#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1im3 s TRP 44 N 0.00 0.62 -0.23 6.00 1.48 -1.26 -5.06 118.94 120.49 1im3 s TRP 44 Ca 0.00 -1.06 -0.30 0.00 -1.06 0.00 0.00 56.10 53.68 1im3 s TRP 44 Cb 0.00 -0.42 0.16 0.00 -1.16 0.00 0.00 33.47 32.05 1im3 s TRP 44 CO 0.00 -0.36 1.19 -0.59 -4.06 0.00 0.00 176.95 173.13 1im3 s PHE 45 N -3.88 -0.20 -0.01 1.66 -0.12 -1.26 -2.85 117.98 111.32 1im3 s PHE 45 Ca 0.10 0.34 0.01 0.00 -0.05 0.00 0.00 56.93 57.32 1im3 s PHE 45 Cb 0.08 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.94 1im3 s PHE 45 CO -0.08 -0.18 -0.01 1.14 -0.05 0.00 0.00 175.22 176.04 1im3 s GLN 46 N -1.05 0.16 -0.28 1.99 -2.07 0.94 -4.98 119.66 114.37 1im3 s GLN 46 Ca 0.04 -0.04 -0.28 0.00 -1.82 0.00 0.00 55.36 53.26 1im3 s GLN 46 Cb -0.01 -0.19 0.01 0.00 -1.09 0.00 0.00 33.01 31.73 1im3 s GLN 46 CO -0.03 0.01 0.99 0.42 -1.32 0.00 0.00 175.29 175.35 1im3 s ILE 47 N 0.12 4.65 -0.14 3.63 1.01 -1.26 -1.61 121.20 127.60 1im3 s ILE 47 Ca -0.01 1.72 -0.10 0.00 0.00 0.00 0.00 60.65 62.26 1im3 s ILE 47 Cb -0.03 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1im3 s ILE 47 CO -0.00 -0.30 -0.19 -0.62 0.00 0.00 0.00 174.94 173.83 1im3 n GLU 48 N 6.48 0.43 -4.44 2.79 1.02 -0.10 -5.00 120.64 121.81 1im3 n GLU 48 Ca 0.10 0.46 -0.22 0.00 -0.02 0.00 0.00 57.16 57.48 1im3 n GLU 48 Cb 0.47 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 1im3 n GLU 48 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1im3 s ASP 49 N -5.61 1.86 -0.39 1.62 2.15 -1.11 -4.92 116.67 110.27 1im3 s ASP 49 Ca -0.16 -0.46 0.06 0.00 0.43 0.00 0.00 52.55 52.42 1im3 s ASP 49 Cb 0.02 -0.14 0.18 0.00 -0.30 0.00 0.00 42.92 42.69 1im3 s ASP 49 CO 0.23 0.07 0.66 0.21 -0.17 0.00 0.00 175.17 176.18 1im3 s ASN 50 N -1.10 -1.45 0.04 -0.34 2.47 -1.25 0.05 114.94 113.36 1im3 s ASN 50 Ca 0.03 -0.61 0.00 0.00 0.42 0.00 0.00 52.86 52.71 1im3 s ASN 50 Cb -0.08 1.85 -0.03 0.00 -1.45 0.00 0.00 41.25 41.55 1im3 s ASN 50 CO 0.01 -0.17 -0.04 -0.13 -3.72 0.00 0.00 177.10 173.04 1im3 s ARG 51 N 1.99 0.46 0.13 0.43 0.52 0.05 -4.94 118.95 117.59 1im3 s ARG 51 Ca 0.15 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.38 1im3 s ARG 51 Cb -0.04 0.00 0.04 0.00 0.52 0.00 0.00 34.95 35.47 1im3 s ARG 51 CO -0.10 -0.03 0.42 0.00 0.02 0.00 0.00 175.30 175.61 1im3 s TYR 53 N -3.81 -0.57 -0.13 0.00 -0.85 0.08 -2.01 117.35 110.06 1im3 s TYR 53 Ca 0.03 0.66 -0.02 0.00 -0.52 0.00 0.00 57.07 57.23 1im3 s TYR 53 Cb 0.01 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.83 1im3 s TYR 53 CO -0.11 -0.72 -0.08 0.42 -1.52 0.00 0.00 175.55 173.54 1im3 s ILE 54 N -2.57 3.54 -0.32 -3.49 1.01 -1.26 -1.52 121.20 116.58 1im3 s ILE 54 Ca -0.04 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1im3 s ILE 54 Cb -0.01 -2.51 0.10 0.00 0.01 0.00 0.00 42.46 40.06 1im3 s ILE 54 CO -0.03 0.52 0.11 -0.62 0.00 0.00 0.00 174.94 174.92 1im3 s ASP 55 N 0.20 3.95 -0.67 3.58 2.15 -0.17 -4.86 116.67 120.86 1im3 s ASP 55 Ca -0.05 -1.72 -0.02 0.00 0.43 0.00 0.00 52.55 51.18 1im3 s ASP 55 Cb -0.14 -0.85 -0.03 0.00 -0.30 0.00 0.00 42.92 41.60 1im3 s ASP 55 CO 0.04 -0.40 0.60 -3.20 -0.17 0.00 0.00 175.17 172.04 1im3 n ASN 56 N 4.73 -5.78 -1.83 -0.34 2.85 -1.26 -3.41 115.26 110.23 1im3 n ASN 56 Ca -0.01 -0.32 -0.18 0.00 -0.11 0.00 0.00 54.58 53.96 1im3 n ASN 56 Cb 0.41 -4.05 -0.05 0.00 1.24 0.00 0.00 39.78 37.33 1im3 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1im3 n GLY 57 N -1.42 0.98 3.06 8.20 0.00 -1.26 -4.96 105.19 109.80 1im3 n GLY 57 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1im3 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 s LYS 58 N -4.06 0.70 -0.09 1.61 1.02 -1.22 -2.43 119.74 115.27 1im3 s LYS 58 Ca 0.00 -0.54 -0.06 0.00 0.02 0.00 0.00 55.97 55.40 1im3 s LYS 58 Cb 0.00 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.63 1im3 s LYS 58 CO 0.00 0.16 0.14 -1.17 -0.92 0.00 0.00 175.35 173.56 1im3 s LEU 59 N -0.81 4.34 -0.08 3.17 2.96 0.18 -0.99 118.68 127.45 1im3 s LEU 59 Ca -0.00 0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1im3 s LEU 59 Cb -0.06 -2.20 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1im3 s LEU 59 CO 0.00 0.37 -0.04 -0.36 -1.32 0.00 0.00 176.35 175.00 1im3 s PHE 60 N -1.10 1.00 -0.03 5.38 0.08 -0.57 -2.63 117.98 120.11 1im3 s PHE 60 Ca 0.18 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.84 1im3 s PHE 60 Cb -0.12 -0.93 0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1im3 s PHE 60 CO 0.08 -0.36 0.05 0.00 -0.10 0.00 0.00 175.22 174.89 1im3 s ALA 61 N 1.61 -0.01 0.00 5.36 0.00 -0.42 -0.74 121.76 127.56 1im3 s ALA 61 Ca 0.01 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.33 1im3 s ALA 61 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1im3 s ALA 61 CO -0.05 -0.10 -0.12 0.50 0.00 0.00 0.00 175.76 175.99 1im3 s ARG 62 N 0.85 0.95 0.22 0.00 3.52 0.91 0.24 118.95 125.65 1im3 s ARG 62 Ca -0.07 -0.52 -0.23 0.00 -0.13 0.00 0.00 55.73 54.78 1im3 s ARG 62 Cb -0.10 -0.93 0.04 0.00 -1.56 0.00 0.00 34.95 32.40 1im3 s ARG 62 CO -0.03 0.25 0.82 0.20 -0.81 0.00 0.00 175.30 175.73 1im3 s GLY 63 N -0.53 -0.16 -0.09 8.12 0.00 -0.72 -0.77 107.32 113.17 1im3 s GLY 63 Ca 0.04 -0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.45 1im3 s GLY 63 CO -0.00 -0.04 0.48 -0.45 0.00 0.00 0.00 173.10 173.09 1im3 s SER 64 N -2.92 -0.44 -0.04 1.64 0.15 0.11 -1.88 113.70 110.33 1im3 s SER 64 Ca 0.11 0.59 -0.01 0.00 0.70 0.00 0.00 55.95 57.34 1im3 s SER 64 Cb -0.04 0.63 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 1im3 s SER 64 CO 0.04 -0.39 0.08 -0.63 1.20 0.00 0.00 173.24 173.54 1im3 s ILE 65 N -0.72 -0.05 0.12 6.45 1.01 -0.06 -0.93 121.20 127.03 1im3 s ILE 65 Ca -0.08 0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.81 1im3 s ILE 65 Cb -0.03 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1im3 s ILE 65 CO 0.05 0.07 -0.06 0.68 0.00 0.00 0.00 174.94 175.67 1im3 s VAL 66 N 0.94 3.57 0.00 2.92 -7.23 -0.64 -1.24 120.40 118.73 1im3 s VAL 66 Ca -0.08 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1im3 s VAL 66 Cb -0.10 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.13 1im3 s VAL 66 CO -0.04 0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 1im3 n GLY 67 N 0.47 -0.34 2.19 2.32 0.00 0.00 -0.04 105.19 109.79 1im3 n GLY 67 Ca -0.12 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 1im3 