#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.54 -1.28 6.12 0.02 -2.15 -3.39 113.55 113.41 2kb4 h SER 2 Ca 0.00 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2kb4 h SER 2 Cb 0.00 0.01 -0.24 0.00 0.14 0.00 0.00 62.40 62.32 2kb4 h SER 2 CO 0.00 0.21 -0.35 -0.62 -1.14 0.00 0.00 176.83 174.93 2kb4 s ASP 3 N -5.40 -0.88 -0.01 3.07 2.15 -1.26 -5.15 116.67 109.19 2kb4 s ASP 3 Ca -0.12 0.61 -0.02 0.00 0.43 0.00 0.00 52.55 53.45 2kb4 s ASP 3 Cb 0.22 1.83 0.00 0.00 -0.30 0.00 0.00 42.92 44.67 2kb4 s ASP 3 CO 0.78 -0.28 0.04 0.21 -0.17 0.00 0.00 175.17 175.76 2kb4 s ASN 4 N 2.76 -0.01 -0.20 -0.34 2.47 -1.26 -5.13 114.94 113.22 2kb4 s ASN 4 Ca 0.18 0.01 -0.12 0.00 0.42 0.00 0.00 52.86 53.34 2kb4 s ASN 4 Cb -0.15 0.10 0.06 0.00 -1.45 0.00 0.00 41.25 39.82 2kb4 s ASN 4 CO -0.20 -0.07 0.50 0.21 -3.72 0.00 0.00 177.10 173.82 2kb4 s ASN 5 N -0.22 -0.64 -1.20 -4.21 2.47 -1.26 -5.06 114.94 104.82 2kb4 s ASN 5 Ca -0.03 1.08 -0.22 0.00 0.42 0.00 0.00 52.86 54.12 2kb4 s ASN 5 Cb -0.02 0.97 -0.05 0.00 -1.45 0.00 0.00 41.25 40.70 2kb4 s ASN 5 CO 0.00 -0.21 1.89 -0.83 -3.72 0.00 0.00 177.10 174.24 2kb4 s GLY 6 N 1.37 0.47 -0.11 1.21 0.00 -1.26 -4.92 107.32 104.08 2kb4 s GLY 6 Ca -0.09 -2.30 -0.30 0.00 0.00 0.00 0.00 44.72 42.04 2kb4 s GLY 6 CO -0.14 3.39 1.07 -1.59 0.00 0.00 0.00 173.10 175.83 2kb4 s THR 7 N 9.63 4.62 0.23 0.90 2.01 -1.26 -5.00 115.64 126.78 2kb4 s THR 7 Ca 0.65 1.91 -0.30 0.00 0.31 0.00 0.00 61.69 64.26 2kb4 s THR 7 Cb 0.00 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 68.19 2kb4 s THR 7 CO 0.12 -0.02 1.41 -2.84 -0.69 0.00 0.00 174.62 172.60 2kb4 s PRO 8 N 2.26 4.30 0.19 4.92 0.02 -1.26 -4.98 135.00 140.45 2kb4 s PRO 8 Ca 0.50 2.24 -0.30 0.00 0.02 0.00 0.00 61.00 63.46 2kb4 s PRO 8 Cb -0.20 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.11 2kb4 s PRO 8 CO 0.17 -0.38 1.17 -1.83 -0.33 0.00 0.00 177.00 175.80 2kb4 s GLU 9 N -0.27 4.52 0.06 5.54 4.04 -1.26 -4.94 118.70 126.40 2kb4 s GLU 9 Ca 0.59 1.85 -0.30 0.00 0.04 0.00 0.00 54.97 57.14 2kb4 s GLU 9 Cb -0.41 -3.24 -0.09 0.00 0.02 0.00 0.00 34.13 30.41 2kb4 s GLU 9 CO 0.42 -0.03 1.93 -2.14 -1.84 0.00 0.00 175.26 173.59 2kb4 s PRO 10 N -0.40 4.14 -0.51 -4.83 0.02 -1.26 -4.91 135.00 127.25 2kb4 s PRO 10 Ca 0.51 2.61 -0.29 0.00 0.02 0.00 0.00 61.00 63.86 2kb4 s PRO 10 Cb -0.32 -3.99 0.03 0.00 0.02 0.00 0.00 34.50 30.24 2kb4 s PRO 10 CO 0.37 -0.92 1.18 -0.65 -0.33 0.00 0.00 177.00 176.65 2kb4 s GLN 11 N 3.93 3.63 0.10 5.54 -0.21 -1.26 -4.95 119.66 126.44 2kb4 s GLN 11 Ca 0.86 0.47 -0.31 0.00 0.02 0.00 0.00 55.36 56.40 2kb4 s GLN 11 Cb -0.44 -3.96 -0.09 0.00 1.00 0.00 0.00 33.01 29.52 2kb4 s GLN 11 CO 0.40 -1.52 1.66 0.14 -2.12 0.00 0.00 175.29 173.86 2kb4 s VAL 12 N 4.74 2.86 0.12 1.09 -7.23 -1.26 -4.97 120.40 115.74 2kb4 s VAL 12 Ca 0.47 0.40 -0.20 0.00 -1.81 0.00 0.00 61.98 60.85 2kb4 s VAL 12 Cb -0.08 -3.26 -0.07 0.00 0.56 0.00 0.00 36.38 33.53 2kb4 s VAL 12 CO 0.30 0.01 0.62 -0.70 -0.31 0.00 0.00 175.10 175.01 2kb4 s GLU 13 N 2.34 4.24 0.00 4.82 2.56 -1.26 -5.07 118.70 126.33 2kb4 s GLU 13 Ca 0.74 0.80 0.01 0.00 0.00 0.00 0.00 54.97 56.51 2kb4 s GLU 13 Cb -0.42 -3.16 -0.00 0.00 2.00 0.00 0.00 34.13 32.55 2kb4 s GLU 13 CO 0.33 0.58 -0.02 -0.08 -0.56 0.00 0.00 175.26 175.50 2kb4 s THR 14 N -1.21 0.16 -0.21 -1.70 -1.32 -1.26 -5.13 115.64 104.97 2kb4 s THR 14 Ca 0.33 -0.23 -0.07 0.00 -1.21 0.00 0.00 61.69 60.50 2kb4 s THR 14 Cb -0.19 -0.17 -0.03 0.00 -1.51 0.00 0.00 72.50 70.59 2kb4 s THR 14 CO 0.20 -0.05 0.06 0.28 -2.21 0.00 0.00 174.62 172.91 2kb4 s THR 15 N -0.29 4.50 -0.33 5.08 -1.32 -1.26 -5.03 115.64 116.98 2kb4 s THR 15 Ca -0.02 -0.12 -0.00 0.00 -1.21 0.00 0.00 61.69 60.34 2kb4 s THR 15 Cb -0.02 -3.06 0.14 0.00 -1.51 0.00 0.00 72.50 68.04 2kb4 s THR 15 CO -0.00 0.40 0.25 -0.44 -2.21 0.00 0.00 174.62 172.61 2kb4 s SER 16 N 1.00 2.45 -0.23 8.08 0.01 -1.26 -5.10 113.70 118.65 2kb4 s SER 16 Ca 0.04 -1.65 -0.19 0.00 1.31 0.00 0.00 55.95 55.46 2kb4 s SER 16 Cb -0.14 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.13 2kb4 s SER 16 CO 0.03 -0.33 0.59 0.54 0.41 0.00 0.00 173.24 174.48 2kb4 s VAL 17 N 1.55 -0.00 0.18 3.43 0.11 -1.26 -5.17 120.40 119.24 2kb4 s VAL 17 Ca 0.15 0.01 -0.23 0.00 -2.93 0.00 0.00 61.98 58.98 2kb4 s VAL 17 Cb -0.18 -0.84 0.07 0.00 -1.53 0.00 0.00 36.38 33.90 2kb4 s VAL 17 CO -0.13 0.00 0.99 0.72 -3.33 0.00 0.00 175.10 173.36 2kb4 s PHE 18 N 0.66 -0.01 -0.37 1.54 -0.71 -1.26 -5.13 117.98 112.70 2kb4 s PHE 18 Ca -0.03 -0.37 -0.12 0.00 -1.04 0.00 0.00 56.93 55.38 2kb4 s PHE 18 Cb -0.05 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.46 2kb4 s PHE 18 CO -0.04 -0.93 0.22 1.03 -1.34 0.00 0.00 175.22 174.17 2kb4 s ARG 19 N -2.66 2.99 -0.15 1.99 0.52 -1.26 -4.91 118.95 115.47 2kb4 s ARG 19 Ca 0.17 -0.98 0.15 0.00 -0.52 0.00 0.00 55.73 54.56 2kb4 s