10 -0.28 -3.13 -1.68 -0.04 -1.26 -4.83 135.00 124.88 3gcg n PRO 136 Ca -0.20 -0.03 -0.36 0.00 -0.04 0.00 0.00 63.50 62.87 3gcg n PRO 136 Cb 0.56 -2.09 -0.06 0.00 -0.04 0.00 0.00 33.50 31.87 3gcg n PRO 136 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3gcg s ILE 137 N -2.43 4.60 0.19 0.52 1.09 0.45 -5.02 121.20 120.60 3gcg s ILE 137 Ca 0.62 1.26 0.05 0.00 -1.10 0.00 0.00 60.65 61.48 3gcg s ILE 137 Cb -0.23 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 3gcg s ILE 137 CO 0.62 0.27 0.24 0.42 -0.10 0.00 0.00 174.94 176.38 3gcg s THR 138 N -1.45 4.88 0.33 2.92 -4.23 -1.26 -4.91 115.64 111.91 3gcg s THR 138 Ca 0.41 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 3gcg s THR 138 Cb -0.17 -3.56 0.29 0.00 1.34 0.00 0.00 72.50 70.40 3gcg s THR 138 CO 0.21 -0.19 1.91 -0.65 -0.54 0.00 0.00 174.62 175.36 3gcg h PRO 139 N 1.91 0.85 0.94 3.99 0.11 -1.98 0.13 132.00 137.95 3gcg h PRO 139 Ca -0.49 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.52 3gcg h PRO 139 Cb 1.21 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 32.14 3gcg h PRO 139 CO 0.64 0.57 -0.45 0.93 -0.21 0.00 0.00 178.00 179.47 3gcg h GLU 140 N 0.88 -1.22 0.00 1.05 3.07 -1.99 0.29 114.58 116.65 3gcg h GLU 140 Ca 0.38 0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 59.33 3gcg h GLU 140 Cb 0.34 0.28 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3gcg h GLU 140 CO -0.15 -0.81 -0.01 1.79 -1.40 0.00 0.00 179.01 178.43 3gcg h THR 141 N -1.28 0.92 -0.21 1.13 1.35 -1.91 -2.44 112.91 110.47 3gcg h THR 141 Ca -0.13 -0.02 -0.10 0.00 -0.55 0.00 0.00 66.41 65.61 3gcg h THR 141 Cb 0.97 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3gcg h THR 141 CO 0.21 0.01 -0.24 0.00 -0.25 0.00 0.00 175.52 175.24 3gcg h ALA 142 N 1.99 0.32 -0.30 6.62 0.00 -0.16 -3.11 119.26 124.63 3gcg h ALA 142 Ca -0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3gcg h ALA 142 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3gcg h ALA 142 CO 0.00 0.29 -0.31 0.93 0.00 0.00 0.00 179.25 180.16 3gcg h GLU 143 N 0.23 0.63 -0.79 0.00 3.07 -0.02 -1.41 114.58 116.29 3gcg h GLU 143 Ca 0.03 -0.28 0.04 0.00 -0.50 0.00 0.00 59.36 58.65 3gcg h GLU 143 Cb 0.81 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.65 3gcg h GLU 143 CO 0.06 0.86 0.52 -0.22 -1.40 0.00 0.00 179.01 178.83 3gcg h LYS 144 N 0.54 0.91 0.00 2.33 3.64 -1.48 0.59 116.57 123.11 3gcg h LYS 144 Ca 0.06 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.16 3gcg h LYS 144 Cb 0.80 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3gcg h LYS 144 CO 0.07 0.60 -0.95 1.25 -2.27 0.00 0.00 179.45 178.15 3gcg h LEU 145 N 0.94 0.55 -1.37 5.20 5.85 -1.42 0.59 115.31 125.65 3gcg h LEU 145 Ca 0.32 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3gcg h LEU 145 Cb 0.09 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3gcg h LEU 145 CO -0.10 1.24 0.37 0.00 -0.34 0.00 0.00 178.44 179.61 3gcg h ALA 146 N 0.72 1.53 0.36 1.25 0.00 -0.02 -0.32 119.26 