n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1im3 n ASN 68 N 0.00 3.76 -4.76 1.61 6.94 -1.13 -2.43 115.26 119.26 1im3 n ASN 68 Ca 0.00 -3.62 -0.41 0.00 -0.02 0.00 0.00 54.58 50.52 1im3 n ASN 68 Cb 0.00 -0.83 -0.01 0.00 -2.36 0.00 0.00 39.78 36.57 1im3 n ASN 68 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1im3 s MET 69 N -3.31 4.12 0.04 -3.83 1.00 -1.26 -4.35 119.30 111.71 1im3 s MET 69 Ca 0.57 2.57 0.23 0.00 0.00 0.00 0.00 55.69 59.05 1im3 s MET 69 Cb 0.48 -3.02 0.02 0.00 0.00 0.00 0.00 34.83 32.31 1im3 s MET 69 CO 0.10 -0.61 1.00 -1.13 0.00 0.00 0.00 175.02 174.39 1im3 n SER 70 N 1.85 0.62 -3.79 3.03 3.41 -1.26 -0.42 113.62 117.06 1im3 n SER 70 Ca 0.07 -0.29 -0.10 0.00 -0.26 0.00 0.00 58.87 58.29 1im3 n SER 70 Cb 0.38 0.86 -0.05 0.00 -0.26 0.00 0.00 64.21 65.14 1im3 n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1im3 s ARG 71 N -3.18 1.27 0.24 4.33 1.70 -1.26 -4.79 118.95 117.25 1im3 s ARG 71 Ca 0.04 -0.93 -0.17 0.00 -0.47 0.00 0.00 55.73 54.19 1im3 s ARG 71 Cb 0.15 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 35.01 1im3 s ARG 71 CO 0.81 -0.51 0.57 -0.59 -1.08 0.00 0.00 175.30 174.50 1im3 s PHE 72 N -3.89 -0.00 -0.04 5.89 -0.71 -1.26 -1.91 117.98 116.05 1im3 s PHE 72 Ca 0.10 -0.38 -0.00 0.00 -1.04 0.00 0.00 56.93 55.62 1im3 s PHE 72 Cb 0.01 0.44 0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1im3 s PHE 72 CO -0.03 -1.04 0.00 0.08 -1.34 0.00 0.00 175.22 172.89 1im3 s VAL 73 N -3.93 0.21 -0.36 -2.49 1.01 -0.46 -4.98 120.40 109.41 1im3 s VAL 73 Ca 0.14 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.13 1im3 s VAL 73 Cb -0.02 -0.33 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1im3 s VAL 73 CO 0.04 0.17 0.17 0.12 0.00 0.00 0.00 175.10 175.60 1im3 s PHE 74 N 1.29 3.24 -0.65 5.22 5.36 -1.26 -2.35 117.98 128.84 1im3 s PHE 74 Ca -0.06 -1.12 0.05 0.00 -0.96 0.00 0.00 56.93 54.84 1im3 s PHE 74 Cb -0.13 -2.38 0.19 0.00 -0.34 0.00 0.00 43.02 40.36 1im3 s PHE 74 CO -0.02 -0.67 0.52 -3.47 -1.46 0.00 0.00 175.22 170.11 1im3 n ASP 75 N 4.93 2.61 -4.74 6.13 2.03 -0.31 -5.05 116.55 122.15 1im3 n ASP 75 Ca -0.12 -3.13 -0.41 0.00 0.52 0.00 0.00 54.79 51.65 1im3 n ASP 75 Cb 0.46 -0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 40.09 1im3 n ASP 75 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1im3 s PRO 76 N -1.44 4.71 0.07 -0.67 0.04 -1.26 -1.60 135.00 134.85 1im3 s PRO 76 Ca 0.29 1.55 0.07 0.00 0.04 0.00 0.00 61.00 62.94 1im3 s PRO 76 Cb 0.01 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1im3 s PRO 76 CO -0.15 0.25 -0.18 0.15 0.04 0.00 0.00 177.00 177.12 1im3 s LYS 77 N -0.46 1.08 -0.10 4.56 3.01 0.15 -0.18 119.74 127.79 1im3 s LYS 77 Ca 0.46 -1.01 -0.15 0.00 -1.01 0.00 0.00 55.97 54.26 1im3 s LYS 77 Cb -0.26 -1.21 -0.05 0.00 -1.01 0.00 0.00 37.83 35.30 1im3 s LYS 77 CO 0.32 0.29 0.37 0.00 0.51 0.00 0.00 175.35 176.84 1im3 s ALA 78 N -1.06 3.61 -0.23 5.17 0.00 -0.02 -0.93 121.76 128.30 1im3 s ALA 78 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 1im3 s ALA 78 Cb -0.09 -2.43 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1im3 s ALA 78 CO 0.03 0.22 -0.01 0.34 0.00 0.00 0.00 175.76 176.33 1im3 s