ARG 19 Cb -0.02 -3.77 0.53 0.00 0.52 0.00 0.00 34.95 32.20 2kb4 s ARG 19 CO 0.04 -0.65 1.44 0.00 0.02 0.00 0.00 175.30 176.15 2kb4 n ALA 20 N 5.04 2.94 0.13 2.13 0.00 -1.26 -4.66 120.51 124.83 2kb4 n ALA 20 Ca -0.12 -2.03 -0.12 0.00 0.00 0.00 0.00 53.44 51.17 2kb4 n ALA 20 Cb 0.47 -0.72 -0.08 0.00 0.00 0.00 0.00 19.45 19.12 2kb4 n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kb4 h ASP 21 N 2.18 -0.31 -5.53 0.00 5.19 -2.07 -3.49 116.42 112.39 2kb4 h ASP 21 Ca 0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 2kb4 h ASP 21 Cb 1.37 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.93 2kb4 h ASP 21 CO 0.21 0.12 -1.02 -0.11 -3.12 0.00 0.00 179.24 175.32 2kb4 n LEU 22 N -5.07 -6.21 -4.60 1.55 -0.00 -1.26 -4.82 117.00 96.58 2kb4 n LEU 22 Ca -0.09 1.31 -0.43 0.00 -0.00 0.00 0.00 56.01 56.81 2kb4 n LEU 22 Cb 0.26 -2.72 -0.02 0.00 -0.00 0.00 0.00 43.42 40.94 2kb4 n LEU 22 CO 0.28 -2.92 1.39 -0.76 -0.00 0.00 0.00 177.39 175.38 2kb4 s LEU 23 N -1.12 3.55 0.00 -1.96 1.43 -1.26 -4.93 118.68 114.40 2kb4 s LEU 23 Ca -0.06 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 2kb4 s LEU 23 Cb 0.00 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.69 2kb4 s LEU 23 CO 0.51 -1.57 0.15 2.29 0.23 0.00 0.00 176.35 177.97 2kb4 n LYS 24 N 8.25 0.22 -2.79 1.70 0.00 -1.26 -5.14 118.16 119.13 2kb4 n LYS 24 Ca 0.20 -1.19 -0.33 0.00 -0.00 0.00 0.00 58.31 56.99 2kb4 n LYS 24 Cb 0.47 1.06 -0.06 0.00 -0.00 0.00 0.00 35.03 36.50 2kb4 n LYS 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2kb4 s GLU 25 N -2.42 4.17 0.93 -1.58 2.56 -1.26 -5.03 118.70 116.07 2kb4 s GLU 25 Ca 0.13 1.05 -0.11 0.00 0.00 0.00 0.00 54.97 56.04 2kb4 s GLU 25 Cb 0.00 -2.20 0.15 0.00 2.00 0.00 0.00 34.13 34.08 2kb4 s GLU 25 CO 0.10 -0.05 1.09 0.00 -0.56 0.00 0.00 175.26 175.84 2kb4 s MET 26 N -3.29 0.95 -0.89 4.30 0.23 -1.26 -4.93 119.30 114.41 2kb4 s MET 26 Ca 0.61 0.93 -0.22 0.00 -1.03 0.00 0.00 55.69 55.98 2kb4 s MET 26 Cb -0.09 -1.76 0.07 0.00 -1.53 0.00 0.00 34.83 31.52 2kb4 s MET 26 CO 0.16 -2.48 1.26 -2.00 -2.03 0.00 0.00 175.02 169.92 2kb4 s GLU 27 N -4.83 3.45 0.07 3.16 2.56 -1.26 -4.77 118.70 117.08 2kb4 s GLU 27 Ca 0.64 -1.11 -0.01 0.00 0.00 0.00 0.00 54.97 54.49 2kb4 s GLU 27 Cb -0.20 -4.86 -0.27 0.00 2.00 0.00 0.00 34.13 30.80 2kb4 s GLU 27 CO 0.58 -2.02 1.12 0.77 -0.56 0.00 0.00 175.26 175.15 2kb4 h SER 28 N 9.53 0.32 -4.17 -1.70 0.02 -1.92 -3.50 