#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4u s SER 2 N 0.00 -0.45 -0.07 1.61 0.01 -1.26 -5.16 113.70 108.38 1x4u s SER 2 Ca 0.00 0.83 -0.04 0.00 1.31 0.00 0.00 55.95 58.05 1x4u s SER 2 Cb 0.00 0.79 0.03 0.00 0.21 0.00 0.00 66.02 67.05 1x4u s SER 2 CO 0.00 -0.16 0.17 -0.94 0.41 0.00 0.00 173.24 172.72 1x4u s SER 3 N 0.69 -0.16 0.16 2.44 1.04 -1.26 -5.17 113.70 111.45 1x4u s SER 3 Ca -0.04 0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.76 1x4u s SER 3 Cb -0.05 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 1x4u s SER 3 CO -0.05 -0.12 -0.00 -0.83 0.98 0.00 0.00 173.24 173.22 1x4u s GLY 4 N 0.76 1.16 0.11 7.32 0.00 -1.26 -5.17 107.32 110.25 1x4u s GLY 4 Ca -0.06 -1.56 -0.21 0.00 0.00 0.00 0.00 44.72 42.89 1x4u s GLY 4 CO -0.04 -1.51 0.53 -0.45 0.00 0.00 0.00 173.10 171.62 1x4u s SER 5 N -3.15 -0.45 0.04 1.64 0.15 -1.26 -5.18 113.70 105.49 1x4u s SER 5 Ca 0.23 -0.01 -0.27 0.00 0.70 0.00 0.00 55.95 56.60 1x4u s SER 5 Cb 0.06 0.53 0.09 0.00 -1.71 0.00 0.00 66.02 65.00 1x4u s SER 5 CO 0.03 -0.86 0.79 -0.55 1.20 0.00 0.00 173.24 173.85 1x4u s SER 6 N -2.50 -0.45 0.00 5.45 0.15 -1.26 -5.15 113.70 109.95 1x4u s SER 6 Ca -0.01 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1x4u s SER 6 Cb -0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1x4u s SER 6 CO -0.09 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.24 1x4u n GLY 7 N -0.19 2.64 2.96 9.45 0.00 -1.26 -5.18 105.19 113.61 1x4u n GLY 7 Ca -0.12 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1x4u n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4u s ARG 8 N -0.49 0.27 -0.13 1.61 1.81 -1.26 -5.15 118.95 115.62 1x4u s ARG 8 Ca 0.00 -0.37 -0.10 0.00 -1.72 0.00 0.00 55.73 53.54 1x4u s ARG 8 Cb 0.00 -0.09 -0.05 0.00 -0.45 0.00 0.00 34.95 34.36 1x4u s ARG 8 CO 0.00 0.01 0.20 1.52 -0.68 0.00 0.00 175.30 176.36 1x4u s TYR 9 N -0.74 3.55 -1.10 -0.53 -0.85 -1.26 -5.01 117.35 111.42 1x4u s TYR 9 Ca -0.07 0.56 -0.23 0.00 -0.52 0.00 0.00 57.07 56.82 1x4u s TYR 9 Cb -0.05 -2.11 -0.07 0.00 0.38 0.00 0.00 41.96 40.11 1x4u s TYR 9 CO -0.00 0.54 1.94 -1.25 -1.52 0.00 0.00 175.55 175.26 1x4u s PRO 10 N -0.49 2.51 -0.74 -3.49 0.04 -1.26 -4.87 135.00 126.72 1x4u s PRO 10 Ca 0.15 -0.89 -0.02 0.00 0.04 0.00 0.00 61.00 60.28 1x4u s PRO 10 Cb -0.13 -5.19 0.18 0.00 0.04 0.00 0.00 34.50 29.41 1x4u s PRO 10 CO 0.04 -3.79 0.57 0.95 0.04 0.00 0.00 177.00 174.81 1x4u s THR 11 N 10.72 3.87 0.00 1.26 -4.23 -1.26 -4.74 115.64 121.26 1x4u s THR 11 Ca 0.69 -3.45 0.00 0.00 -1.18 0.00 0.00 61.69 57.75 1x4u s THR 11 Cb -0.03 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1x4u s THR 11 CO 0.09 -0.97 0.00 -0.46 -0.54 0.00 0.00 174.62 172.74 1x4u n ASN 12 N 2.89 1.00 -4.59 3.99 0.23 -1.26 -5.03 115.26 112.50 1x4u n ASN 12 Ca 0.14 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.77 1x4u n