ASP 79 N -0.05 4.55 -0.35 0.00 -1.08 -0.76 -2.47 116.67 116.52 1im3 s ASP 79 Ca 0.21 -0.33 0.08 0.00 -0.52 0.00 0.00 52.55 51.99 1im3 s ASP 79 Cb -0.15 -1.79 0.73 0.00 -1.46 0.00 0.00 42.92 40.25 1im3 s ASP 79 CO 0.08 -0.02 1.83 -1.22 0.52 0.00 0.00 175.17 176.36 1im3 n TYR 80 N 4.79 2.59 -1.46 -5.34 4.01 0.08 -0.80 117.16 121.02 1im3 n TYR 80 Ca -0.18 -1.31 0.00 0.00 -0.16 0.00 0.00 57.90 56.25 1im3 n TYR 80 Cb 0.51 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.80 1im3 n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1im3 n GLY 81 N -0.32 -1.30 0.00 2.72 0.00 -1.26 -4.59 105.19 100.44 1im3 n GLY 81 Ca 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1im3 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1im3 n GLY 82 N -0.34 2.88 3.34 -0.02 0.00 -1.26 -4.99 105.19 104.80 1im3 n GLY 82 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 45.03 1im3 n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1im3 s VAL 83 N 0.00 1.96 0.00 1.61 0.11 -1.26 -5.13 120.40 117.68 1im3 s VAL 83 Ca 0.00 -1.72 0.00 0.00 -2.93 0.00 0.00 61.98 57.33 1im3 s VAL 83 Cb 0.00 -1.79 0.00 0.00 -1.53 0.00 0.00 36.38 33.06 1im3 s VAL 83 CO 0.00 -0.06 0.00 0.61 -3.33 0.00 0.00 175.10 172.32 1im3 n GLY 84 N 0.83 3.86 3.48 6.54 0.00 -1.26 -0.74 105.19 117.90 1im3 n GLY 84 Ca -0.17 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1im3 n GLY 84 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1im3 s GLU 85 N 1.67 0.97 0.39 1.61 -1.05 -1.03 -4.99 118.70 116.27 1im3 s GLU 85 Ca 0.00 -0.36 -0.25 0.00 -0.15 0.00 0.00 54.97 54.21 1im3 s GLU 85 Cb 0.00 0.44 -0.09 0.00 -0.44 0.00 0.00 34.13 34.05 1im3 s GLU 85 CO 0.00 -0.42 1.14 -0.80 0.95 0.00 0.00 175.26 176.12 1im3 s ASN 86 N -2.57 6.60 0.04 0.83 0.01 -1.26 -0.84 114.94 117.76 1im3 s ASN 86 Ca 0.04 2.27 0.02 0.00 -0.71 0.00 0.00 52.86 54.49 1im3 s ASN 86 Cb -0.01 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1im3 s ASN 86 CO -0.10 -0.61 0.03 -0.76 -1.51 0.00 0.00 177.10 174.14 1im3 s LEU 87 N -2.48 3.61 -0.18 0.60 1.43 0.75 -4.82 118.68 117.58 1im3 s LEU 87 Ca 0.57 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1im3 s LEU 87 Cb -0.29 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.76 1im3 s LEU 87 CO 0.36 0.23 -0.20 -0.31 0.23 0.00 0.00 176.35 176.66 1im3 s TYR 88 N -1.22 2.77 0.05 0.29 2.02 -1.26 -4.51 117.35 115.49 1im3 s TYR 88 Ca 0.24 -1.64 0.06 0.00 -0.37 0.00 0.00 57.07 55.35 1im3 s TYR 88 Cb -0.12 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.49 1im3 s TYR 88 CO 0.15 -0.80 -0.10 0.14 -1.57 0.00 0.00 175.55 173.36 1im3 s VAL 89 N 1.29 3.35 0.48 0.71 -7.23 -1.26 -5.05 120.40 112.68 1im3 s VAL 89 Ca 0.05 -1.06 -0.23 0.00 -1.81 0.00 0.00 61.98 58.93 1im3 s VAL 89 Cb -0.13 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.25 1im3 s VAL 89 CO -0.13 0.27 1.25 -2.28 -0.31 0.00 0.00 175.10 173.90 1im3 s HIS 90 N -1.07 2.68 0.59 2.82 2.46 -1.26 -4.90 115.29 116.62 1im3 s HIS 90 Ca 0.18 1.46 0.29 0.00 0.47 0.00 0.00 55.06 57.47 1im3 s HIS 90 Cb -0.11 -3.56 1.76 0.00 -0.13 0.00 0.00 32.58 30.53 1im3 s HIS 90 CO 0.09 -2.04 2.19 0.00 -2.47 0.00 0.00 174.74 172.51 1im3 h ALA 91 N 1.99 1.64 0.00 1.58 0.00 -1.99 -0.91 119.26 121.57 1im3 h ALA 91 Ca -0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1im3 h ALA 91 Cb 1.