#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 2.52 0.10 1.61 0.15 -1.26 -5.05 113.70 111.78 1x4u s SER 2 Ca 0.00 2.06 0.03 0.00 0.70 0.00 0.00 55.95 58.74 1x4u s SER 2 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1x4u s SER 2 CO 0.00 -3.33 -0.09 -0.55 1.20 0.00 0.00 173.24 170.47 1x4u s SER 3 N -2.64 1.36 0.00 5.45 0.15 -1.26 -5.16 113.70 111.60 1x4u s SER 3 Ca 0.67 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1x4u s SER 3 Cb -0.23 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1x4u s SER 3 CO 0.59 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1x4u n GLY 4 N 0.22 5.31 3.48 9.45 0.00 -1.26 -5.19 105.19 117.20 1x4u n GLY 4 Ca -0.14 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.35 1x4u n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4u s SER 5 N 1.00 -0.46 -0.17 1.61 0.15 -1.26 -5.16 113.70 109.42 1x4u s SER 5 Ca 0.00 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.63 1x4u s SER 5 Cb 0.00 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1x4u s SER 5 CO 0.00 -0.83 -0.15 -0.94 1.20 0.00 0.00 173.24 172.51 1x4u s SER 6 N -2.65 2.93 0.00 5.45 1.04 -1.26 -4.96 113.70 114.25 1x4u s SER 6 Ca 0.03 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1x4u s SER 6 Cb -0.01 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1x4u s SER 6 CO -0.10 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1x4u n GLY 7 N 4.71 0.10 3.39 7.32 0.00 -1.26 -5.16 105.19 114.29 1x4u n GLY 7 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 1x4u n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x4u s ARG 8 N 0.00 -2.24 0.32 1.61 1.70 -1.26 -4.90 118.95 114.18 1x4u s ARG 8 Ca 0.00 0.22 -0.29 0.00 -0.47 0.00 0.00 55.73 55.19 1x4u s ARG 8 Cb 0.00 -1.45 -0.12 0.00 -0.57 0.00 0.00 34.95 32.81 1x4u s ARG 8 CO 0.00 -4.44 1.43 2.48 -1.08 0.00 0.00 175.30 173.69 1x4u n TYR 9 N -5.33 2.56 -0.82 5.89 4.11 -1.26 -4.99 117.16 117.32 1x4u n TYR 9 Ca 0.11 0.44 -0.18 0.00 -0.00 0.00 0.00 57.90 58.27 1x4u n TYR 9 Cb 0.59 -2.49 0.15 0.00 -0.00 0.00 0.00 39.34 37.59 1x4u n TYR 9 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1x4u n PRO 10 N 1.15 -2.30 -5.28 -3.48 -0.04 -1.26 -5.07 135.00 118.72 1x4u n PRO 10 Ca 0.06 -1.04 -0.31 0.00 -0.04 0.00 0.00 63.50 62.17 1x4u n PRO 10 Cb 0.36 -0.98 -0.16 0.00 -0.04 0.00 0.00 33.50 32.68 1x4u n PRO 10 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1x4u s THR 11 N -2.18 2.03 -0.12 0.52 -4.23 -1.26 -5.12 115.64 105.28 1x4u s THR 11 Ca 0.42 -1.08 -0.30 0.00 -1.18 0.00 0.00 61.69 59.55 1x4u s THR 11 Cb -0.04 -1.70 0.12 0.00 1.34 0.00 0.00 72.50 72.22 1x4u s THR 11 CO 0.33 0.57 1.02 0.21 -0.54 0.00 0.00 174.62 176.21 1x4u s ASN 12 N -0.41 -0.31 1.04 3.99 2.47 -1.26 -5.16 114.94 115.29 1x4u s ASN 12 Ca 0.04 0.18 -0.16 0.00 0.42 0.00 0.00 52.86 53.34 1x4u s ASN 12 