#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 -0.49 1.17 1.61 0.01 -1.26 -5.17 113.70 109.57 1x4u s SER 2 Ca 0.00 0.52 -0.17 0.00 1.31 0.00 0.00 55.95 57.60 1x4u s SER 2 Cb 0.00 0.49 0.19 0.00 0.21 0.00 0.00 66.02 66.91 1x4u s SER 2 CO 0.00 -0.54 0.37 -1.20 0.41 0.00 0.00 173.24 172.28 1x4u n SER 3 N 1.12 -2.49 -3.17 2.44 7.64 -1.26 -5.04 113.62 112.87 1x4u n SER 3 Ca -0.20 -0.25 0.02 0.00 1.01 0.00 0.00 58.87 59.45 1x4u n SER 3 Cb 0.57 -1.01 -0.01 0.00 -1.01 0.00 0.00 64.21 62.75 1x4u n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4u s GLY 4 N -2.10 -1.28 -0.37 0.23 0.00 -1.26 -5.12 107.32 97.42 1x4u s GLY 4 Ca 0.58 0.57 -0.17 0.00 0.00 0.00 0.00 44.72 45.70 1x4u s GLY 4 CO 0.62 3.73 0.46 -1.35 0.00 0.00 0.00 173.10 176.55 1x4u s SER 5 N 2.16 6.25 -0.03 1.64 1.04 -1.26 -5.05 113.70 118.45 1x4u s SER 5 Ca 0.15 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1x4u s SER 5 Cb -0.05 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1x4u s SER 5 CO -0.13 -0.48 -0.12 -0.55 0.98 0.00 0.00 173.24 172.94 1x4u s SER 6 N 1.78 1.54 0.00 7.02 0.15 -1.26 -5.10 113.70 117.83 1x4u s SER 6 Ca 0.16 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1x4u s SER 6 Cb -0.16 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1x4u s SER 6 CO 0.13 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.28 1x4u n GLY 7 N 3.26 0.26 2.98 9.45 0.00 -1.26 -5.13 105.19 114.74 1x4u n GLY 7 Ca -0.18 -1.67 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.00 0.37 0.12 1.61 3.03 -1.26 -5.16 118.95 115.66 1x4u s ARG 8 Ca 0.00 -0.38 0.05 0.00 2.03 0.00 0.00 55.73 57.43 1x4u s ARG 8 Cb 0.00 -0.24 -0.04 0.00 -1.03 0.00 0.00 34.95 33.64 1x4u s ARG 8 CO 0.00 0.05 0.03 0.71 -1.13 0.00 0.00 175.30 174.96 1x4u s TYR 9 N -0.65 3.00 0.69 5.89 2.02 -1.26 -5.11 117.35 121.93 1x4u s TYR 9 Ca -0.04 -0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 56.48 1x4u s TYR 9 Cb -0.05 -1.50 0.02 0.00 -0.40 0.00 0.00 41.96 40.03 1x4u s TYR 9 CO -0.00 0.50 1.11 -1.25 -1.57 0.00 0.00 175.55 174.33 1x4u s PRO 10 N -2.61 2.64 0.29 -1.71 0.04 -1.26 -4.92 135.00 127.47 1x4u s PRO 10 Ca 0.27 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1x4u s PRO 10 Cb -0.11 -1.93 0.74 0.00 0.04 0.00 0.00 34.50 33.24 1x4u s PRO 10 CO 0.20 -1.37 1.67 0.00 0.04 0.00 0.00 177.00 177.53 1x4u h THR 11 N -0.30 0.37 0.00 1.26 1.03 -2.01 -3.37 112.91 109.90 1x4u h THR 11 Ca -0.46 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1x4u h THR 11 Cb 1.24 0.07 0.00 0.00 -1.07 0.00 0.00 68.15 68.39 1x4u h THR 11 CO 0.53 0.05 -0.34 -0.46 -0.01 0.00 0.00 175.52 175.29 1x4u n ASN 12 N -5.15 0.28 -2.90 0.00 6.94 -1.26 -5.16 115.26 108.01 1x4u n ASN 12 Ca 0.22 0.13 0.01 0.00 -0.02 0.00 0.00 54.58 54.91 1x4u n ASN 12 Cb 0.69 -0.02 0.01 0.00 -2.36 0.00 0.00 39.78 38.10 1x4u n ASN 12 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1x4u n ASN 13 N -3.12 -0.98 -4.76 0.53 2.85 -1.26 -5.18 115.26 103.34 1x4u n ASN 13 Ca 0.00 -1.33 -0.24 0.00 -0.11 0.00 0.00 54.58 52.90 1x4u n ASN 13 Cb 0.17 1.55 0.09 0.00 1.24 0.00 0.00 39.78 42.83 1x4u n ASN 13 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1x4u s PHE 14 N -2.61 2.20 -0.76 1.20 0.08 -1.26 -4.52 117.98 112.31 1x4u s PHE 14 Ca 0.20 -0.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 1x4u s PHE 14 Cb -0.01 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 1x4u s PHE 14 CO 0.01 -1.50 0.37 0.41 -0.10 0.00 0.00 175.22 174.41 1x4u n GLY 15 N -2.80 0.10 3.07 4.36 0.00 -1.26 -5.03 105.19 103.64 1x4u n GLY 15 Ca 0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.92 0.48 0.56 1.61 0.02 -1.26 -3.72 114.94 109.70 1x4u s ASN 16 Ca 0.18 -0.91 -0.19 0.00 -1.02 0.00 0.00 52.86 50.92 1x4u s ASN 16 Cb -0.08 0.18 -0.07 0.00 0.02 0.00 0.00 41.25 41.30 1x4u s ASN 16 CO 0.23 -0.54 0.80 0.00 0.02 0.00 0.00 177.10 177.61 1x4u n THR 18 N -1.52 2.42 0.05 0.00 -1.04 -0.98 -3.06 114.28 110.16 1x4u n THR 18 Ca 0.12 -1.25 0.00 0.00 -2.04 0.00 0.00 64.05 60.88 1x4u n THR 18 Cb 0.46 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 0.27 -0.10 0.58 3.41 0.00 -1.26 -4.87 105.19 103.21 1x4u n GLY 19 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 0.57 -2.52 -4.22 0.00 7.64 -1.17 -4.96 113.62 108.95 1x4u n SER 21 Ca 0.09 -0.76 -0.38 0.00 1.01 0.00 0.00 58.87 58.84 1x4u n SER 21 Cb 0.40 -4.28 -0.12 0.00 -1.01 0.00 0.00 64.21 59.21 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 -3.51 3.10 0.50 -0.43 0.00 -1.26 -4.78 121.76 115.39 1x4u s ALA 22 Ca 0.19 -2.04 -0.19 0.00 0.00 0.00 0.00 51.96 49.92 1x4u s ALA 22 Cb -0.09 -2.36 -0.12 0.00 0.00 0.00 0.00 23.12 20.55 1x4u s ALA 22 CO 0.80 -1.52 0.32 2.41 0.00 0.00 0.00 175.76 177.77 1x4u n THR 23 N 4.76 1.42 -3.00 0.00 -1.04 -1.26 -3.23 114.28 111.92 1x4u n THR 23 Ca -0.10 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 60.97 1x4u n THR 23 Cb 0.43 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 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 -1.74 3.24 0.10 -1.42 0.40 -1.24 -4.61 117.98 112.71 1x4u s PHE 24 Ca 0.64 -1.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 1x4u s PHE 24 Cb -0.51 -4.19 0.00 0.00 0.51 0.00 0.00 43.02 38.83 1x4u s PHE 24 CO 0.59 -1.40 0.00 0.43 0.70 0.00 0.00 175.22 175.54 1x4u n SER 25 N 6.07 0.11 -4.58 1.36 7.64 -1.26 -4.81 113.62 118.15 1x4u n SER 25 Ca 0.22 0.17 -0.22 0.00 1.01 0.00 0.00 58.87 60.05 1x4u n SER 25 Cb 0.49 0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.68 1x4u n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1x4u s VAL 26 N -2.00 3.30 -1.47 0.44 0.11 -1.26 -4.04 120.40 115.48 1x4u s VAL 26 Ca 0.00 -0.48 -0.12 0.00 -2.93 0.00 0.00 61.98 58.45 1x4u s VAL 26 Cb 0.00 -4.20 0.12 0.00 -1.53 0.00 0.00 36.38 30.76 1x4u s VAL 26 CO 0.00 -0.56 0.29 0.18 -3.33 0.00 0.00 175.10 171.68 1x4u n LEU 27 N 16.74 -0.74 -4.15 2.54 4.77 -1.26 -4.87 117.00 130.02 1x4u n LEU 27 Ca 0.43 -1.06 -0.36 0.00 -0.03 0.00 0.00 56.01 55.00 1x4u n LEU 27 Cb 0.46 -1.34 -0.13 0.00 -2.33 0.00 0.00 43.42 40.09 1x4u n LEU 27 CO 0.63 0.22 -0.26 -0.54 -1.33 0.00 0.00 177.39 176.10 1x4u s LYS 28 N -6.44 2.22 -0.29 3.23 1.02 -1.26 -5.08 119.74 113.15 1x4u s LYS 28 Ca 0.41 -1.53 -0.28 0.00 0.02 0.00 0.00 55.97 54.59 1x4u s LYS 28 Cb -0.24 -3.38 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 1x4u s LYS 28 CO 0.86 -0.84 1.04 0.15 -0.92 0.00 0.00 175.35 175.64 1x4u s LYS 29 N 1.20 4.11 -0.38 1.68 1.02 -1.26 -4.39 119.74 121.72 1x4u s LYS 29 Ca 0.02 1.11 -0.35 0.00 0.02 0.00 0.00 55.97 56.77 1x4u s LYS 29 Cb -0.21 -3.71 -0.12 0.00 -0.52 0.00 0.00 37.83 33.28 1x4u s LYS 29 CO -0.02 -0.80 2.22 -2.13 -0.92 0.00 0.00 175.35 173.70 1x4u n ARG 30 N 6.65 1.03 -2.49 1.68 0.63 -1.26 -4.67 116.66 118.23 1x4u n ARG 30 Ca 0.11 0.26 -0.26 0.00 -0.92 0.00 0.00 57.85 57.04 1x4u n ARG 30 Cb 0.47 -2.47 0.03 0.00 0.45 0.00 0.00 32.46 30.93 1x4u n ARG 30 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x4u s ARG 31 N 6.45 2.99 -0.11 -0.14 0.52 0.31 -4.88 118.95 124.08 1x4u s ARG 31 Ca 1.10 -0.05 0.02 0.00 -0.52 0.00 0.00 55.73 56.28 1x4u s ARG 31 Cb -0.84 -2.32 0.01 0.00 0.52 0.00 0.00 34.95 32.33 1x4u s ARG 31 CO 0.48 -0.61 -0.17 -1.54 0.02 0.00 0.00 175.30 173.48 1x4u s SER 32 N -4.28 2.57 1.01 0.23 1.04 -1.26 -1.38 113.70 111.64 1x4u s SER 32 Ca 0.53 -0.46 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 1x4u s SER 32 Cb -0.10 -1.16 0.20 0.00 0.10 0.00 0.00 66.02 65.05 1x4u s SER 32 CO 0.44 0.03 1.09 0.00 0.98 0.00 0.00 173.24 175.78 1x4u n SER 34 N -4.46 0.50 0.00 0.00 2.88 -1.05 -3.87 113.62 107.63 1x4u n SER 34 Ca 0.07 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1x4u n SER 34 Cb 0.53 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.91 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 -2.70 0.00 0.09 -3.46 5.15 -1.26 -4.54 115.26 108.53 1x4u n ASN 35 Ca -0.30 0.14 -0.00 0.00 -0.60 0.00 0.00 54.58 53.81 1x4u n ASN 35 Cb 1.10 -0.23 0.29 0.00 -0.53 0.00 0.00 39.78 40.41 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 -0.54 0.55 3.90 0.00 0.00 -1.25 -5.01 105.19 102.84 1x4u n GLY 37 Ca -0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 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 4.90 0.05 1.61 0.01 -1.26 -4.68 114.94 112.56 1x4u s ASN 38 Ca 0.10 -0.93 -0.21 0.00 -0.71 0.00 0.00 52.86 51.11 1x4u s ASN 