ASN 12 Cb 0.37 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 1x4u n ASN 12 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1x4u s ASN 13 N -3.89 6.57 0.33 0.53 4.22 -1.26 -5.03 114.94 116.41 1x4u s ASN 13 Ca 0.00 0.36 0.03 0.00 -2.14 0.00 0.00 52.86 51.12 1x4u s ASN 13 Cb 0.00 -2.42 -0.06 0.00 1.28 0.00 0.00 41.25 40.06 1x4u s ASN 13 CO 0.00 -0.81 0.07 -0.36 -2.04 0.00 0.00 177.10 173.96 1x4u s PHE 14 N 3.27 1.89 -0.31 1.54 0.08 -1.26 -5.08 117.98 118.12 1x4u s PHE 14 Ca 0.34 -1.03 0.15 0.00 0.12 0.00 0.00 56.93 56.51 1x4u s PHE 14 Cb -0.12 -1.23 0.47 0.00 -0.57 0.00 0.00 43.02 41.57 1x4u s PHE 14 CO 0.19 -0.07 1.10 0.41 -0.10 0.00 0.00 175.22 176.74 1x4u n GLY 15 N -0.70 3.56 3.33 4.36 0.00 -1.26 -5.08 105.19 109.41 1x4u n GLY 15 Ca -0.03 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 1x4u n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 16 N -3.57 1.57 0.40 1.61 0.02 -1.26 -3.99 114.94 109.72 1x4u s ASN 16 Ca 0.36 -1.59 -0.24 0.00 -1.02 0.00 0.00 52.86 50.38 1x4u s ASN 16 Cb 0.38 0.42 -0.09 0.00 0.02 0.00 0.00 41.25 41.98 1x4u s ASN 16 CO -0.02 -0.92 1.03 0.00 0.02 0.00 0.00 177.10 177.21 1x4u n THR 18 N -0.10 2.63 0.00 0.00 -1.04 -0.69 -2.61 114.28 112.47 1x4u n THR 18 Ca 0.05 -1.41 0.00 0.00 -2.04 0.00 0.00 64.05 60.65 1x4u n THR 18 Cb 0.50 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1x4u n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x4u n GLY 19 N -0.09 0.00 0.00 3.41 0.00 -1.26 -4.89 105.19 102.36 1x4u n GLY 19 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1x4u n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u n SER 21 N -0.24 -2.86 -4.19 0.00 7.64 -1.07 -4.97 113.62 107.92 1x4u n SER 21 Ca 0.00 -0.71 -0.37 0.00 1.01 0.00 0.00 58.87 58.80 1x4u n SER 21 Cb 0.03 -4.50 -0.12 0.00 -1.01 0.00 0.00 64.21 58.61 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4u s ALA 22 N -3.46 3.05 0.31 -0.43 0.00 -1.26 -4.77 121.76 115.20 1x4u s ALA 22 Ca 0.21 -2.08 -0.28 0.00 0.00 0.00 0.00 51.96 49.80 1x4u s ALA 22 Cb -0.10 -2.28 -0.13 0.00 0.00 0.00 0.00 23.12 20.61 1x4u s ALA 22 CO 0.78 -1.52 1.15 2.41 0.00 0.00 0.00 175.76 178.58 1x4u n THR 23 N 4.70 1.94 -2.94 0.00 -1.04 -1.26 -3.47 114.28 112.20 1x4u n THR 23 Ca -0.09 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.05 61.00 1x4u n THR 23 Cb 0.43 -1.27 -0.05 0.00 -1.82 0.00 0.00 70.33 67.62 1x4u n THR 23 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1x4u s PHE 24 N -1.02 2.83 0.00 -1.42 0.08 -1.26 -4.81 117.98 112.38 1x4u s PHE 24 Ca 0.58 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.22 1x4u s PHE 24 Cb -0.64 -4.03 0.00 0.00 -0.57 0.00 0.00 43.02 37.78 1x4u s PHE 24 CO 0.60 -1.38 0.00 0.45 -0.10 0.00 0.00 175.22 174.79 1x4u n SER 25 N 7.16 0.00 0.00 1.36 2.88 -1.22 -4.80 113.62 118.99 1x4u n SER 25 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1x4u