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1im3 h ALA 91 CO 0.60 -0.12 -0.04 -0.44 0.00 0.00 0.00 179.25 179.24 1im3 h ASP 92 N 0.00 0.00 -0.19 0.00 3.32 -1.99 -2.80 116.42 114.76 1im3 h ASP 92 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1im3 h ASP 92 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1im3 h ASP 92 CO -0.00 0.04 0.00 0.47 -1.72 0.00 0.00 179.24 178.03 1im3 n ASP 93 N -3.21 1.39 -3.88 6.45 10.43 -0.35 -4.79 116.55 122.59 1im3 n ASP 93 Ca -0.01 -1.80 -0.20 0.00 2.57 0.00 0.00 54.79 55.36 1im3 n ASP 93 Cb 0.26 -0.13 -0.16 0.00 1.84 0.00 0.00 41.12 42.93 1im3 n ASP 93 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1im3 s VAL 94 N -1.75 0.50 -0.10 2.53 1.01 -1.06 0.32 120.40 121.86 1im3 s VAL 94 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1im3 s VAL 94 Cb 0.14 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 36.00 1im3 s VAL 94 CO 0.20 0.22 -0.08 -1.61 0.00 0.00 0.00 175.10 173.83 1im3 s GLU 95 N 0.95 1.46 -0.09 2.72 2.02 0.15 -4.96 118.70 120.95 1im3 s GLU 95 Ca -0.11 -0.25 0.04 0.00 0.02 0.00 0.00 54.97 54.67 1im3 s GLU 95 Cb -0.14 -1.47 -0.00 0.00 0.10 0.00 0.00 34.13 32.61 1im3 s GLU 95 CO -0.00 -0.20 -0.23 0.12 0.02 0.00 0.00 175.26 174.96 1im3 s PHE 96 N 1.49 2.56 -0.34 1.61 5.36 -1.26 -0.42 117.98 126.98 1im3 s PHE 96 Ca 0.00 -0.91 0.04 0.00 -0.96 0.00 0.00 56.93 55.10 1im3 s PHE 96 Cb -0.13 -1.69 0.10 0.00 -0.34 0.00 0.00 43.02 40.95 1im3 s PHE 96 CO -0.05 -0.34 0.06 0.08 -1.46 0.00 0.00 175.22 173.50 1im3 s VAL 97 N 0.20 2.26 0.08 3.12 1.01 0.33 -5.00 120.40 122.40 1im3 s VAL 97 Ca -0.14 -2.35 -0.36 0.00 0.00 0.00 0.00 61.98 59.13 1im3 s VAL 97 Cb -0.17 -2.67 -0.18 0.00 0.00 0.00 0.00 36.38 33.36 1im3 s VAL 97 CO 0.07 -0.61 1.06 -2.65 0.00 0.00 0.00 175.10 172.97 1im3 n PRO 98 N 4.24 0.46 -0.40 2.72 -0.02 -1.26 -0.33 135.00 140.41 1im3 n PRO 98 Ca 0.04 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1im3 n PRO 98 Cb 0.42 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 1im3 n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1im3 n GLY 99 N 1.87 1.66 1.31 -1.23 0.00 0.44 -4.76 105.19 104.47 1im3 n GLY 99 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1im3 n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1im3 n GLU 100 N -2.00 0.00 -3.76 1.61 1.02 0.56 -3.98 120.64 114.09 1im3 n GLU 100 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 1im3 n GLU 100 Cb 0.00 -0.36 -0.02 0.00 -0.02 0.00 0.00 31.44 31.04 1im3 n GLU 100 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1im3 s SER 101 N -5.45 -0.27 -0.05 1.62 1.04 -0.65 -0.81 113.70 109.12 1im3 s SER 101 Ca 0.00 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 1im3 s SER 101 Cb 0.00 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.77 1im3 s SER 101 CO 0.00 -1.12 0.03 -0.22 0.98 0.00 0.00 173.24 172.91 1im3 s LEU 102 N -2.88 0.47 0.04 2.42 1.98 -0.37 -0.51 118.68 119.83 1im3 s LEU 102 Ca 0.10 -0.00 0.04 0.00 -2.89 0.00 0.00 54.13 51.38 1im3 s LEU 102 Cb -0.04 -0.27 -0.02 0.00 0.66 