Cb -0.12 0.29 0.06 0.00 -1.45 0.00 0.00 41.25 40.03 1x4u s ASN 12 CO 0.01 -0.40 0.12 0.59 -3.72 0.00 0.00 177.10 173.71 1x4u n ASN 13 N 0.26 -2.38 -0.01 -4.21 3.02 -1.26 -4.97 115.26 105.72 1x4u n ASN 13 Ca -0.07 0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1x4u n ASN 13 Cb 0.59 -1.05 -0.01 0.00 -0.61 0.00 0.00 39.78 38.70 1x4u n ASN 13 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1x4u h PHE 14 N -1.78 -0.08 0.00 3.10 0.04 -2.00 -3.48 116.94 112.73 1x4u h PHE 14 Ca -0.48 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1x4u h PHE 14 Cb 1.32 0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.50 1x4u h PHE 14 CO 0.26 -0.05 0.00 0.41 -0.60 0.00 0.00 178.31 178.33 1x4u n GLY 15 N 1.56 2.72 3.24 -1.45 0.00 -1.26 -4.98 105.19 105.02 1x4u n GLY 15 Ca -0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.22 0.93 0.74 1.61 0.02 -1.26 -4.23 114.94 112.98 1x4u s ASN 16 Ca 0.00 -1.26 -0.17 0.00 -1.02 0.00 0.00 52.86 50.41 1x4u s ASN 16 Cb 0.00 0.19 -0.08 0.00 0.02 0.00 0.00 41.25 41.38 1x4u s ASN 16 CO 0.00 -0.67 0.09 0.00 0.02 0.00 0.00 177.10 176.54 1x4u n THR 18 N -2.28 1.18 0.00 0.00 -1.04 -0.81 -2.93 114.28 108.39 1x4u n THR 18 Ca 0.07 -1.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 1x4u n THR 18 Cb 0.51 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 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 1.50 0.00 0.08 3.41 0.00 -1.26 -4.84 105.19 104.08 1x4u n GLY 19 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.54 -1.47 -4.40 0.00 2.88 -1.15 -4.89 113.62 104.05 1x4u n SER 21 Ca 0.04 -1.22 -0.40 0.00 -1.33 0.00 0.00 58.87 55.96 1x4u n SER 21 Cb 0.46 -1.49 -0.11 0.00 -0.75 0.00 0.00 64.21 62.32 1x4u n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4u s ALA 22 N -3.96 3.30 0.33 -1.46 0.00 -1.26 -4.71 121.76 114.00 1x4u s ALA 22 Ca 0.24 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.26 1x4u s ALA 22 Cb -0.13 -2.58 -0.11 0.00 0.00 0.00 0.00 23.12 20.30 1x4u s ALA 22 CO 0.93 -1.29 1.49 0.99 0.00 0.00 0.00 175.76 177.88 1x4u s THR 23 N 1.58 2.22 -0.64 0.00 2.01 -1.26 -2.58 115.64 116.98 1x4u s THR 23 Ca 0.03 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.08 1x4u s THR 23 Cb -0.19 -3.13 0.15 0.00 0.01 0.00 0.00 72.50 69.34 1x4u s THR 23 CO 0.07 0.04 0.61 -0.36 -0.69 0.00 0.00 174.62 174.30 1x4u s PHE 24 N -0.68 3.37 0.21 4.92 0.08 -1.26 -4.75 117.98 119.88 1x4u s PHE 24 Ca 0.56 -1.46 0.00 0.00 0.12 0.00 0.00 56.93 56.15 1x4u s PHE 24 Cb -0.45 -3.84 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 1x4u s PHE 24 CO 0.55 -1.05 0.00 0.45 -0.10 0.00 0.00 175.22 175.07 1x4u n SER 25 N 5.04 0.12 0.02 1.36 2.88 -1.26 -4.82 113.62 116.96 1x4u n SER 25 Ca -0.05 0.36 -0.18 0.00 -1.33 0.00 0.00 58.87 57.67 1x4u n SER 25 Cb 0.42 0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 