n SER 25 Cb 0.46 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 1x4u n SER 25 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1x4u n VAL 26 N -2.46 0.00 -0.01 2.46 0.24 -1.26 -4.85 118.33 112.45 1x4u n VAL 26 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 1x4u n VAL 26 Cb 0.00 -0.34 -0.09 0.00 -1.47 0.00 0.00 33.84 31.94 1x4u n VAL 26 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1x4u h LEU 27 N 0.00 0.02 -9.22 1.34 3.38 -1.94 -3.46 115.31 105.42 1x4u h LEU 27 Ca 0.00 -0.38 -0.50 0.00 0.09 0.00 0.00 57.88 57.09 1x4u h LEU 27 Cb 0.37 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.98 1x4u h LEU 27 CO 0.00 0.40 -0.64 -1.59 0.09 0.00 0.00 178.44 176.70 1x4u s LYS 28 N -4.68 1.63 0.10 1.13 0.00 -1.26 -4.93 119.74 111.73 1x4u s LYS 28 Ca -0.15 -1.87 0.09 0.00 0.00 0.00 0.00 55.97 54.04 1x4u s LYS 28 Cb 0.03 -1.07 -0.03 0.00 0.00 0.00 0.00 37.83 36.75 1x4u s LYS 28 CO 0.68 -0.07 -0.23 -1.59 0.00 0.00 0.00 175.35 174.13 1x4u s LYS 29 N -3.80 1.33 -0.85 1.78 -2.85 -1.26 -3.44 119.74 110.64 1x4u s LYS 29 Ca 0.33 -1.18 -0.25 0.00 -1.00 0.00 0.00 55.97 53.87 1x4u s LYS 29 Cb 0.07 -1.64 -0.17 0.00 -2.06 0.00 0.00 37.83 34.03 1x4u s LYS 29 CO 0.14 0.39 2.32 -2.13 0.10 0.00 0.00 175.35 176.17 1x4u n ARG 30 N 1.23 0.42 -2.03 1.78 3.00 -1.26 -4.13 116.66 115.67 1x4u n ARG 30 Ca -0.18 -0.97 -0.28 0.00 -0.00 0.00 0.00 57.85 56.42 1x4u n ARG 30 Cb 0.53 -3.55 0.12 0.00 0.00 0.00 0.00 32.46 29.56 1x4u n ARG 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1x4u s ARG 31 N 8.68 1.50 -0.05 -0.14 0.52 0.89 -4.89 118.95 125.47 1x4u s ARG 31 Ca 0.91 -0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 1x4u s ARG 31 Cb -0.15 -1.99 0.02 0.00 0.52 0.00 0.00 34.95 33.35 1x4u s ARG 31 CO 0.13 -1.81 -0.02 -1.12 0.02 0.00 0.00 175.30 172.50 1x4u s SER 32 N -4.69 0.96 0.94 0.23 0.01 -1.26 -2.37 113.70 107.52 1x4u s SER 32 Ca 0.66 -0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.73 1x4u s SER 32 Cb -0.08 -0.37 0.16 0.00 0.21 0.00 0.00 66.02 65.93 1x4u s SER 32 CO 0.49 -0.11 1.09 0.00 0.41 0.00 0.00 173.24 175.13 1x4u n SER 34 N -4.15 0.61 0.00 0.00 2.88 -1.02 -3.81 113.62 108.13 1x4u n SER 34 Ca 0.08 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x4u n SER 34 Cb 0.54 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.70 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x4u n ASN 35 N -2.82 0.00 0.13 -3.46 5.15 -1.26 -4.51 115.26 108.48 1x4u n ASN 35 Ca -0.34 0.16 0.01 0.00 -0.60 0.00 0.00 54.58 53.81 1x4u n ASN 35 Cb 1.10 -0.24 0.32 0.00 -0.53 0.00 0.00 39.78 40.42 1x4u n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1x4u n GLY 37 N -0.50 0.35 3.98 0.00 0.00 -1.25 -5.01 105.19 102.75 1x4u n GLY 37 Ca -0.01 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1x4u n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x4u