122.78 3gcg h ALA 146 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3gcg h ALA 146 Cb 1.59 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3gcg h ALA 146 CO 0.17 0.41 -0.17 -0.09 0.00 0.00 0.00 179.25 179.57 3gcg h ARG 147 N 0.81 -0.46 -1.15 0.00 2.43 0.36 0.33 114.38 116.69 3gcg h ARG 147 Ca 0.21 0.03 0.36 0.00 -0.81 0.00 0.00 59.98 59.77 3gcg h ARG 147 Cb -0.05 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 29.48 3gcg h ARG 147 CO -0.04 -0.31 0.72 -0.44 -1.51 0.00 0.00 179.97 178.39 3gcg h ASP 148 N -0.73 0.37 -0.26 -3.80 3.45 -0.64 -0.44 116.42 114.37 3gcg h ASP 148 Ca -0.05 0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.55 3gcg h ASP 148 Cb 0.37 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.24 3gcg h ASP 148 CO 0.08 -0.10 0.00 0.18 -1.57 0.00 0.00 179.24 177.83 3gcg n LEU 149 N -4.78 2.57 -0.96 1.55 4.77 -0.15 -4.96 117.00 115.03 3gcg n LEU 149 Ca 0.32 -1.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.12 3gcg n LEU 149 Cb 1.16 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 42.05 3gcg n LEU 149 CO 0.19 0.54 -0.11 0.29 -1.33 0.00 0.00 177.39 176.96 3gcg n LYS 150 N 0.92 -0.77 -2.08 3.23 4.01 -0.18 -4.99 118.16 118.31 3gcg n LYS 150 Ca 0.17 0.70 -0.37 0.00 -0.51 0.00 0.00 58.31 58.31 3gcg n LYS 150 Cb 0.47 -4.70 0.02 0.00 -0.51 0.00 0.00 35.03 30.31 3gcg n LYS 150 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3gcg s ALA 151 N -2.44 2.76 0.06 7.82 0.00 0.08 -4.87 121.76 125.18 3gcg s ALA 151 Ca 0.00 1.03 -0.34 0.00 0.00 0.00 0.00 51.96 52.65 3gcg s ALA 151 Cb 0.00 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.50 3gcg s ALA 151 CO 0.00 -0.99 1.51 0.28 0.00 0.00 0.00 175.76 176.56 3gcg h VAL 152 N 1.36 0.00 -2.81 0.00 2.07 -1.50 -3.45 116.25 111.93 3gcg h VAL 152 Ca -0.50 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 3gcg h VAL 152 Cb 1.28 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3gcg h VAL 152 CO 0.57 0.00 -0.13 1.17 0.02 0.00 0.00 177.57 179.21 3gcg n LYS 153 N -5.31 0.13 -3.77 1.57 4.81 -1.26 -5.06 118.16 109.28 3gcg n LYS 153 Ca -0.14 -0.96 -0.15 0.00 -0.87 0.00 0.00 58.31 56.19 3gcg n LYS 153 Cb 0.46 0.80 -0.16 0.00 0.02 0.00 0.00 35.03 36.16 3gcg n LYS 153 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3gcg s TYR 154 N -2.65 0.03 0.10 5.64 5.04 -1.26 -1.57 117.35 122.68 3gcg s TYR 154 Ca 0.11 0.14 -0.01 0.00 -2.44 0.00 0.00 57.07 54.87 3gcg s TYR 154 Cb 0.00 -0.24 -0.04 0.00 0.35 0.00 0.00 41.96 42.04 3gcg s TYR 154 CO 0.08 -0.09 0.03 0.14 -1.34 0.00 0.00 175.55 174.37 3gcg s VAL 155 N 1.10 0.14 0.11 3.14 -7.23 -0.34 -4.95 120.40 112.37 3gcg s VAL 155 Ca -0.09 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.20 3gcg s VAL 155 Cb -0.13 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 3gcg s VAL 155 CO -0.03 -0.66 0.10 -1.83 -0.31 0.00 0.00 175.10 172.37 3gcg s GLU 156 N -4.00 0.89 0.05 4.82 -1.05 -1.26 -1.20 118.70 116.94 3gcg s GLU 156 Ca 0.17 -1.27 -0.04 