63.95 1x4u n SER 25 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1x4u h VAL 26 N 0.00 1.57 -3.09 2.46 -1.51 -2.03 -3.49 116.25 110.15 1x4u h VAL 26 Ca 0.00 -2.45 -0.16 0.00 -1.23 0.00 0.00 66.70 62.86 1x4u h VAL 26 Cb 0.00 3.19 -0.04 0.00 -2.13 0.00 0.00 31.29 32.31 1x4u h VAL 26 CO 0.00 0.68 -0.09 0.18 -1.23 0.00 0.00 177.57 177.11 1x4u n LEU 27 N -4.24 0.00 -2.94 4.19 4.77 -1.26 -4.98 117.00 112.54 1x4u n LEU 27 Ca -0.13 -1.50 -0.13 0.00 -0.03 0.00 0.00 56.01 54.22 1x4u n LEU 27 Cb 0.73 1.29 0.06 0.00 -2.33 0.00 0.00 43.42 43.18 1x4u n LEU 27 CO 0.45 -0.34 0.06 0.29 -1.33 0.00 0.00 177.39 176.52 1x4u n LYS 28 N -0.30 -3.60 -1.02 3.23 5.02 -1.26 -4.61 118.16 115.61 1x4u n LYS 28 Ca 0.01 0.69 -0.40 0.00 -2.02 0.00 0.00 58.31 56.59 1x4u n LYS 28 Cb 0.31 -5.11 -0.05 0.00 -0.02 0.00 0.00 35.03 30.15 1x4u n LYS 28 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x4u n LYS 29 N -3.22 0.00 -1.55 1.97 5.02 -1.26 -4.49 118.16 114.64 1x4u n LYS 29 Ca -0.15 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.96 1x4u n LYS 29 Cb 0.62 -1.01 -0.10 0.00 -0.02 0.00 0.00 35.03 34.52 1x4u n LYS 29 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1x4u n ARG 30 N 1.01 0.51 -1.65 1.97 0.63 -1.26 -4.41 116.66 113.45 1x4u n ARG 30 Ca 0.14 -0.57 -0.29 0.00 -0.92 0.00 0.00 57.85 56.20 1x4u n ARG 30 Cb 0.06 -3.13 0.10 0.00 0.45 0.00 0.00 32.46 29.93 1x4u n ARG 30 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1x4u s ARG 31 N 8.52 1.91 -0.09 -0.14 3.52 0.48 -4.87 118.95 128.28 1x4u s ARG 31 Ca 1.02 0.43 0.01 0.00 -0.13 0.00 0.00 55.73 57.06 1x4u s ARG 31 Cb -0.30 -1.92 0.02 0.00 -1.56 0.00 0.00 34.95 31.19 1x4u s ARG 31 CO 0.20 -1.70 -0.11 -1.12 -0.81 0.00 0.00 175.30 171.76 1x4u s SER 32 N -4.11 2.08 1.04 -2.12 0.01 -1.26 -1.78 113.70 107.55 1x4u s SER 32 Ca 0.61 -0.33 -0.12 0.00 1.31 0.00 0.00 55.95 57.42 1x4u s SER 32 Cb -0.13 -0.90 0.20 0.00 0.21 0.00 0.00 66.02 65.40 1x4u s SER 32 CO 0.53 -0.03 1.03 0.00 0.41 0.00 0.00 173.24 175.18 1x4u n SER 34 N -4.35 0.71 0.00 0.00 7.64 -1.00 -3.86 113.62 112.76 1x4u n SER 34 Ca 0.08 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1x4u n SER 34 Cb 0.53 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1x4u n SER 34 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1x4u n ASN 35 N -2.74 0.00 0.04 6.43 5.15 -1.26 -4.53 115.26 118.34 1x4u n ASN 35 Ca -0.31 0.15 -0.03 0.00 -0.60 0.00 0.00 54.58 53.80 1x4u n ASN 35 Cb 1.08 -0.22 0.23 0.00 -0.53 0.00 0.00 39.78 40.33 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 -0.41 0.58 1.96 0.00 0.00 -1.25 -5.02 105.19 101.06 1x4u n GLY 37 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 1x4u n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1x4u n ASN 38 N 0.77 1.27 -4.74 1.61 3.02 -1.26 -4.69 115.26 111.23 1x4u n ASN 38 Ca -0.01 -1.82 -0.37 0.00 -0.03 0.00 0.00 54.58 52.35 1x4u n ASN 38 Cb 0.52 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1x4u n ASN 38 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1x4u s SER 39 N -2.77 6.61 0.19 6.41 1.04 -1.26 -1.36 113.70 122.56 1x4u s SER 39 Ca 0.27 0.72 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 1x4u s SER 39 Cb -0.02 -2.24 -0.02 0.00 0.10 0.00 0.00 66.02 63.84 1x4u s SER 39 CO 0.17 0.09 0.28 -0.36 0.98 0.00 0.00 173.24 174.40 1x4u s PHE 40 N 0.31 0.58 0.76 5.02 0.08 -0.73 -1.93 117.98 122.05 1x4u s PHE 40 Ca 0.22 -0.91 -0.01 0.00 0.12 0.00 0.00 56.93 56.35 1x4u s PHE 40 Cb -0.15 -0.13 0.15 0.00 -0.57 0.00 0.00 43.02 42.33 1x4u s PHE 40 CO 0.08 -0.76 1.04 0.00 -0.10 0.00 0.00 175.22 175.48 1x4u n SER 42 N -2.95 0.78 0.00 0.00 2.88 -1.26 -2.31 113.62 110.76 1x4u n SER 42 Ca 0.17 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1x4u n SER 42 Cb 0.60 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 1x4u n SER 42 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x4u n ARG 43 N -0.16 2.25 -0.05 -1.46 1.74 -1.26 -4.70 116.66 113.02 1x4u n ARG 43 Ca 0.02 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.93 1x4u n ARG 43 Cb 0.17 -0.90 -0.14 0.00 -1.02 0.00 0.00 32.46 30.58 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 -0.19 5.37 -4.29 0.00 3.41 -1.24 -4.42 113.62 112.26 1x4u n SER 46 Ca 0.39 -3.75 -0.35 0.00 -0.26 0.00 0.00 58.87 54.90 1x4u n SER 46 Cb 0.83 -0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 63.86 1x4u n SER 46 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1x4u s PHE 47 N -3.57 3.01 -0.31 7.33 0.08 -1.15 -4.99 117.98 118.38 1x4u s PHE 47 Ca 0.57 -1.07 -0.19 0.00 0.12 0.00 0.00 56.93 56.35 1x4u s PHE 47 Cb 0.47 -2.12 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 1x4u s PHE 47 CO 0.03 -0.59 0.57 0.15 -0.10 0.00 0.00 175.22 175.28 1x4u s LYS 48 N 1.45 3.87 0.06 0.44 1.02 -1.26 -0.29 119.74 125.03 1x4u s LYS 48 Ca 0.04 0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.26 1x4u s LYS 48 Cb -0.15 -3.73 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 1x4u s LYS 48 CO -0.03 -0.54 -0.10 0.14 -0.92 0.00 0.00 175.35 173.91 1x4u s VAL 49 N 2.49 0.76 -0.09 3.17 -7.23 0.09 -4.90 120.40 114.70 1x4u s VAL 49 Ca 0.23 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.89 1x4u s VAL 49 Cb -0.15 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.91 1x4u s VAL 49 CO 0.12 -0.36 1.52 -2.16 -0.31 0.00 0.00 175.10 173.91 1x4u s PRO 50 N -1.78 4.20 0.21 4.82 0.04 -1.26 -0.33 135.00 140.90 1x4u s PRO 50 Ca -0.06 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.08 1x4u s PRO 50 Cb -0.09 -3.91 0.12 0.00 0.04 0.00 0.00 34.50 30.66 1x4u s PRO 50 CO 0.01 -0.80 1.47 1.57 0.04 0.00 0.00 177.00 179.29 1x4u h LYS 51 N 9.09 0.04 -0.89 4.56 2.10 -1.67 -3.16 