38 Cb -0.04 -0.13 -0.06 0.00 0.41 0.00 0.00 41.25 41.42 1x4u s ASN 38 CO 0.12 -0.89 0.63 -0.44 -1.51 0.00 0.00 177.10 175.01 1x4u s SER 39 N -4.24 7.09 0.20 -1.22 0.01 -1.26 -0.50 113.70 113.78 1x4u s SER 39 Ca 0.45 1.30 -0.12 0.00 1.31 0.00 0.00 55.95 58.89 1x4u s SER 39 Cb -0.03 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 1x4u s SER 39 CO 0.27 0.18 0.39 -0.36 0.41 0.00 0.00 173.24 174.13 1x4u s PHE 40 N -0.67 0.30 0.64 2.43 0.08 -0.48 -2.32 117.98 117.97 1x4u s PHE 40 Ca 0.32 -0.66 -0.09 0.00 0.12 0.00 0.00 56.93 56.62 1x4u s PHE 40 Cb -0.20 0.10 0.14 0.00 -0.57 0.00 0.00 43.02 42.50 1x4u s PHE 40 CO 0.20 -0.85 0.87 0.00 -0.10 0.00 0.00 175.22 175.34 1x4u n SER 42 N -3.46 0.64 -0.03 0.00 3.41 -1.26 -2.61 113.62 110.31 1x4u n SER 42 Ca 0.11 -1.99 -0.03 0.00 -0.26 0.00 0.00 58.87 56.71 1x4u n SER 42 Cb 0.40 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.16 3.09 0.05 4.33 0.63 -1.26 -4.62 116.66 118.72 1x4u n ARG 43 Ca 0.04 -0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.76 1x4u n ARG 43 Cb 0.10 -1.13 -0.15 0.00 0.45 0.00 0.00 32.46 31.74 1x4u n ARG 43 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1x4u n SER 46 N 0.40 4.99 -4.17 0.00 2.88 -1.24 -4.54 113.62 111.94 1x4u n SER 46 Ca 0.37 -3.77 -0.32 0.00 -1.33 0.00 0.00 58.87 53.82 1x4u n SER 46 Cb 0.58 -0.44 -0.16 0.00 -0.75 0.00 0.00 64.21 63.43 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 2.67 -0.32 0.66 0.40 -1.17 -4.99 117.98 111.64 1x4u s PHE 47 Ca 0.52 -1.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.33 1x4u s PHE 47 Cb 0.42 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 1x4u s PHE 47 CO 0.03 -0.60 0.54 0.15 0.70 0.00 0.00 175.22 176.03 1x4u s LYS 48 N 0.80 3.81 0.05 0.44 1.02 -1.26 -0.76 119.74 123.84 1x4u s LYS 48 Ca -0.07 0.08 0.04 0.00 0.02 0.00 0.00 55.97 56.03 1x4u s LYS 48 Cb -0.16 -3.75 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 1x4u s LYS 48 CO -0.01 -0.54 -0.11 0.14 -0.92 0.00 0.00 175.35 173.90 1x4u s VAL 49 N 2.43 0.80 0.01 3.17 -7.23 0.32 -4.90 120.40 115.00 1x4u s VAL 49 Ca 0.21 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.94 1x4u s VAL 49 Cb -0.15 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 35.92 1x4u s VAL 49 CO 0.12 -0.27 1.44 -2.16 -0.31 0.00 0.00 175.10 173.92 1x4u s PRO 50 N -1.56 4.27 0.16 4.82 0.04 -1.26 -0.35 135.00 141.12 1x4u s PRO 50 Ca -0.06 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 1x4u s PRO 50 Cb -0.10 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1x4u s PRO 50 CO 0.01 -0.60 1.39 1.57 0.04 0.00 0.00 177.00 179.41 1x4u h LYS 51 N 7.93 0.45 -0.48 4.56 2.10 -1.92 -3.28 116.57 125.94 1x4u h LYS 51 Ca -0.38 -0.39 0.10 0.00 -2.00 0.00 0.00 60.65 57.97 1x4u h LYS 51 Cb 1.18 0.09 -0.10 0.00 -0.90 0.00 0.00 32.23 32.50 1x4u h LYS 51 CO 0.91 1.03 -0.21 1.03 -2.00 0.00 0.00 179.45 180.21 1x4u h SER 52 N 0.30 -0.73 -0.90 7.07 0.87 -1.84 0.02 113.55 118.34 1x4u h SER 52 Ca -0.04 0.17 0.25 0.00 -1.23 0.00 0.00 61.79 60.94 1x4u h SER 52 Cb 1.37 0.40 -0.14 0.00 -0.44 0.00 0.00 62.40 63.59 1x4u h SER 52 CO 0.14 -0.24 0.30 0.28 -0.53 0.00 0.00 176.83 176.78 1x4u h SER 53 N -0.11 0.11 -1.38 6.23 0.02 -1.88 -3.34 113.55 113.20 1x4u h SER 53 Ca 0.22 0.19 -0.39 0.00 -0.84 0.00 0.00 61.79 60.98 1x4u h SER 53 Cb 0.46 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1x4u h SER 53 CO -0.54 -0.14 1.06 -0.04 -1.14 0.00 0.00 176.83 176.03 1x4u s MET 54 N -5.88 2.50 0.47 3.45 -1.94 -0.01 -4.63 119.30 113.26 1x4u s MET 54 Ca -0.12 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1x4u s MET 54 Cb 0.27 -4.68 0.00 0.00 2.01 0.00 0.00 34.83 32.42 1x4u s MET 54 CO 0.78 -3.12 0.00 0.41 -0.01 0.00 0.00 175.02 173.08 1x4u n GLY 55 N 6.23 -4.74 3.61 -0.03 0.00 -1.25 -4.89 105.19 104.11 1x4u n GLY 55 Ca 0.31 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1x4u n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4u n ALA 56 N -0.48 -0.93 -3.77 4.61 0.00 -1.26 -4.82 120.51 113.86 1x4u n ALA 56 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.95 1x4u n ALA 56 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 1x4u n ALA 56 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1x4u s THR 57 N -2.33 0.00 1.02 0.00 -1.32 -1.26 -5.12 115.64 106.63 1x4u s THR 57 Ca 0.67 -0.64 -0.18 0.00 -1.21 0.00 0.00 61.69 60.34 1x4u s THR 57 Cb -0.26 -2.12 -0.01 0.00 -1.51 0.00 0.00 72.50 68.60 1x4u s THR 57 CO 0.57 0.00 -0.23 0.00 -2.21 0.00 0.00 174.62 172.75 1x4u n ALA 58 N -0.50 -4.09 0.98 11.08 0.00 -1.26 -4.79 120.51 121.93 1x4u n ALA 58 Ca -0.06 -0.95 0.07 0.00 0.00 0.00 0.00 53.44 52.50 1x4u n ALA 58 Cb 0.61 -1.45 0.42 0.00 0.00 0.00 0.00 19.45 19.03 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 -0.44 0.49 -0.03 0.00 -0.04 -1.26 -3.17 135.00 130.55 1x4u n PRO 59 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1x4u n PRO 59 Cb 0.60 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1x4u n PRO 59 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x4u h GLU 60 N 0.00 -0.02 -4.17 0.54 5.08 -2.06 -3.38 114.58 110.57 1x4u h GLU 60 Ca 0.00 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.59 1x4u h GLU 60 Cb 0.00 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.02 1x4u h GLU 60 CO 0.00 0.65 0.84 0.00 -1.00 0.00 0.00 179.01 179.50 1x4u s ALA 61 N -3.45 4.31 0.00 3.43 0.00 -1.19 -4.63 121.76 120.23 1x4u s ALA 61 Ca -0.17 -3.55 0.00 0.00 0.00 0.00 0.00 51.96 48.24 1x4u s ALA 61 Cb -0.00 -3.83 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1x4u s ALA 61 CO 0.66 -2.49 0.00 1.04 0.00 0.00 0.00 175.76 174.97 1x4u n GLN 62 N 4.25 0.00 -1.96 0.00 6.02 -1.26 -4.02 117.38 120.41 1x4u n GLN 62 Ca 0.29 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.97 1x4u n GLN 62 Cb 0.42 -0.50 0.03 0.00 1.02 0.00 0.00 30.24 31.21 1x4u n GLN 62 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1x4u n ARG 63 N -3.00 3.18 -4.07 -1.09 3.00 -1.26 -4.68 116.66 108.75 1x4u n ARG 63 Ca 0.00 -3.92 -0.22 0.00 -0.00 0.00 0.00 57.85 53.70 1x4u n ARG 63 Cb 0.50 -2.27 -0.04 0.00 0.00 0.00 0.00 32.46 30.64 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 -3.73 3.08 -0.08 -0.14 2.56 -1.26 -5.11 118.70 114.01 1x4u s GLU 64 Ca 0.54 -0.93 -0.00 0.00 0.00 0.00 0.00 54.97 54.57 1x4u s GLU 64 Cb 0.44 -2.67 0.02 0.00 2.00 0.00 0.00 34.13 33.92 1x4u s GLU 64 CO -0.12 0.43 -0.05 0.95 -0.56 0.00 0.00 175.26 175.91 1x4u s THR 65 N -2.03 0.70 0.41 -1.70 -4.23 -1.26 -3.68 115.64 103.86 1x4u s THR 65 Ca 0.33 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.79 1x4u s THR 65 Cb -0.09 -0.76 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 1x4u s THR 65 CO 0.26 0.30 0.18 0.68 -0.54 0.00 0.00 174.62 175.50 1x4u s VAL 66 N 1.56 2.30 -0.19 2.29 -7.23 0.53 -4.86 120.40 114.80 1x4u s VAL 66 Ca 0.00 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 1x4u s VAL 66 Cb -0.13 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 1x4u s VAL 66 CO -0.04 0.00 0.12 -0.36 -0.31 0.00 0.00 175.10 174.51 1x4u s PHE 67 N -2.60 3.41 0.22 2.82 0.08 -1.26 -0.52 117.98 120.13 1x4u s PHE 67 Ca 0.41 0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.80 1x4u s PHE 67 Cb 0.04 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1x4u s PHE 67 CO 0.23 0.32 0.02 0.14 -0.10 0.00 0.00 175.22 175.83 1x4u s VAL 68 N 0.22 0.83 0.19 -0.44 -7.23 0.06 -2.53 120.40 111.49 1x4u s VAL 68 Ca 0.08 -2.01 -0.20 0.00 -1.81 0.00 0.00 61.98 58.04 1x4u s VAL 68 Cb -0.11 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.40 1x4u s VAL 68 CO -0.01 -0.29 0.70 0.00 -0.31 0.00 0.00 175.10 175.19 1x4u n ALA 70 N 0.98 -0.10 -0.33 0.00 0.00 0.05 0.11 120.51 121.22 1x4u n ALA 70 Ca -0.04 0.94 0.27 0.00 0.00 0.00 0.00 53.44 54.61 1x4u n ALA 70 Cb 0.51 -0.42 0.52 0.00 0.00 0.00 0.00 19.45 20.05 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 0.35 0.00 0.00 0.87 -1.93 -0.16 113.55 112.68 1x4u h SER 71 Ca 0.33 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1x4u h SER 71 Cb 0.56 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1x4u h SER 71 CO -0.93 -0.30 -0.13 0.00 -0.53 0.00 0.00 176.83 174.94 1x4u n ASN 73 N -4.45 0.21 -0.04 0.00 5.15 -0.04 0.23 115.26 116.32 1x4u n ASN 73 Ca -0.02 1.20 -0.15 0.00 -0.60 0.00 0.00 54.58 55.01 1x4u n ASN 73 Cb 0.07 -0.59 -0.08 0.00 -0.53 0.00 0.00 39.78 38.65 