0.00 -0.15 0.00 0.00 54.97 53.69 3gcg s GLU 156 Cb 0.07 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 34.05 3gcg s GLU 156 CO -0.03 -0.26 0.18 0.00 0.95 0.00 0.00 175.26 176.10 3gcg s SER 158 N -1.43 1.22 0.39 0.00 0.15 -0.72 -2.96 113.70 110.36 3gcg s SER 158 Ca 0.04 -0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.71 3gcg s SER 158 Cb -0.01 0.28 0.78 0.00 -1.71 0.00 0.00 66.02 65.37 3gcg s SER 158 CO 0.01 -0.30 2.04 0.00 1.20 0.00 0.00 173.24 176.20 3gcg h ALA 159 N 8.34 1.65 0.74 5.45 0.00 -1.90 0.99 119.26 134.53 3gcg h ALA 159 Ca -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3gcg h ALA 159 Cb 1.14 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.74 3gcg h ALA 159 CO 0.22 0.32 -0.36 1.25 0.00 0.00 0.00 179.25 180.69 3gcg h LEU 160 N 0.64 -0.85 0.00 0.00 7.12 -1.94 -3.29 115.31 117.00 3gcg h LEU 160 Ca 0.17 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.21 3gcg h LEU 160 Cb -0.06 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 3gcg h LEU 160 CO -0.04 -0.53 -0.36 0.71 -0.13 0.00 0.00 178.44 178.10 3gcg h THR 161 N -1.15 0.00 0.00 1.05 1.35 -1.96 -3.47 112.91 108.72 3gcg h THR 161 Ca -0.10 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3gcg h THR 161 Cb 0.77 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3gcg h THR 161 CO 0.17 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.44 3gcg n GLN 162 N -2.55 -0.48 -2.07 4.72 6.02 0.34 -4.97 117.38 118.39 3gcg n GLN 162 Ca 0.03 0.12 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 3gcg n GLN 162 Cb 0.49 -3.52 -0.03 0.00 1.02 0.00 0.00 30.24 28.20 3gcg n GLN 162 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3gcg s LYS 163 N -0.56 4.27 0.00 -1.09 2.20 -1.21 -2.15 119.74 121.19 3gcg s LYS 163 Ca 0.00 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 3gcg s LYS 163 Cb 0.00 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 3gcg s LYS 163 CO 0.00 -0.54 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 3gcg n GLY 164 N 3.66 0.57 0.22 5.54 0.00 -1.26 -1.75 105.19 112.17 3gcg n GLY 164 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 3gcg n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gcg h LEU 165 N 0.00 -0.49 -1.24 0.99 6.46 -1.71 -2.47 115.31 116.85 3gcg h LEU 165 Ca 0.00 0.02 0.25 0.00 -0.12 0.00 0.00 57.88 58.02 3gcg h LEU 165 Cb 0.01 0.13 -0.10 0.00 -0.73 0.00 0.00 40.66 39.97 3gcg h LEU 165 CO 0.00 -0.34 0.64 0.50 -0.62 0.00 0.00 178.44 178.62 3gcg h LYS 166 N -0.56 0.48 -0.77 1.25 3.64 -1.91 -0.77 116.57 117.92 3gcg h LYS 166 Ca -0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3gcg h LYS 166 Cb 0.43 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 3gcg h LYS 166 CO 0.09 0.32 0.29 -0.97 -2.27 0.00 0.00 179.45 176.90 3gcg h ASN 167 N 0.49 1.08 -0.46 4.20 -1.24 -1.92 -2.18 115.58 115.56 3gcg h ASN 167 Ca 0.60 -0.19 0.09 0.00 0.71 0.00 0.00 56.30 57.51 3gcg h ASN 167 Cb 1.33 -0.28 -0.08 0.00 0.73 0.00 0.00 38.32 40.02 