s ASN 38 N -3.01 4.94 0.10 1.61 0.01 -1.26 -4.68 114.94 112.65 1x4u s ASN 38 Ca 0.16 -0.98 -0.22 0.00 -0.71 0.00 0.00 52.86 51.11 1x4u s ASN 38 Cb -0.07 0.26 -0.07 0.00 0.41 0.00 0.00 41.25 41.79 1x4u s ASN 38 CO 0.19 -1.20 0.64 -0.94 -1.51 0.00 0.00 177.10 174.29 1x4u s SER 39 N -4.48 7.17 0.22 -1.22 1.04 -1.26 -1.03 113.70 114.13 1x4u s SER 39 Ca 0.50 1.39 -0.16 0.00 0.48 0.00 0.00 55.95 58.16 1x4u s SER 39 Cb -0.04 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.68 1x4u s SER 39 CO 0.31 0.24 0.52 -0.36 0.98 0.00 0.00 173.24 174.93 1x4u s PHE 40 N -1.03 0.05 0.50 5.02 0.08 -1.00 -1.71 117.98 119.89 1x4u s PHE 40 Ca 0.32 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.89 1x4u s PHE 40 Cb -0.21 0.34 0.11 0.00 -0.57 0.00 0.00 43.02 42.69 1x4u s PHE 40 CO 0.21 -0.96 0.68 0.00 -0.10 0.00 0.00 175.22 175.05 1x4u n SER 42 N -3.31 1.45 0.00 0.00 3.41 -1.26 -2.74 113.62 111.17 1x4u n SER 42 Ca 0.09 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 1x4u n SER 42 Cb 0.32 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1x4u n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x4u n ARG 43 N 0.15 2.04 -0.02 4.33 1.74 -1.26 -4.70 116.66 118.93 1x4u n ARG 43 Ca 0.07 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.97 1x4u n ARG 43 Cb 0.26 -0.98 -0.14 0.00 -1.02 0.00 0.00 32.46 30.59 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4u n SER 46 N 0.22 4.31 -4.01 0.00 2.88 -1.21 -4.56 113.62 111.26 1x4u n SER 46 Ca 0.45 -3.54 -0.29 0.00 -1.33 0.00 0.00 58.87 54.15 1x4u n SER 46 Cb 0.55 -0.43 -0.17 0.00 -0.75 0.00 0.00 64.21 63.41 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1x4u s PHE 47 N -3.53 1.95 -0.21 0.66 0.40 -1.18 -4.99 117.98 111.08 1x4u s PHE 47 Ca 0.46 -1.01 -0.23 0.00 -0.60 0.00 0.00 56.93 55.54 1x4u s PHE 47 Cb 0.40 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.47 1x4u s PHE 47 CO -0.09 -0.57 0.75 0.15 0.70 0.00 0.00 175.22 176.16 1x4u s LYS 48 N 1.35 4.21 0.03 0.44 1.02 -1.26 -0.77 119.74 124.77 1x4u s LYS 48 Ca 0.01 0.82 0.01 0.00 0.02 0.00 0.00 55.97 56.83 1x4u s LYS 48 Cb -0.13 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.54 1x4u s LYS 48 CO -0.07 -0.37 -0.05 0.14 -0.92 0.00 0.00 175.35 174.08 1x4u s VAL 49 N 2.35 0.30 -0.01 3.17 -7.23 0.86 -4.91 120.40 114.93 1x4u s VAL 49 Ca 0.33 -1.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.09 1x4u s VAL 49 Cb -0.16 -0.57 -0.06 0.00 0.56 0.00 0.00 36.38 36.16 1x4u s VAL 49 CO 0.10 -0.52 1.46 -2.16 -0.31 0.00 0.00 175.10 173.66 1x4u s PRO 50 N -1.85 4.25 -0.10 4.82 0.04 -1.26 -0.66 135.00 140.25 1x4u s PRO 50 Ca -0.10 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 1x4u s PRO 50 Cb -0.08 -3.65 -0.27 0.00 0.04 0.00 0.00 34.50 30.55 1x4u s PRO 50 CO -0.02 -0.64 0.84 1.57 0.04 0.00 0.00 177.00 178.79 1x4u h LYS 51 N 8.16 