116.57 126.63 1x4u h LYS 51 Ca -0.35 -0.04 0.26 0.00 -2.00 0.00 0.00 60.65 58.52 1x4u h LYS 51 Cb 1.15 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.46 1x4u h LYS 51 CO 0.96 0.79 0.67 0.66 -2.00 0.00 0.00 179.45 180.54 1x4u h SER 52 N 0.02 0.00 -2.43 7.07 4.64 -1.77 -2.22 113.55 118.86 1x4u h SER 52 Ca -0.01 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.52 1x4u h SER 52 Cb 1.37 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.17 1x4u h SER 52 CO 0.10 0.00 0.77 -1.20 -0.87 0.00 0.00 176.83 175.64 1x4u n SER 53 N -4.15 6.75 -3.89 4.97 7.64 -1.20 -4.57 113.62 119.19 1x4u n SER 53 Ca 0.18 -3.61 -0.17 0.00 1.01 0.00 0.00 58.87 56.29 1x4u n SER 53 Cb 0.99 -1.13 -0.15 0.00 -1.01 0.00 0.00 64.21 62.90 1x4u n SER 53 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1x4u s MET 54 N -3.78 0.45 0.00 1.43 1.00 -0.84 -5.00 119.30 112.56 1x4u s MET 54 Ca 0.38 -0.06 0.00 0.00 0.00 0.00 0.00 55.69 56.01 1x4u s MET 54 Cb 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 34.83 34.48 1x4u s MET 54 CO -0.06 -0.03 0.00 0.41 0.00 0.00 0.00 175.02 175.34 1x4u n GLY 55 N 3.66 0.43 3.49 -0.03 0.00 -1.26 -3.92 105.19 107.55 1x4u n GLY 55 Ca -0.21 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.76 2.95 0.60 4.61 0.00 -1.26 -5.10 121.76 122.80 1x4u s ALA 56 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 1x4u s ALA 56 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1x4u s ALA 56 CO 0.00 0.25 1.12 0.95 0.00 0.00 0.00 175.76 178.07 1x4u s THR 57 N 0.28 3.21 0.06 0.00 -4.23 -1.25 -5.00 115.64 108.70 1x4u s THR 57 Ca -0.04 0.65 0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1x4u s THR 57 Cb -0.14 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 1x4u s THR 57 CO 0.03 -0.26 -0.09 0.00 -0.54 0.00 0.00 174.62 173.77 1x4u s ALA 58 N -2.06 0.76 0.12 3.99 0.00 -1.26 -5.04 121.76 118.27 1x4u s ALA 58 Ca 0.70 -0.93 0.34 0.00 0.00 0.00 0.00 51.96 52.07 1x4u s ALA 58 Cb -0.22 0.04 1.42 0.00 0.00 0.00 0.00 23.12 24.36 1x4u s ALA 58 CO 0.34 -0.03 2.00 -1.00 0.00 0.00 0.00 175.76 177.07 1x4u h PRO 59 N 4.14 0.00 0.00 0.00 0.13 -2.00 -3.25 132.00 131.02 1x4u h PRO 59 Ca -0.36 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1x4u h PRO 59 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1x4u h PRO 59 CO 0.46 0.00 -0.41 1.49 -0.23 0.00 0.00 178.00 179.30 1x4u h GLU 60 N 0.00 0.00 -5.88 0.86 4.57 -2.03 -3.42 114.58 108.68 1x4u h GLU 60 Ca 0.00 0.00 -0.41 0.00 -1.18 0.00 0.00 59.36 57.77 1x4u h GLU 60 Cb 0.49 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 1x4u h GLU 60 CO 0.00 0.57 1.07 0.00 -1.18 0.00 0.00 179.01 179.47 1x4u s ALA 61 N -2.43 1.98 -0.24 2.92 0.00 -1.23 -4.90 121.76 117.86 1x4u s ALA 61 Ca -0.16 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1x4u s ALA 61 Cb 0.01 -4.42 0.08 0.00 0.00 0.00 0.00 