#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 6.52 0.32 1.61 0.01 -1.26 -4.98 113.70 115.92 1x4u s SER 2 Ca 0.00 0.18 -0.06 0.00 1.31 0.00 0.00 55.95 57.38 1x4u s SER 2 Cb 0.00 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1x4u s SER 2 CO 0.00 -1.17 0.49 -0.44 0.41 0.00 0.00 173.24 172.53 1x4u s SER 3 N 2.45 0.59 0.03 2.44 0.01 -1.26 -5.15 113.70 112.82 1x4u s SER 3 Ca 0.40 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 56.33 1x4u s SER 3 Cb -0.09 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.79 1x4u s SER 3 CO 0.27 -1.28 0.00 0.61 0.41 0.00 0.00 173.24 173.25 1x4u n GLY 4 N -0.51 -2.25 3.32 3.44 0.00 -1.26 -5.05 105.19 102.88 1x4u n GLY 4 Ca -0.00 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1x4u n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4u s SER 5 N -4.77 -0.38 -0.12 1.61 0.01 -1.26 -5.09 113.70 103.70 1x4u s SER 5 Ca 0.00 0.53 -0.05 0.00 1.31 0.00 0.00 55.95 57.74 1x4u s SER 5 Cb 0.00 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.82 1x4u s SER 5 CO 0.00 -0.34 -0.08 0.28 0.41 0.00 0.00 173.24 173.51 1x4u h SER 6 N 4.44 0.00 0.00 2.44 0.02 -2.09 -3.50 113.55 114.86 1x4u h SER 6 Ca -0.28 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1x4u h SER 6 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1x4u h SER 6 CO 0.32 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1x4u n GLY 7 N 1.69 0.06 3.63 -3.77 0.00 -1.26 -5.09 105.19 100.46 1x4u n GLY 7 Ca -0.04 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 1x4u n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4u s ARG 8 N 0.00 3.71 -0.28 1.61 3.52 -1.26 -4.94 118.95 121.31 1x4u s ARG 8 Ca 0.00 2.03 -0.25 0.00 -0.13 0.00 0.00 55.73 57.38 1x4u s ARG 8 Cb 0.00 -4.16 0.11 0.00 -1.56 0.00 0.00 34.95 29.33 1x4u s ARG 8 CO 0.00 -1.42 0.93 -0.47 -0.81 0.00 0.00 175.30 173.53 1x4u s TYR 9 N 5.85 -0.58 -0.51 5.12 5.04 -1.26 -5.12 117.35 125.89 1x4u s TYR 9 Ca 0.84 1.41 -0.27 0.00 -2.44 0.00 0.00 57.07 56.61 1x4u s TYR 9 Cb -0.32 0.34 -0.02 0.00 0.35 0.00 0.00 41.96 42.31 1x4u s TYR 9 CO 0.34 -0.28 1.80 -1.25 -1.34 0.00 0.00 175.55 174.82 1x4u s PRO 10 N 0.33 2.92 -0.12 4.97 0.04 -1.26 -4.98 135.00 136.90 1x4u s PRO 10 Ca 0.02 0.87 -0.10 0.00 0.04 0.00 0.00 61.00 61.83 1x4u s PRO 10 Cb -0.05 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 1x4u s PRO 10 CO -0.05 -2.37 0.22 0.99 0.04 0.00 0.00 177.00 175.83 1x4u s THR 11 N 8.10 5.36 -0.24 1.26 2.01 -1.26 -5.07 115.64 125.81 1x4u s THR 11 Ca 0.70 0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.80 1x4u s THR 11 Cb -0.15 -3.51 0.16 0.00 0.01 0.00 0.00 72.50 69.01 1x4u s THR 11 CO 0.25 0.54 1.21 0.21 -0.69 0.00 0.00 174.62 176.14 1x4u s ASN 12 N -0.55 -0.19 0.32 3.53 3.84 -1.26 -5.15 114.94 115.48 1x4u s ASN 12 Ca 0.16 0.22 -0.20 0.00 0.21 0.00 0.00 52.86 53.25 1x4u s ASN 12 Cb -0.13 0.18 -0.14 0.00 -0.55 0.00 0.00 41.25 40.61 1x4u s ASN 12 CO 0.05 -0.16 0.16 -3.20 -2.79 0.00 0.00 177.10 171.15 1x4u n ASN 13 N 0.73 -2.22 -4.80 -4.21 5.15 -1.26 -4.98 115.26 103.67 1x4u n ASN 13 Ca -0.05 0.77 -0.29 0.00 -0.60 0.00 0.00 54.58 54.41 1x4u n ASN 13 Cb 0.58 -0.79 -0.05 0.00 -0.53 0.00 0.00 39.78 39.00 1x4u n ASN 13 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1x4u s PHE 14 N -1.35 1.96 0.00 1.20 0.40 -1.26 -4.96 117.98 113.98 1x4u s PHE 14 Ca 0.53 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1x4u s PHE 14 Cb -0.61 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.11 1x4u s PHE 14 CO 0.54 -0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.84 1x4u n GLY 15 N -1.43 1.15 3.21 4.36 0.00 -1.26 -5.16 105.19 106.06 1x4u n GLY 15 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.86 0.51 0.46 1.61 0.02 -1.26 -4.13 114.94 110.28 1x4u s ASN 16 Ca 0.00 -1.30 -0.25 0.00 -1.02 0.00 0.00 52.86 50.29 1x4u s ASN 16 Cb 0.00 0.28 -0.08 0.00 0.02 0.00 0.00 41.25 41.48 1x4u s ASN 16 CO 0.00 -0.75 1.38 0.00 0.02 0.00 0.00 177.10 177.75 1x4u n THR 18 N -0.28 1.63 0.00 0.00 -1.04 -1.07 -2.47 114.28 111.06 1x4u n THR 18 Ca 0.06 -0.87 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1x4u n THR 18 Cb 0.43 -0.25 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.54 0.00 0.00 3.41 0.00 -1.26 -4.88 105.19 103.00 1x4u n GLY 19 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.71 -3.35 -4.30 0.00 2.88 -1.03 -5.00 113.62 101.11 1x4u n SER 21 Ca -0.01 -0.23 -0.39 0.00 -1.33 0.00 0.00 58.87 56.91 1x4u n SER 21 Cb 0.24 -2.36 -0.11 0.00 -0.75 0.00 0.00 64.21 61.23 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 -3.13 3.20 0.50 -1.46 0.00 -1.26 -4.75 121.76 114.85 1x4u s ALA 22 Ca 0.18 -1.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.03 1x4u s ALA 22 Cb -0.08 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.46 1x4u s ALA 22 CO 0.30 -1.47 1.06 2.41 0.00 0.00 0.00 175.76 178.06 1x4u n THR 23 N 4.90 3.00 -3.67 0.00 -1.04 -1.26 -3.46 114.28 112.75 1x4u n THR 23 Ca -0.11 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.03 1x4u n THR 23 Cb 0.44 -1.27 -0.10 0.00 -1.82 0.00 0.00 70.33 67.59 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 -1.35 3.27 0.02 -1.42 0.40 -1.26 -4.96 117.98 112.68 1x4u s PHE 24 Ca 0.68 0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 57.14 1x4u s PHE 24 Cb -0.48 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 1x4u s PHE 24 CO 0.53 -0.01 -0.03 0.45 0.70 0.00 0.00 175.22 176.86 1x4u n SER 25 N 4.45 0.57 0.00 1.36 2.88 -1.26 -4.94 113.62 116.68 1x4u n SER 25 Ca -0.15 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1x4u n SER 25 Cb 0.52 