0.09 -1.58 4.56 2.10 -1.91 -3.28 116.57 124.71 1x4u h LYS 51 Ca -0.38 -0.15 0.46 0.00 -2.00 0.00 0.00 60.65 58.59 1x4u h LYS 51 Cb 1.18 0.05 -0.06 0.00 -0.90 0.00 0.00 32.23 32.49 1x4u h LYS 51 CO 0.92 1.04 1.32 0.66 -2.00 0.00 0.00 179.45 181.38 1x4u h SER 52 N -0.78 0.00 -1.98 7.07 4.64 -1.82 0.34 113.55 121.01 1x4u h SER 52 Ca -0.04 0.00 -0.76 0.00 -0.47 0.00 0.00 61.79 60.52 1x4u h SER 52 Cb 1.15 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.97 1x4u h SER 52 CO 0.04 0.00 1.05 -1.54 -0.87 0.00 0.00 176.83 175.51 1x4u n SER 53 N -3.69 7.45 -0.08 4.97 3.41 -1.24 -4.50 113.62 119.95 1x4u n SER 53 Ca 0.35 -3.76 -0.15 0.00 -0.26 0.00 0.00 58.87 55.05 1x4u n SER 53 Cb 1.79 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 64.59 1x4u n SER 53 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1x4u n MET 54 N -0.32 0.38 0.00 4.33 2.81 0.12 -5.00 117.12 119.44 1x4u n MET 54 Ca 0.52 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.58 1x4u n MET 54 Cb 0.26 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.62 1x4u n MET 54 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x4u n GLY 55 N 1.93 0.72 3.31 3.03 0.00 -1.26 -5.10 105.19 107.83 1x4u n GLY 55 Ca -0.28 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.25 1x4u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u s ALA 56 N 0.00 3.53 -0.15 4.61 0.00 -1.26 -5.05 121.76 123.44 1x4u s ALA 56 Ca 0.00 -2.37 -0.29 0.00 0.00 0.00 0.00 51.96 49.30 1x4u s ALA 56 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1x4u s ALA 56 CO 0.00 -1.87 1.20 0.95 0.00 0.00 0.00 175.76 176.04 1x4u s THR 57 N 1.55 4.38 0.07 0.00 -4.23 -1.26 -4.98 115.64 111.17 1x4u s THR 57 Ca 0.04 1.67 0.01 0.00 -1.18 0.00 0.00 61.69 62.23 1x4u s THR 57 Cb -0.27 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.46 1x4u s THR 57 CO 0.03 -0.11 -0.06 0.00 -0.54 0.00 0.00 174.62 173.94 1x4u s ALA 58 N 3.13 0.78 -2.00 3.99 0.00 -1.26 -5.02 121.76 121.38 1x4u s ALA 58 Ca 0.53 -1.15 0.16 0.00 0.00 0.00 0.00 51.96 51.49 1x4u s ALA 58 Cb -0.21 0.14 0.93 0.00 0.00 0.00 0.00 23.12 23.98 1x4u s ALA 58 CO 0.15 -0.19 1.34 -0.35 0.00 0.00 0.00 175.76 176.70 1x4u n PRO 59 N 0.42 0.49 -0.11 0.00 -0.04 -1.26 -2.89 135.00 131.60 1x4u n PRO 59 Ca -0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 1x4u n PRO 59 Cb 0.59 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 1x4u n PRO 59 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4u n GLU 60 N -1.00 0.62 -2.78 0.54 2.13 -1.26 -4.84 120.64 114.06 1x4u n GLU 60 Ca 0.12 0.29 -0.43 0.00 0.66 0.00 0.00 57.16 57.80 1x4u n GLU 60 Cb 0.05 -1.57 -0.04 0.00 0.27 0.00 0.00 31.44 30.15 1x4u n GLU 60 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x4u s ALA 61 N -2.49 3.17 -0.24 4.31 0.00 -1.14 -4.99 121.76 120.37 1x4u s ALA 61 Ca -0.34 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1x4u