113.55 112.14 2kb4 h SER 28 Ca 0.03 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2kb4 h SER 28 Cb 1.03 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2kb4 h SER 28 CO 1.28 1.29 -0.68 -1.20 -1.14 0.00 0.00 176.83 176.37 2kb4 n SER 29 N -3.47 -7.22 -4.80 3.07 7.64 -1.26 -4.98 113.62 102.59 2kb4 n SER 29 Ca -0.08 1.25 -0.36 0.00 1.01 0.00 0.00 58.87 60.69 2kb4 n SER 29 Cb 1.01 -3.92 -0.06 0.00 -1.01 0.00 0.00 64.21 60.23 2kb4 n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2kb4 s THR 30 N -0.41 4.39 -0.94 0.44 -1.32 -1.26 -5.00 115.64 111.55 2kb4 s THR 30 Ca 0.00 1.53 -0.12 0.00 -1.21 0.00 0.00 61.69 61.90 2kb4 s THR 30 Cb 0.00 -3.88 0.24 0.00 -1.51 0.00 0.00 72.50 67.36 2kb4 s THR 30 CO 0.00 0.08 0.90 -0.83 -2.21 0.00 0.00 174.62 172.55 2kb4 s GLY 31 N -1.75 2.90 -0.15 6.08 0.00 -1.26 -5.01 107.32 108.13 2kb4 s GLY 31 Ca 0.50 -3.54 -0.29 0.00 0.00 0.00 0.00 44.72 41.38 2kb4 s GLY 31 CO 0.21 1.28 1.47 -1.59 0.00 0.00 0.00 173.10 174.47 2kb4 s THR 32 N -0.45 3.92 0.21 0.90 2.01 -1.26 -4.98 115.64 115.99 2kb4 s THR 32 Ca 0.23 1.09 -0.27 0.00 0.31 0.00 0.00 61.69 63.05 2kb4 s THR 32 Cb -0.10 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 2kb4 s THR 32 CO -0.09 -0.16 0.86 0.00 -0.69 0.00 0.00 174.62 174.54 2kb4 s ALA 33 N 4.06 3.38 0.46 7.40 0.00 -1.26 -5.01 121.76 130.80 2kb4 s ALA 33 Ca 0.64 0.49 -0.22 0.00 0.00 0.00 0.00 51.96 52.87 2kb4 s ALA 33 Cb -0.26 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.67 2kb4 s ALA 33 CO 0.23 0.25 0.76 -2.30 0.00 0.00 0.00 175.76 174.70 2kb4 n PRO 34 N 1.44 0.88 0.00 0.00 -0.02 -1.26 -1.85 135.00 134.19 2kb4 n PRO 34 Ca -0.03 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2kb4 n PRO 34 Cb 0.48 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2kb4 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb4 n ALA 35 N -0.95 0.00 -2.55 3.55 0.00 -1.26 -4.97 120.51 114.34 2kb4 n ALA 35 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 2kb4 n ALA 35 Cb 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 2kb4 n ALA 35 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kb4 s SER 36 N -2.43 6.24 0.09 0.00 0.01 -0.77 -4.98 113.70 111.86 2kb4 s SER 36 Ca 0.00 -0.62 -0.27 0.00 1.31 0.00 0.00 55.95 56.37 2kb4 s SER 36 Cb 0.00 -2.27 0.08 0.00 0.21 0.00 0.00 66.02 64.05 2kb4 s SER 36 CO 0.00 -0.70 1.08 0.28 0.41 0.00 0.00 173.24 174.31 2kb4 s THR 37 N 2.44 0.00 