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1x4u n SER 25 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1x4u n VAL 26 N -3.03 0.00 -4.66 2.46 3.14 -1.26 -5.08 118.33 109.90 1x4u n VAL 26 Ca -0.01 -0.22 -0.30 0.00 -2.96 0.00 0.00 64.34 60.85 1x4u n VAL 26 Cb 0.04 0.76 -0.07 0.00 -1.06 0.00 0.00 33.84 33.51 1x4u n VAL 26 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1x4u n LEU 27 N -0.87 0.00 -3.65 6.55 4.77 -1.26 -4.84 117.00 117.71 1x4u n LEU 27 Ca 0.00 -3.12 -0.21 0.00 -0.03 0.00 0.00 56.01 52.65 1x4u n LEU 27 Cb 0.00 0.59 0.05 0.00 -2.33 0.00 0.00 43.42 41.73 1x4u n LEU 27 CO 0.00 -0.46 0.00 0.29 -1.33 0.00 0.00 177.39 175.90 1x4u n LYS 28 N -1.13 -5.52 -1.22 3.23 5.02 -1.26 -4.73 118.16 112.55 1x4u n LYS 28 Ca -0.15 0.68 -0.48 0.00 -2.02 0.00 0.00 58.31 56.34 1x4u n LYS 28 Cb 0.62 -5.40 -0.07 0.00 -0.02 0.00 0.00 35.03 30.16 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 -4.30 0.00 -1.50 1.97 4.76 -1.26 -4.34 118.16 113.49 1x4u n LYS 29 Ca -0.26 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.82 1x4u n LYS 29 Cb 0.66 -1.06 -0.17 0.00 -1.84 0.00 0.00 35.03 32.62 1x4u n LYS 29 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1x4u n ARG 30 N 2.96 0.00 -3.63 1.97 3.00 -1.26 -4.56 116.66 115.14 1x4u n ARG 30 Ca 0.23 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.76 1x4u n ARG 30 Cb -0.04 -1.37 -0.05 0.00 0.00 0.00 0.00 32.46 31.00 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 8.48 3.66 -0.14 -0.14 0.52 -0.22 -4.93 118.95 126.19 1x4u s ARG 31 Ca 1.35 -0.00 -0.01 0.00 -0.52 0.00 0.00 55.73 56.54 1x4u s ARG 31 Cb -1.16 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 31.46 1x4u s ARG 31 CO 0.51 0.46 -0.12 -1.12 0.02 0.00 0.00 175.30 175.05 1x4u s SER 32 N -2.32 4.12 1.04 0.23 0.01 -1.26 -0.32 113.70 115.19 1x4u s SER 32 Ca 0.41 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.25 1x4u s SER 32 Cb -0.12 -1.64 0.22 0.00 0.21 0.00 0.00 66.02 64.69 1x4u s SER 32 CO 0.23 0.16 1.08 0.00 0.41 0.00 0.00 173.24 175.12 1x4u n SER 34 N -4.57 0.73 0.00 0.00 2.88 -1.03 -3.89 113.62 107.75 1x4u n SER 34 Ca 0.07 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1x4u n SER 34 Cb 0.53 0.78 0.00 0.00 -0.75 0.00 0.00 64.21 64.78 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 -2.74 0.00 0.02 -3.46 5.15 -1.26 -4.53 115.26 108.45 1x4u n ASN 35 Ca -0.31 0.16 -0.01 0.00 -0.60 0.00 0.00 54.58 53.83 1x4u n ASN 35 Cb 1.07 -0.26 0.28 0.00 -0.53 0.00 0.00 39.78 40.34 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 -0.72 0.63 3.61 0.00 0.00 -1.25 -5.02 105.19 102.45 1x4u n GLY 37 Ca 0.01 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 0.93 2.58 -4.84 1.61 3.02 -1.26 -4.70 115.26 112.59 1x4u n ASN 38 Ca -0.01 -2.75 -0.36 0.00 -0.03 0.00 0.00 54.58 51.44 1x4u n ASN 38 