0.00 0.00 46.19 46.52 1im3 s LEU 102 CO 0.02 -0.21 -0.12 -0.54 -1.89 0.00 0.00 176.35 173.62 1im3 s LYS 103 N 1.92 0.78 0.07 1.98 1.02 0.45 -0.88 119.74 125.08 1im3 s LYS 103 Ca 0.03 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.38 1im3 s LYS 103 Cb -0.12 -0.74 -0.03 0.00 -0.52 0.00 0.00 37.83 36.42 1im3 s LYS 103 CO -0.04 0.18 -0.15 1.67 -0.92 0.00 0.00 175.35 176.09 1im3 s TRP 104 N -0.89 1.33 -0.42 3.18 -2.14 -0.79 0.30 118.94 119.51 1im3 s TRP 104 Ca -0.01 -0.44 0.08 0.00 2.66 0.00 0.00 56.10 58.39 1im3 s TRP 104 Cb -0.08 -0.75 0.26 0.00 -3.10 0.00 0.00 33.47 29.81 1im3 s TRP 104 CO 0.01 0.08 0.67 -1.71 -2.66 0.00 0.00 176.95 173.35 1im3 n ASN 105 N 1.32 -0.75 -4.70 -2.66 5.15 0.15 -1.75 115.26 112.01 1im3 n ASN 105 Ca -0.21 -2.95 -0.42 0.00 -0.60 0.00 0.00 54.58 50.41 1im3 n ASN 105 Cb 0.54 0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.95 1im3 n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1im3 s VAL 106 N -0.70 3.27 0.03 3.44 1.01 0.14 -4.57 120.40 123.01 1im3 s VAL 106 Ca 0.34 0.82 0.02 0.00 0.00 0.00 0.00 61.98 63.16 1im3 s VAL 106 Cb 0.21 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1im3 s VAL 106 CO -0.14 0.03 -0.08 -0.13 0.00 0.00 0.00 175.10 174.78 1im3 s ARG 107 N 1.82 0.56 -1.47 2.72 0.52 -1.26 -1.30 118.95 120.54 1im3 s ARG 107 Ca 0.67 -0.57 -0.13 0.00 -0.52 0.00 0.00 55.73 55.17 1im3 s ARG 107 Cb -0.37 -0.44 0.10 0.00 0.52 0.00 0.00 34.95 34.77 1im3 s ARG 107 CO 0.30 0.10 0.69 0.09 0.02 0.00 0.00 175.30 176.50 1im3 n ASN 108 N 2.01 -3.85 -4.56 0.23 3.02 -1.21 -4.92 115.26 105.99 1im3 n ASN 108 Ca -0.19 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 1im3 n ASN 108 Cb 0.56 -3.15 -0.07 0.00 -0.61 0.00 0.00 39.78 36.51 1im3 n ASN 108 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1im3 s LEU 109 N -6.90 4.29 0.33 3.41 2.96 -1.08 -4.87 118.68 116.82 1im3 s LEU 109 Ca 0.57 0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 54.25 1im3 s LEU 109 Cb -0.30 -2.77 -0.12 0.00 0.50 0.00 0.00 46.19 43.49 1im3 s LEU 109 CO 0.70 -0.63 1.39 0.47 -1.32 0.00 0.00 176.35 176.96 1im3 n ASP 110 N 6.08 3.10 -4.07 3.68 8.00 -1.26 -0.65 116.55 131.44 1im3 n ASP 110 Ca -0.01 1.19 -0.10 0.00 0.71 0.00 0.00 54.79 56.58 1im3 n ASP 110 Cb 0.48 -1.52 -0.08 0.00 -0.02 0.00 0.00 41.12 39.99 1im3 n ASP 110 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1im3 s VAL 111 N -0.79 0.06 0.37 2.53 -7.23 -1.02 -4.83 120.40 109.48 1im3 s VAL 111 Ca 0.58 -1.66 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 1im3 s VAL 111 Cb -0.55 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.27 1im3 s VAL 111 CO 0.59 -0.26 0.66 -0.04 -0.31 0.00 0.00 175.10 175.74 1im3 s MET 112 N -4.03 3.64 0.40 4.82 -1.94 -1.26 -4.76 119.30 116.17 1im3 s MET 112 Ca 0.24 0.13 0.09 0.00 -1.71 0.00 0.00 55.69 54.44 1im3 s MET 112 Cb 0.05 -2.52 0.88 0.00 2.01 0.00 0.00 34.83 35.25 1im3 s MET 112 CO 0.04 0.05 2.00 -1.35 -0.01 0.00 0.00 175.02 175.75 1im3 h PRO 113 N 1.16 0.55 0.00 2.03 0.11 -2.02 -0.32 132.00 133.50 1im3 h PRO 113 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1im3 h PRO 113 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1im3 