s ALA 61 Cb 0.11 -3.75 0.08 0.00 0.00 0.00 0.00 23.12 19.56 1x4u s ALA 61 CO 0.57 -2.28 0.08 -0.65 0.00 0.00 0.00 175.76 173.48 1x4u s GLN 62 N 4.05 0.52 -1.27 0.00 -1.52 -1.26 -4.59 119.66 115.58 1x4u s GLN 62 Ca 0.36 -0.59 -0.12 0.00 -1.95 0.00 0.00 55.36 53.06 1x4u s GLN 62 Cb -0.10 -1.85 0.11 0.00 -0.22 0.00 0.00 33.01 30.94 1x4u s GLN 62 CO 0.24 -0.82 0.47 0.54 -0.25 0.00 0.00 175.29 175.47 1x4u n ARG 63 N 5.06 -2.77 -1.82 2.91 1.74 -1.26 -4.91 116.66 115.60 1x4u n ARG 63 Ca -0.06 0.33 -0.29 0.00 -0.77 0.00 0.00 57.85 57.05 1x4u n ARG 63 Cb 0.45 -4.98 0.13 0.00 -1.02 0.00 0.00 32.46 27.04 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1x4u s GLU 64 N -6.21 1.29 -0.06 5.56 2.56 -1.26 -4.98 118.70 115.59 1x4u s GLU 64 Ca 0.47 -0.04 0.02 0.00 0.00 0.00 0.00 54.97 55.42 1x4u s GLU 64 Cb -0.26 -1.89 0.01 0.00 2.00 0.00 0.00 34.13 34.00 1x4u s GLU 64 CO 0.57 -2.04 -0.13 0.95 -0.56 0.00 0.00 175.26 174.06 1x4u s THR 65 N -3.61 1.14 0.12 -1.70 -4.23 -1.26 -3.35 115.64 102.75 1x4u s THR 65 Ca 0.66 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1x4u s THR 65 Cb -0.09 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 1x4u s THR 65 CO 0.51 0.35 -0.09 0.68 -0.54 0.00 0.00 174.62 175.53 1x4u s VAL 66 N 0.57 1.01 -0.24 2.29 -7.23 0.17 -4.92 120.40 112.05 1x4u s VAL 66 Ca -0.13 -1.91 -0.12 0.00 -1.81 0.00 0.00 61.98 58.01 1x4u s VAL 66 Cb -0.15 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 1x4u s VAL 66 CO 0.03 -0.71 0.23 -0.36 -0.31 0.00 0.00 175.10 173.98 1x4u s PHE 67 N -3.11 3.30 0.48 2.82 0.08 -1.26 -0.10 117.98 120.20 1x4u s PHE 67 Ca 0.12 0.30 0.02 0.00 0.12 0.00 0.00 56.93 57.49 1x4u s PHE 67 Cb 0.01 -2.36 -0.01 0.00 -0.57 0.00 0.00 43.02 40.09 1x4u s PHE 67 CO -0.01 -0.01 0.06 0.14 -0.10 0.00 0.00 175.22 175.30 1x4u s VAL 68 N 1.31 0.88 0.22 -0.44 -7.23 0.05 -2.42 120.40 112.77 1x4u s VAL 68 Ca 0.10 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.20 1x4u s VAL 68 Cb -0.14 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 1x4u s VAL 68 CO 0.07 0.00 0.50 0.00 -0.31 0.00 0.00 175.10 175.36 1x4u h ALA 70 N 2.42 0.70 -0.91 0.00 0.00 -1.41 0.49 119.26 120.54 1x4u h ALA 70 Ca -0.47 0.30 0.21 0.00 0.00 0.00 0.00 54.91 54.95 1x4u h ALA 70 Cb 1.17 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 19.39 1x4u h ALA 70 CO 0.69 -0.43 0.44 0.77 0.00 0.00 0.00 179.25 180.73 1x4u h SER 71 N 0.03 0.43 0.00 0.00 0.02 -1.94 0.59 113.55 112.69 1x4u h SER 71 Ca 0.42 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1x4u h SER 71 Cb 0.72 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1x4u h SER 71 CO -0.79 0.05 -0.05 0.00 -1.14 0.00 0.00 176.83 174.90 1x4u n ASN 73 N -3.62 0.28 -0.11 0.00 5.15 0.78 0.21 115.26 117.96 1x4u n ASN 73 Ca -0.01 1.39 -0.12 0.00 -0.60 0.00 0.00 54.58 55.25 1x4u n ASN 73 Cb 0.03 