Cb 0.51 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.54 1x4u n ASN 38 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1x4u s SER 39 N -4.10 6.83 0.19 6.41 0.01 -1.26 -0.19 113.70 121.59 1x4u s SER 39 Ca 0.33 1.07 -0.20 0.00 1.31 0.00 0.00 55.95 58.45 1x4u s SER 39 Cb -0.03 -2.28 0.05 0.00 0.21 0.00 0.00 66.02 63.96 1x4u s SER 39 CO 0.21 0.13 0.59 -0.36 0.41 0.00 0.00 173.24 174.21 1x4u s PHE 40 N -1.42 -0.32 0.89 2.43 0.08 0.56 -2.60 117.98 117.59 1x4u s PHE 40 Ca 0.36 0.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.32 1x4u s PHE 40 Cb -0.15 0.52 0.18 0.00 -0.57 0.00 0.00 43.02 43.00 1x4u s PHE 40 CO 0.19 -0.93 1.22 0.00 -0.10 0.00 0.00 175.22 175.60 1x4u n SER 42 N -3.48 0.00 -0.06 0.00 3.41 -1.26 -1.74 113.62 110.48 1x4u n SER 42 Ca 0.15 -1.19 -0.07 0.00 -0.26 0.00 0.00 58.87 57.51 1x4u n SER 42 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 1x4u n SER 42 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1x4u n ARG 43 N -0.79 1.82 -0.01 4.33 0.00 -1.26 -4.57 116.66 116.18 1x4u n ARG 43 Ca 0.12 -0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.79 1x4u n ARG 43 Cb 0.05 -1.33 -0.14 0.00 0.00 0.00 0.00 32.46 31.04 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x4u n SER 46 N 0.85 4.46 -4.02 0.00 2.88 -1.23 -4.64 113.62 111.91 1x4u n SER 46 Ca 0.38 -3.55 -0.30 0.00 -1.33 0.00 0.00 58.87 54.06 1x4u n SER 46 Cb 0.60 -0.39 -0.16 0.00 -0.75 0.00 0.00 64.21 63.50 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 -3.59 2.26 -0.28 0.66 0.40 -1.21 -4.99 117.98 111.22 1x4u s PHE 47 Ca 0.47 -1.31 -0.20 0.00 -0.60 0.00 0.00 56.93 55.30 1x4u s PHE 47 Cb 0.40 -1.63 -0.02 0.00 0.51 0.00 0.00 43.02 42.29 1x4u s PHE 47 CO -0.03 -0.69 0.60 0.15 0.70 0.00 0.00 175.22 175.95 1x4u s LYS 48 N 1.46 3.98 0.03 0.44 1.02 -1.26 -0.78 119.74 124.63 1x4u s LYS 48 Ca 0.04 0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.39 1x4u s LYS 48 Cb -0.13 -3.70 -0.02 0.00 -0.52 0.00 0.00 37.83 33.46 1x4u s LYS 48 CO -0.11 -0.49 -0.05 0.14 -0.92 0.00 0.00 175.35 173.92 1x4u s VAL 49 N 2.51 0.32 0.11 3.17 -7.23 0.05 -4.89 120.40 114.45 1x4u s VAL 49 Ca 0.24 -1.05 -0.31 0.00 -1.81 0.00 0.00 61.98 59.05 1x4u s VAL 49 Cb -0.15 -0.51 -0.08 0.00 0.56 0.00 0.00 36.38 36.20 1x4u s VAL 49 CO 0.10 -0.48 1.36 -2.16 -0.31 0.00 0.00 175.10 173.61 1x4u s PRO 50 N -1.69 4.34 0.02 4.82 0.04 -1.26 -0.54 135.00 140.73 1x4u s PRO 50 Ca -0.12 2.03 0.11 0.00 0.04 0.00 0.00 61.00 63.07 1x4u s PRO 50 Cb -0.09 -3.26 -0.21 0.00 0.04 0.00 0.00 34.50 30.98 1x4u s PRO 50 CO -0.01 -0.40 0.87 1.57 0.04 0.00 0.00 177.00 179.07 1x4u h LYS 51 N 6.69 0.00 -0.46 4.56 2.10 -1.51 -3.33 116.57 124.62 1x4u h LYS 51 Ca -0.42 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.26 1x4u h LYS 51 Cb 1.21 