h PRO 113 CO 0.64 0.36 0.00 -0.89 -0.21 0.00 0.00 178.00 177.90 1im3 n ILE 114 N -4.47 1.11 -1.54 4.15 5.41 -1.26 -4.78 119.36 117.98 1im3 n ILE 114 Ca 0.08 0.28 -0.50 0.00 1.00 0.00 0.00 62.75 63.60 1im3 n ILE 114 Cb 0.21 -1.17 -0.06 0.00 -0.71 0.00 0.00 39.64 37.91 1im3 n ILE 114 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1im3 n PHE 115 N -1.35 1.85 -0.02 1.39 7.35 -0.13 -4.50 117.46 122.04 1im3 n PHE 115 Ca 0.03 0.19 -0.02 0.00 -0.76 0.00 0.00 57.45 56.88 1im3 n PHE 115 Cb 0.06 -2.58 -0.01 0.00 0.35 0.00 0.00 39.48 37.30 1im3 n PHE 115 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1im3 n GLU 116 N 7.68 0.14 -2.86 -4.13 1.02 0.02 -5.01 120.64 117.50 1im3 n GLU 116 Ca 0.34 0.13 -0.08 0.00 -0.02 0.00 0.00 57.16 57.53 1im3 n GLU 116 Cb 0.26 -0.82 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 1im3 n GLU 116 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1im3 n THR 117 N -2.99 0.00 -3.95 2.62 -2.24 -0.95 -4.38 114.28 102.39 1im3 n THR 117 Ca -0.03 -0.90 -0.35 0.00 -2.27 0.00 0.00 64.05 60.51 1im3 n THR 117 Cb 0.12 0.39 -0.14 0.00 -2.10 0.00 0.00 70.33 68.60 1im3 n THR 117 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1im3 s LEU 118 N 0.00 3.00 -0.36 3.22 2.96 0.11 -1.83 118.68 125.78 1im3 s LEU 118 Ca 0.12 -0.68 -0.13 0.00 -0.22 0.00 0.00 54.13 53.21 1im3 s LEU 118 Cb 0.01 -1.68 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1im3 s LEU 118 CO 0.08 -0.08 0.25 0.00 -1.32 0.00 0.00 176.35 175.28 1im3 s ALA 119 N 1.38 3.45 -0.39 5.97 0.00 -0.11 -1.23 121.76 130.84 1im3 s ALA 119 Ca 0.03 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.39 1im3 s ALA 119 Cb -0.15 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.32 1im3 s ALA 119 CO -0.05 -1.16 0.19 -1.17 0.00 0.00 0.00 175.76 173.57 1im3 s LEU 120 N 1.68 4.84 -0.10 0.00 2.96 0.21 0.31 118.68 128.58 1im3 s LEU 120 Ca 0.05 -1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 52.39 1im3 s LEU 120 Cb -0.18 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 1im3 s LEU 120 CO 0.10 -0.45 0.44 -0.60 -1.32 0.00 0.00 176.35 174.51 1im3 s ARG 121 N 1.39 4.27 0.02 1.98 3.52 -0.63 -0.44 118.95 129.06 1im3 s ARG 121 Ca 0.02 0.40 0.04 0.00 -0.13 0.00 0.00 55.73 56.05 1im3 s ARG 121 Cb -0.22 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 1im3 s ARG 121 CO 0.02 0.25 -0.11 -0.51 -0.81 0.00 0.00 175.30 174.14 1im3 s LEU 122 N 0.33 2.13 -0.16 -0.88 1.43 0.02 -1.16 118.68 120.39 1im3 s LEU 122 Ca 0.24 -0.36 -0.00 0.00 -1.03 0.00 0.00 54.13 52.98 1im3 s LEU 122 Cb -0.15 -0.49 0.04 0.00 0.03 0.00 0.00 46.19 45.61 1im3 s LEU 122 CO 0.10 0.03 -0.06 0.54 0.23 0.00 0.00 176.35 177.19 1im3 s VAL 123 N -0.69 1.10 -0.23 -1.59 0.11 -0.99 -1.23 120.40 116.89 1im3 s VAL 123 Ca 0.01 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1im3 s VAL 123 Cb -0.07 -1.24 -0.00 0.00 -1.53 0.00 0.00 36.38 33.54 1im3 s VAL 123 CO 0.01 0.18 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.16 1im3 s LEU 124 N 1.65 2.99 -1.08 2.54 1.43 0.21 -1.35 118.68 125.07 1im3 s LEU 124 Ca 0.02 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1im3 s LEU 124 Cb -0.15 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1im3 