23.12 18.79 1x4u s ALA 61 CO 0.41 -4.28 0.08 -0.65 0.00 0.00 0.00 175.76 171.32 1x4u s GLN 62 N 6.92 0.46 -0.55 0.00 -0.21 -1.26 -4.42 119.66 120.61 1x4u s GLN 62 Ca 0.67 -0.55 -0.04 0.00 0.02 0.00 0.00 55.36 55.46 1x4u s GLN 62 Cb -0.09 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.11 1x4u s GLN 62 CO 0.10 -0.82 0.48 -2.13 -2.12 0.00 0.00 175.29 170.80 1x4u n ARG 63 N 5.09 -3.22 -4.52 2.91 0.63 -1.26 -5.04 116.66 111.25 1x4u n ARG 63 Ca -0.06 0.33 -0.34 0.00 -0.92 0.00 0.00 57.85 56.86 1x4u n ARG 63 Cb 0.45 -3.86 -0.11 0.00 0.45 0.00 0.00 32.46 29.38 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1x4u s GLU 64 N -5.53 3.04 -0.16 -0.14 -6.30 -1.26 -5.07 118.70 103.28 1x4u s GLU 64 Ca 0.24 -0.51 -0.06 0.00 -2.50 0.00 0.00 54.97 52.14 1x4u s GLU 64 Cb -0.10 -2.71 -0.04 0.00 0.00 0.00 0.00 34.13 31.28 1x4u s GLU 64 CO 0.29 0.56 0.04 0.95 0.02 0.00 0.00 175.26 177.13 1x4u s THR 65 N -0.52 4.62 0.29 -1.70 -4.23 -1.26 -1.66 115.64 111.19 1x4u s THR 65 Ca 0.08 -0.10 0.09 0.00 -1.18 0.00 0.00 61.69 60.58 1x4u s THR 65 Cb -0.12 -3.04 -0.06 0.00 1.34 0.00 0.00 72.50 70.62 1x4u s THR 65 CO 0.02 0.51 -0.12 0.68 -0.54 0.00 0.00 174.62 175.16 1x4u s VAL 66 N 0.02 2.11 -0.38 2.29 -7.23 0.55 -4.90 120.40 112.86 1x4u s VAL 66 Ca 0.05 -2.25 -0.14 0.00 -1.81 0.00 0.00 61.98 57.83 1x4u s VAL 66 Cb -0.12 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.40 1x4u s VAL 66 CO 0.01 -0.34 0.27 -0.36 -0.31 0.00 0.00 175.10 174.38 1x4u s PHE 67 N -2.72 3.23 0.49 2.82 0.08 -1.26 -0.73 117.98 119.89 1x4u s PHE 67 Ca 0.30 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.92 1x4u s PHE 67 Cb 0.00 -2.54 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1x4u s PHE 67 CO 0.14 -0.51 0.26 0.14 -0.10 0.00 0.00 175.22 175.14 1x4u s VAL 68 N 1.69 1.85 0.26 -0.44 -7.23 0.60 -2.36 120.40 114.76 1x4u s VAL 68 Ca 0.05 -1.64 -0.07 0.00 -1.81 0.00 0.00 61.98 58.51 1x4u s VAL 68 Cb -0.18 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 1x4u s VAL 68 CO 0.10 0.00 0.54 0.00 -0.31 0.00 0.00 175.10 175.43 1x4u h ALA 70 N 2.08 0.82 -0.81 0.00 0.00 -1.72 0.39 119.26 120.02 1x4u h ALA 70 Ca -0.47 0.26 0.17 0.00 0.00 0.00 0.00 54.91 54.86 1x4u h ALA 70 Cb 1.18 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 19.31 1x4u h ALA 70 CO 0.68 -0.43 0.34 1.03 0.00 0.00 0.00 179.25 180.86 1x4u h SER 71 N 0.09 0.32 0.07 0.00 0.87 -1.94 -0.70 113.55 112.26 1x4u h SER 71 Ca 0.43 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 61.11 1x4u h SER 71 Cb 0.78 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1x4u h SER 71 CO -0.70 0.09 -0.03 0.00 -0.53 0.00 0.00 176.83 175.65 1x4u n ASN 73 N -4.69 0.26 -0.10 0.00 5.15 1.00 0.24 115.26 117.11 1x4u n ASN 73 Ca -0.01 1.39 -0.14 0.00 -0.60 0.00 0.00 54.58 55.22 1x4u n ASN 73 Cb 0.04 -0.68 -0.03 0.00 -0.53 0.00 