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.52 1x4u h LYS 51 CO 0.85 0.63 0.31 0.66 -2.00 0.00 0.00 179.45 179.90 1x4u h SER 52 N 0.00 0.44 -1.66 7.07 4.64 -1.81 -2.54 113.55 119.69 1x4u h SER 52 Ca -0.19 -0.01 -0.68 0.00 -0.47 0.00 0.00 61.79 60.45 1x4u h SER 52 Cb 1.91 -0.10 -0.23 0.00 -0.31 0.00 0.00 62.40 63.66 1x4u h SER 52 CO 0.09 0.30 0.87 -0.24 -0.87 0.00 0.00 176.83 176.99 1x4u n SER 53 N -4.48 7.17 -1.47 4.97 2.88 -1.25 -4.52 113.62 116.92 1x4u n SER 53 Ca 0.05 -3.59 -0.12 0.00 -1.33 0.00 0.00 58.87 53.88 1x4u n SER 53 Cb 0.15 -1.14 0.12 0.00 -0.75 0.00 0.00 64.21 62.59 1x4u n SER 53 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1x4u n MET 54 N 0.05 2.54 0.00 -1.46 2.00 -0.96 -5.00 117.12 114.30 1x4u n MET 54 Ca 0.52 -3.61 0.00 0.00 0.00 0.00 0.00 57.70 54.61 1x4u n MET 54 Cb 0.35 -1.99 0.00 0.00 0.00 0.00 0.00 33.22 31.57 1x4u n MET 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1x4u n GLY 55 N -0.95 2.18 2.81 3.03 0.00 -1.26 -4.80 105.19 106.21 1x4u n GLY 55 Ca 0.37 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.73 0.82 -0.06 4.61 0.00 -1.26 -5.13 121.76 120.01 1x4u s ALA 56 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 51.63 1x4u s ALA 56 Cb 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1x4u s ALA 56 CO 0.00 -0.40 0.29 0.95 0.00 0.00 0.00 175.76 176.61 1x4u s THR 57 N 1.79 0.04 0.86 0.00 -4.23 -1.26 -5.11 115.64 107.72 1x4u s THR 57 Ca 0.03 -0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.09 1x4u s THR 57 Cb -0.13 -0.52 -0.08 0.00 1.34 0.00 0.00 72.50 73.12 1x4u s THR 57 CO -0.05 -0.16 -0.13 0.00 -0.54 0.00 0.00 174.62 173.74 1x4u n ALA 58 N 1.99 -3.61 0.67 3.99 0.00 -1.26 -4.80 120.51 117.50 1x4u n ALA 58 Ca -0.18 -0.49 0.07 0.00 0.00 0.00 0.00 53.44 52.85 1x4u n ALA 58 Cb 0.57 -1.49 0.36 0.00 0.00 0.00 0.00 19.45 18.89 1x4u n ALA 58 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x4u n PRO 59 N 0.62 0.19 -0.03 0.00 -0.04 -1.26 -3.28 135.00 131.20 1x4u n PRO 59 Ca 0.04 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.60 1x4u n PRO 59 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1x4u n PRO 59 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1x4u h GLU 60 N 0.00 -0.05 -6.27 0.54 4.81 -2.05 -3.44 114.58 108.12 1x4u h GLU 60 Ca 0.00 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.68 1x4u h GLU 60 Cb 0.15 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1x4u h GLU 60 CO 0.00 0.30 1.21 0.00 -0.73 0.00 0.00 179.01 179.79 1x4u s ALA 61 N -2.64 3.43 -0.04 2.92 0.00 -1.20 -4.98 121.76 119.25 1x4u s ALA 61 Ca -0.07 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 52.86 1x4u s ALA 61 Cb -0.01 -3.85 0.02 0.00 0.00 0.00 0.00 23.12 19.28 1x4u s ALA 61 CO 0.27 -1.74 0.11 -0.65 0.00 0.00 0.00 175.76 173.75 1x4u s GLN 62 N 4.62 0.12 -1.18 0.00 -0.21 -1.26 -4.59 119.66 117.16 1x4u s GLN 62 Ca 0.83 0.18 -0.15 0.00 0.02 0.00 0.00 55.36 56.24 1x4u s GLN 62 Cb -0.36 0.02 0.15 0.00 1.00 0.00 0.00 33.01 33.82 1x4u s GLN 62 CO 0.35 -0.04 0.38 -2.13 -2.12 0.00 0.00 175.29 171.73 1x4u n ARG 63 N 3.22 -1.08 -3.48 2.91 3.00 -1.26 -4.84 116.66 115.13 1x4u n ARG 63 Ca -0.15 0.09 -0.37 0.00 -0.00 0.00 0.00 57.85 57.42 1x4u n ARG 63 Cb 0.58 -3.54 -0.07 0.00 0.00 0.00 0.00 32.46 29.43 1x4u n ARG 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1x4u s GLU 64 N -5.39 4.20 -0.21 -0.14 2.56 -1.26 -4.99 118.70 113.46 1x4u s GLU 64 Ca 0.53 0.24 -0.15 0.00 0.00 0.00 0.00 54.97 55.59 1x4u s GLU 64 Cb -0.31 -3.39 -0.04 0.00 2.00 0.00 0.00 34.13 32.40 1x4u s GLU 64 CO 0.64 0.30 0.37 0.95 -0.56 0.00 0.00 175.26 176.97 1x4u s THR 65 N 0.22 5.21 0.31 -1.70 -4.23 -1.26 -1.15 115.64 113.04 1x4u s THR 65 Ca 0.20 0.64 0.09 0.00 -1.18 0.00 0.00 61.69 61.45 1x4u s THR 65 Cb -0.14 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 69.94 1x4u s THR 65 CO 0.07 0.25 -0.11 0.68 -0.54 0.00 0.00 174.62 174.97 1x4u s VAL 66 N 1.39 2.14 -0.26 2.29 -7.23 0.30 -4.87 120.40 114.15 1x4u s VAL 66 Ca 0.17 -2.24 -0.13 0.00 -1.81 0.00 0.00 61.98 57.98 1x4u s VAL 66 Cb -0.15 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1x4u s VAL 66 CO 0.08 -0.29 0.26 -0.36 -0.31 0.00 0.00 175.10 174.48 1x4u s PHE 67 N -2.69 3.26 0.51 2.82 0.08 -1.26 -0.77 117.98 119.93 1x4u s PHE 67 Ca 0.31 0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.64 1x4u s PHE 67 Cb 0.01 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 1x4u s PHE 67 CO 0.15 -0.13 0.01 0.14 -0.10 0.00 0.00 175.22 175.29 1x4u s VAL 68 N 1.68 1.10 -0.02 -0.44 -7.23 0.04 -2.46 120.40 113.08 1x4u s VAL 68 Ca 0.11 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.18 1x4u s VAL 68 Cb -0.15 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 1x4u s VAL 68 CO 0.09 0.00 0.30 0.00 -0.31 0.00 0.00 175.10 175.18 1x4u n ALA 70 N 1.53 -0.07 -0.30 0.00 0.00 -0.54 0.17 120.51 121.30 1x4u n ALA 70 Ca -0.14 0.73 0.13 0.00 0.00 0.00 0.00 53.44 54.16 1x4u n ALA 70 Cb 0.53 -0.34 0.28 0.00 0.00 0.00 0.00 19.45 19.92 1x4u n ALA 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1x4u h SER 71 N 0.00 -0.14 0.01 0.00 0.87 -1.94 0.16 113.55 112.50 1x4u h SER 71 Ca 0.26 0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1x4u h SER 71 Cb 0.44 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1x4u h SER 71 CO -0.73 -0.21 -0.00 0.00 -0.53 0.00 0.00 176.83 175.36 1x4u h ASN 73 N -1.00 0.34 -0.39 0.00 -1.24 -0.13 1.17 115.58 114.32 1x4u h ASN 73 Ca -0.00 0.21 -0.12 0.00 0.71 0.00 0.00 56.30 57.10 1x4u h ASN 73 Cb 0.36 0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.61 1x4u h ASN 73 CO 0.00 -0.31 -0.24 1.56 -1.29 0.00 