s LEU 124 CO -0.08 -0.05 0.06 0.00 0.23 0.00 0.00 176.35 176.52 1im3 n GLN 125 N 4.79 -2.41 0.00 1.70 1.13 -0.80 -0.31 117.38 121.47 1im3 n GLN 125 Ca -0.18 0.59 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1im3 n GLN 125 Cb 0.50 -5.21 0.00 0.00 0.11 0.00 0.00 30.24 25.64 1im3 n GLN 125 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1im3 n GLY 126 N -0.86 1.97 3.72 1.08 0.00 -1.26 -5.03 105.19 104.81 1im3 n GLY 126 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1im3 n GLY 126 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1im3 s ASP 127 N -2.14 6.85 -0.09 1.61 1.01 0.57 -5.02 116.67 119.46 1im3 s ASP 127 Ca 0.00 1.02 -0.16 0.00 0.71 0.00 0.00 52.55 54.12 1im3 s ASP 127 Cb 0.00 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1im3 s ASP 127 CO 0.00 -0.08 0.41 -0.69 0.21 0.00 0.00 175.17 175.02 1im3 s VAL 128 N 0.78 5.17 -0.03 -1.27 1.01 -1.26 -0.62 120.40 124.18 1im3 s VAL 128 Ca 0.32 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 63.06 1im3 s VAL 128 Cb -0.17 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1im3 s VAL 128 CO 0.15 0.43 0.12 0.27 0.00 0.00 0.00 175.10 176.07 1im3 s ILE 129 N -0.00 0.04 -0.07 2.22 -4.36 -0.36 -5.00 121.20 113.65 1im3 s ILE 129 Ca 0.23 -0.30 0.02 0.00 -0.26 0.00 0.00 60.65 60.33 1im3 s ILE 129 Cb -0.15 -0.28 -0.03 0.00 1.25 0.00 0.00 42.46 43.26 1im3 s ILE 129 CO 0.10 -0.16 -0.11 0.26 0.24 0.00 0.00 174.94 175.26 1im3 s TRP 130 N -0.53 2.81 0.24 1.37 0.52 -1.26 -0.80 118.94 121.29 1im3 s TRP 130 Ca -0.06 -0.19 0.12 0.00 0.02 0.00 0.00 56.10 55.99 1im3 s TRP 130 Cb -0.04 -1.71 -0.05 0.00 -1.15 0.00 0.00 33.47 30.52 1im3 s TRP 130 CO 0.01 0.16 -0.22 -0.51 0.02 0.00 0.00 176.95 176.40 1im3 s LEU 131 N -0.51 2.52 -0.01 2.99 1.02 0.41 -4.97 118.68 120.13 1im3 s LEU 131 Ca 0.07 -0.95 0.03 0.00 0.02 0.00 0.00 54.13 53.31 1im3 s LEU 131 Cb -0.12 -1.14 -0.01 0.00 0.02 0.00 0.00 46.19 44.94 1im3 s LEU 131 CO 0.02 0.08 -0.11 -0.60 0.02 0.00 0.00 176.35 175.76 1im3 s ARG 132 N -3.11 0.89 -0.06 1.70 6.06 -1.26 -0.62 118.95 122.56 1im3 s ARG 132 Ca 0.26 -0.38 -0.01 0.00 -2.50 0.00 0.00 55.73 53.10 1im3 s ARG 132 Cb -0.06 -0.86 0.03 0.00 0.06 0.00 0.00 34.95 34.12 1im3 s ARG 132 CO 0.13 0.22 0.01 0.00 -2.50 0.00 0.00 175.30 173.15 1im3 s VAL 134 N 1.70 5.24 0.37 0.00 1.01 -1.26 -0.72 120.40 126.74 1im3 s VAL 134 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 1im3 s VAL 134 Cb -0.13 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.49 1im3 s VAL 134 CO -0.04 0.25 1.35 -2.65 0.00 0.00 0.00 175.10 174.02 1im3 n PRO 135 N 4.68 2.26 0.00 2.72 -0.02 -1.26 -4.63 135.00 138.76 1im3 n PRO 135 Ca -0.10 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1im3 n PRO 135 Cb 0.51 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1im3 n PRO 135 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1im3 n GLU 136 N 0.42 0.00 0.00 -0.52 1.02 -0.85 -4.94 120.64 115.77 1im3 n GLU 136 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1im3 n GLU 136 Cb 0.38 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 1im3 n GLU 136 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59