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 0.49 -0.33 1.20 4.20 -1.18 -2.26 115.11 117.23 1x4u h GLN 74 Ca 0.70 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.99 1x4u h GLN 74 Cb 2.08 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.91 1x4u h GLN 74 CO -0.47 0.98 -0.02 1.15 -0.67 0.00 0.00 178.83 179.79 1x4u h THR 75 N 0.09 1.26 0.34 -0.54 2.02 0.30 0.20 112.91 116.59 1x4u h THR 75 Ca -0.01 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1x4u h THR 75 Cb 1.02 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1x4u h THR 75 CO 0.08 0.33 -0.16 -0.07 0.37 0.00 0.00 175.52 176.07 1x4u h LEU 76 N 0.40 -0.39 -0.55 2.58 3.38 -0.61 -2.00 115.31 118.12 1x4u h LEU 76 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1x4u h LEU 76 Cb 0.49 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1x4u h LEU 76 CO 0.02 -0.26 0.30 -1.28 0.09 0.00 0.00 178.44 177.31 1x4u h SER 77 N -0.49 0.69 -0.61 -0.43 0.87 -1.42 -2.79 113.55 109.38 1x4u h SER 77 Ca -0.05 -0.10 0.11 0.00 -1.23 0.00 0.00 61.79 60.53 1x4u h SER 77 Cb 0.37 -0.18 -0.08 0.00 -0.44 0.00 0.00 62.40 62.07 1x4u h SER 77 CO 0.08 0.59 0.16 0.50 -0.53 0.00 0.00 176.83 177.63 1x4u h LYS 78 N 0.74 0.29 -3.78 2.24 3.64 -0.81 -3.46 116.57 115.42 1x4u h LYS 78 Ca 0.19 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.34 1x4u h LYS 78 Cb 0.05 -0.07 0.08 0.00 -0.41 0.00 0.00 32.23 31.89 1x4u h LYS 78 CO -0.03 0.19 -0.39 0.45 -2.27 0.00 0.00 179.45 177.40 1x4u n SER 79 N -5.09 -3.82 -3.70 4.20 2.88 -0.76 -5.01 113.62 102.31 1x4u n SER 79 Ca 0.09 -0.31 -0.29 0.00 -1.33 0.00 0.00 58.87 57.02 1x4u n SER 79 Cb 0.32 -3.04 -0.13 0.00 -0.75 0.00 0.00 64.21 60.61 1x4u n SER 79 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x4u s GLY 80 N -3.33 1.60 -0.63 0.46 0.00 -1.26 -5.08 107.32 99.09 1x4u s GLY 80 Ca 0.24 -2.52 -0.26 0.00 0.00 0.00 0.00 44.72 42.18 1x4u s GLY 80 CO 0.41 1.58 1.87 2.56 0.00 0.00 0.00 173.10 179.51 1x4u s PRO 81 N 0.45 2.62 0.17 2.90 0.04 -1.26 -4.87 135.00 135.04 1x4u s PRO 81 Ca 0.17 0.57 -0.18 0.00 0.04 0.00 0.00 61.00 61.60 1x4u s PRO 81 Cb -0.24 -4.42 0.09 0.00 0.04 0.00 0.00 34.50 29.97 1x4u s PRO 81 CO -0.00 -2.77 1.66 0.66 0.04 0.00 0.00 177.00 176.59 1x4u h SER 82 N 14.80 -0.44 -4.38 6.66 4.64 -2.00 -3.42 113.55 129.41 1x4u h SER 82 Ca -0.24 0.13 -0.33 0.00 -0.47 0.00 0.00 61.79 60.88 1x4u h SER 82 Cb 1.15 0.27 -0.18 0.00 -0.31 0.00 0.00 62.40 63.34 1x4u h SER 82 CO 1.22 -0.16 -0.74 -0.55 -0.87 0.00 0.00 176.83 175.74 1x4u s SER 83 N -5.19 1.47 0.00 4.97 0.15 -1.26 -5.34 113.70 108.50 1x4u s SER 83 Ca -0.14 -0.80 0.09 0.00 0.70 0.00 0.00 55.95 55.80 1x4u s SER 83 Cb 0.14 0.00 0.07 0.00 -1.71 0.00 0.00 66.02 64.52 1x4u s SER 83 CO 0.71 -0.25 0.77 0.61 1.20 0.00 0.00 173.24 176.28