0.00 39.78 38.57 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 0.88 -0.23 1.20 1.08 -1.23 -1.53 115.11 115.28 1x4u h GLN 74 Ca 0.78 -0.50 -0.12 0.00 -1.45 0.00 0.00 58.65 57.36 1x4u h GLN 74 Cb 2.27 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.74 1x4u h GLN 74 CO -0.57 1.14 -0.31 1.15 -0.95 0.00 0.00 178.83 179.30 1x4u h THR 75 N 0.68 1.32 -0.08 -0.54 2.02 0.31 0.25 112.91 116.87 1x4u h THR 75 Ca 0.04 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1x4u h THR 75 Cb 1.03 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1x4u h THR 75 CO 0.10 0.47 0.03 -0.07 0.37 0.00 0.00 175.52 176.42 1x4u h LEU 76 N 0.31 0.11 0.07 2.58 3.38 -0.65 -3.25 115.31 117.86 1x4u h LEU 76 Ca 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1x4u h LEU 76 Cb 0.88 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1x4u h LEU 76 CO 0.07 0.26 -0.03 -1.28 0.09 0.00 0.00 178.44 177.54 1x4u h SER 77 N -0.04 -0.08 -1.59 -0.43 0.87 -1.32 -3.44 113.55 107.51 1x4u h SER 77 Ca 0.03 -0.43 -0.71 0.00 -1.23 0.00 0.00 61.79 59.46 1x4u h SER 77 Cb 0.18 0.02 0.04 0.00 -0.44 0.00 0.00 62.40 62.20 1x4u h SER 77 CO -0.00 0.41 0.55 1.17 -0.53 0.00 0.00 176.83 178.42 1x4u n LYS 78 N -4.90 1.05 -2.63 2.24 4.81 0.87 -4.89 118.16 114.71 1x4u n LYS 78 Ca -0.08 0.38 -0.42 0.00 -0.87 0.00 0.00 58.31 57.32 1x4u n LYS 78 Cb 0.26 -2.02 -0.04 0.00 0.02 0.00 0.00 35.03 33.25 1x4u n LYS 78 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1x4u s SER 79 N 1.27 7.34 0.00 3.14 1.04 -1.26 -4.87 113.70 120.37 1x4u s SER 79 Ca 0.89 1.84 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1x4u s SER 79 Cb -1.01 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.52 1x4u s SER 79 CO 0.53 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1x4u n GLY 80 N 2.60 2.45 0.00 7.32 0.00 -1.26 -4.95 105.19 111.34 1x4u n GLY 80 Ca 0.05 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.21 1x4u n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4u n PRO 81 N -0.84 0.49 -0.95 1.61 -0.04 -1.26 -4.89 135.00 129.11 1x4u n PRO 81 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1x4u n PRO 81 Cb 0.00 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.09 1x4u n PRO 81 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4u n SER 82 N -0.82 -0.10 -3.68 3.54 7.64 -1.26 -4.93 113.62 114.01 1x4u n SER 82 Ca 0.08 0.74 -0.30 0.00 1.01 0.00 0.00 58.87 60.40 1x4u n SER 82 Cb 0.03 -0.59 -0.15 0.00 -1.01 0.00 0.00 64.21 62.49 1x4u n SER 82 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4u s SER 83 N -0.07 3.88 0.00 6.43 0.01 -1.26 -5.15 113.70 117.54 1x4u s SER 83 Ca 0.56 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 56.26 1x4u s SER 83 Cb -0.79 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1x4u s SER 83 CO 0.36 -0.42 0.38 0.61 0.41 0.00 0.00 173.24 174.59