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 38.56 1x4u n ASN 73 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1x4u h GLN 74 N 0.00 0.66 -0.37 1.20 1.08 -1.01 -1.81 115.11 114.86 1x4u h GLN 74 Ca 0.75 -0.29 -0.15 0.00 -1.45 0.00 0.00 58.65 57.52 1x4u h GLN 74 Cb 2.11 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.51 1x4u h GLN 74 CO -0.61 0.88 -0.35 1.15 -0.95 0.00 0.00 178.83 178.95 1x4u h THR 75 N 0.42 1.28 0.56 -0.54 2.02 0.25 0.44 112.91 117.34 1x4u h THR 75 Ca 0.07 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 1x4u h THR 75 Cb 0.68 1.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.45 1x4u h THR 75 CO 0.05 0.50 -0.27 -0.07 0.37 0.00 0.00 175.52 176.10 1x4u h LEU 76 N 0.71 -0.63 -4.54 2.58 3.38 -0.52 -3.23 115.31 113.04 1x4u h LEU 76 Ca 0.07 -0.04 -0.69 0.00 0.09 0.00 0.00 57.88 57.31 1x4u h LEU 76 Cb 0.91 0.16 -0.32 0.00 0.09 0.00 0.00 40.66 41.51 1x4u h LEU 76 CO 0.08 -0.34 0.51 -1.20 0.09 0.00 0.00 178.44 177.59 1x4u n SER 77 N -5.35 6.82 -0.10 -0.43 7.64 -0.68 -4.69 113.62 116.82 1x4u n SER 77 Ca -0.12 -3.80 -0.12 0.00 1.01 0.00 0.00 58.87 55.85 1x4u n SER 77 Cb 0.33 -0.87 -0.04 0.00 -1.01 0.00 0.00 64.21 62.63 1x4u n SER 77 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1x4u h LYS 78 N 2.60 0.59 -2.45 1.43 2.10 -0.92 -3.47 116.57 116.45 1x4u h LYS 78 Ca 0.51 -0.25 -0.09 0.00 -2.00 0.00 0.00 60.65 58.83 1x4u h LYS 78 Cb 0.53 -0.02 -0.20 0.00 -0.90 0.00 0.00 32.23 31.63 1x4u h LYS 78 CO 1.31 0.81 -0.03 -1.12 -2.00 0.00 0.00 179.45 178.42 1x4u s SER 79 N -6.25 -0.48 0.53 7.07 0.01 -1.26 -5.06 113.70 108.27 1x4u s SER 79 Ca -0.13 0.59 -0.22 0.00 1.31 0.00 0.00 55.95 57.51 1x4u s SER 79 Cb 0.08 0.60 -0.06 0.00 0.21 0.00 0.00 66.02 66.85 1x4u s SER 79 CO 0.79 -0.46 1.21 0.61 0.41 0.00 0.00 173.24 175.81 1x4u n GLY 80 N 1.48 0.37 0.17 3.44 0.00 -1.26 -4.91 105.19 104.47 1x4u n GLY 80 Ca -0.19 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 1x4u n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4u h PRO 81 N 1.27 0.06 -6.20 1.61 0.13 -2.01 -3.47 132.00 123.39 1x4u h PRO 81 Ca -0.49 -0.03 -0.45 0.00 -0.87 0.00 0.00 66.00 64.16 1x4u h PRO 81 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 1x4u h PRO 81 CO 0.56 0.53 -0.79 0.43 -0.23 0.00 0.00 178.00 178.50 1x4u n SER 82 N -3.97 -3.11 -0.28 1.44 7.64 -1.26 -4.85 113.62 109.24 1x4u n SER 82 Ca -0.02 -0.80 0.10 0.00 1.01 0.00 0.00 58.87 59.16 1x4u n SER 82 Cb 0.51 -3.97 0.24 0.00 -1.01 0.00 0.00 64.21 59.98 1x4u n SER 82 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x4u h SER 83 N -2.00 0.00 0.00 6.43 0.02 -2.03 -3.57 113.55 112.39 1x4u h SER 83 Ca -0.60 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1x4u h SER 83 Cb 1.37 0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1x4u h SER 83 CO 0.62 -0.10 0.00 0.61 -1.14 0.00 0.00 176.83 176.82