3gcg h ASN 167 CO -0.34 0.98 -0.08 0.58 -1.29 0.00 0.00 177.43 177.27 3gcg h VAL 168 N 1.13 0.57 0.00 2.57 2.07 -0.65 -1.66 116.25 120.28 3gcg h VAL 168 Ca 0.25 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.65 3gcg h VAL 168 Cb 0.25 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3gcg h VAL 168 CO -0.02 0.01 -0.54 -0.26 0.02 0.00 0.00 177.57 176.78 3gcg h PHE 169 N 0.03 0.00 -0.47 1.57 0.04 -1.49 -2.01 116.94 114.61 3gcg h PHE 169 Ca 0.22 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.90 3gcg h PHE 169 Cb 0.34 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3gcg h PHE 169 CO -0.37 0.54 -0.08 -0.44 -0.60 0.00 0.00 178.31 177.37 3gcg h ASP 170 N 0.00 0.89 0.03 2.17 3.32 -0.82 -2.13 116.42 119.88 3gcg h ASP 170 Ca -0.01 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.59 3gcg h ASP 170 Cb 1.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 3gcg h ASP 170 CO 0.07 1.02 -0.33 -0.33 -1.72 0.00 0.00 179.24 177.95 3gcg h GLU 171 N 0.73 0.43 -0.24 3.56 4.39 -1.23 0.17 114.58 122.40 3gcg h GLU 171 Ca 0.12 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3gcg h GLU 171 Cb 0.62 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 3gcg h GLU 171 CO 0.04 0.71 0.15 0.00 -1.16 0.00 0.00 179.01 178.75 3gcg h ALA 172 N 1.28 0.30 0.02 3.43 0.00 -1.06 0.32 119.26 123.55 3gcg h ALA 172 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gcg h ALA 172 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3gcg h ALA 172 CO 0.06 -0.21 -0.01 0.82 0.00 0.00 0.00 179.25 179.91 3gcg h ILE 173 N 0.31 1.08 -0.43 0.00 2.04 -1.17 -1.33 117.51 118.01 3gcg h ILE 173 Ca 0.09 -0.30 0.09 0.00 1.00 0.00 0.00 64.86 65.73 3gcg h ILE 173 Cb -0.01 1.28 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 3gcg h ILE 173 CO -0.02 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 178.00 3gcg h LEU 174 N -0.15 -0.50 -1.08 1.44 4.07 -0.56 -0.89 115.31 117.64 3gcg h LEU 174 Ca -0.00 0.14 0.02 0.00 0.08 0.00 0.00 57.88 58.12 3gcg h LEU 174 Cb 0.14 0.30 -0.05 0.00 1.08 0.00 0.00 40.66 42.14 3gcg h LEU 174 CO 0.00 -0.17 0.62 0.00 -1.08 0.00 0.00 178.44 177.81 3gcg h ALA 175 N 1.35 1.36 0.00 1.53 0.00 -0.15 -2.41 119.26 120.94 3gcg h ALA 175 Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3gcg h ALA 175 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gcg h ALA 175 CO -0.46 0.57 -0.43 0.00 0.00 0.00 0.00 179.25 178.93 3gcg h ALA 176 N 1.43 1.19 -0.19 0.00 0.00 -0.05 -3.38 119.26 118.26 3gcg h ALA 176 Ca 0.36 -0.39 -0.64 0.00 0.00 0.00 0.00 54.91 54.24 3gcg h ALA 176 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gcg h ALA 176 CO -0.09 0.53 2.47 1.28 0.00 0.00 0.00 179.25 183.44 3gcg n LEU 177 N -3.88 5.19 0.00 0.00 4.77 -0.46 -5.01 117.00 117.61 3gcg n LEU 177 Ca -0.01 -3.57 0.00 0.00 -0.03 0.00 0.00 56.01 52.39 3gcg n LEU 177 Cb 0.47 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3gcg n LEU 177 CO 0.39 0.12 0.07 -0.62 -1.33 0.00 0.00 177.39 176.02