0.00 177.43 177.15 1x4u h GLN 74 N 0.08 0.86 -0.19 6.67 4.20 -0.81 -2.07 115.11 123.84 1x4u h GLN 74 Ca 0.82 -0.40 -0.07 0.00 0.06 0.00 0.00 58.65 59.07 1x4u h GLN 74 Cb 2.25 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 30.01 1x4u h GLN 74 CO -0.64 1.04 -0.14 1.15 -0.67 0.00 0.00 178.83 179.57 1x4u h THR 75 N 0.67 1.32 0.65 -0.54 2.02 0.12 -3.11 112.91 114.04 1x4u h THR 75 Ca 0.08 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 1x4u h THR 75 Cb 0.81 1.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1x4u h THR 75 CO 0.07 0.38 -0.39 -0.07 0.37 0.00 0.00 175.52 175.87 1x4u h LEU 76 N 0.11 -0.98 -0.89 2.58 3.38 -0.61 -3.07 115.31 115.82 1x4u h LEU 76 Ca 0.04 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1x4u h LEU 76 Cb 0.65 0.29 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 1x4u h LEU 76 CO 0.04 -0.61 -0.48 -1.28 0.09 0.00 0.00 178.44 176.19 1x4u h SER 77 N -0.98 -1.74 -3.03 -0.43 0.87 -1.45 -3.40 113.55 103.40 1x4u h SER 77 Ca -0.08 0.30 -0.45 0.00 -1.23 0.00 0.00 61.79 60.33 1x4u h SER 77 Cb 0.79 0.82 0.22 0.00 -0.44 0.00 0.00 62.40 63.79 1x4u h SER 77 CO 0.09 -0.28 -0.32 0.29 -0.53 0.00 0.00 176.83 176.08 1x4u n LYS 78 N -5.37 -2.08 -2.03 2.24 5.02 -1.16 -4.78 118.16 110.00 1x4u n LYS 78 Ca 0.05 -0.58 -0.26 0.00 -2.02 0.00 0.00 58.31 55.50 1x4u n LYS 78 Cb 0.33 -2.04 -0.05 0.00 -0.02 0.00 0.00 35.03 33.25 1x4u n LYS 78 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x4u s SER 79 N -2.24 5.06 -0.76 4.39 0.15 -1.26 -4.86 113.70 114.17 1x4u s SER 79 Ca 0.65 -0.80 -0.33 0.00 0.70 0.00 0.00 55.95 56.16 1x4u s SER 79 Cb -0.22 -2.56 -0.20 0.00 -1.71 0.00 0.00 66.02 61.34 1x4u s SER 79 CO 0.65 -2.86 2.33 0.61 1.20 0.00 0.00 173.24 175.17 1x4u n GLY 80 N 6.69 -0.34 3.75 9.45 0.00 -1.26 -4.83 105.19 118.64 1x4u n GLY 80 Ca 0.41 1.07 -0.41 0.00 0.00 0.00 0.00 46.02 47.09 1x4u n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4u s PRO 81 N 7.38 4.42 0.11 1.61 0.04 -1.26 -4.93 135.00 142.36 1x4u s PRO 81 Ca 1.21 2.05 -0.21 0.00 0.04 0.00 0.00 61.00 64.09 1x4u s PRO 81 Cb -1.26 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.06 1x4u s PRO 81 CO 0.52 -0.17 1.19 0.43 0.04 0.00 0.00 177.00 179.00 1x4u n SER 82 N 2.05 -0.73 -4.89 6.66 7.64 -1.26 -4.42 113.62 118.67 1x4u n SER 82 Ca 0.04 1.35 -0.29 0.00 1.01 0.00 0.00 58.87 60.98 1x4u n SER 82 Cb 0.43 -0.22 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 1x4u n SER 82 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4u s SER 83 N -5.03 5.89 0.00 6.43 1.04 -1.26 -5.26 113.70 115.52 1x4u s SER 83 Ca -0.08 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1x4u s SER 83 Cb 0.08 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1x4u s SER 83 CO 0.43 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.28