0.00 1.44 -1.32 -1.26 -4.72 115.64 112.22 2kb4 s THR 37 Ca 0.16 -0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 2kb4 s THR 37 Cb -0.17 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.76 2kb4 s THR 37 CO 0.15 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 2kb4 n GLY 38 N -0.50 0.12 0.18 6.08 0.00 -1.26 -4.38 105.19 105.43 2kb4 n GLY 38 Ca -0.07 0.18 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.00 0.95 0.00 4.61 0.00 -1.88 -1.90 119.26 121.05 2kb4 h ALA 39 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kb4 h ALA 39 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kb4 h ALA 39 CO 0.00 0.67 -0.22 -0.85 0.00 0.00 0.00 179.25 178.85 2kb4 n GLU 40 N -3.94 0.11 0.15 0.00 0.00 -1.25 -3.11 120.64 112.60 2kb4 n GLU 40 Ca -0.02 0.07 0.12 0.00 0.00 0.00 0.00 57.16 57.33 2kb4 n GLU 40 Cb 0.56 -1.60 0.19 0.00 0.00 0.00 0.00 31.44 30.58 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2kb4 h ASN 41 N 0.00 0.00 -3.40 -1.84 2.35 -1.72 -3.41 115.58 107.56 2kb4 h ASN 41 Ca 0.00 -0.03 -0.71 0.00 -0.55 0.00 0.00 56.30 55.01 2kb4 h ASN 41 Cb 0.60 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 38.65 2kb4 h ASN 41 CO 0.00 0.02 -0.47 -0.76 -1.65 0.00 0.00 177.43 174.56 2kb4 s LEU 42 N -5.35 5.44 0.33 1.61 2.01 -1.13 -4.93 118.68 116.66 2kb4 s LEU 42 Ca 0.06 -1.93 0.05 0.00 0.01 0.00 0.00 54.13 52.32 2kb4 s LEU 42 Cb 0.09 -1.92 0.59 0.00 0.01 0.00 0.00 46.19 44.95 2kb4 s LEU 42 CO 0.69 -0.61 1.83 1.55 1.01 0.00 0.00 176.35 180.82 2kb4 h PRO 43 N 8.26 0.43 -2.70 1.29 0.13 -1.80 -3.39 132.00 134.21 2kb4 h PRO 43 Ca -0.18 -0.12 -0.39 0.00 -0.87 0.00 0.00 66.00 64.45 2kb4 h PRO 43 Cb 1.06 -0.05 -0.38 0.00 0.13 0.00 0.00 31.00 31.76 2kb4 h PRO 43 CO 0.78 0.55 -0.68 0.00 -0.23 0.00 0.00 178.00 178.41 2kb4 s ALA 44 N -4.74 0.03 0.00 -0.56 0.00 -1.26 -4.86 121.76 110.37 2kb4 s ALA 44 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.79 2kb4 s ALA 44 Cb 0.15 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 22.00 2kb4 s ALA 44 CO 0.76 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2kb4 n GLY 45 N 5.30 0.00 3.88 0.00 0.00 -1.26 -4.96 105.19 108.15 2kb4 n GLY 45 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N 0.00 6.55 0.62 1.61 0.01 -1.26 -5.09 113.70 116.15 2kb4 s SER 46 Ca 0.00 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.27 2kb4 s SER 46 Cb 0.00 -2.24 0.10 0.00 0.21 0.00 0.00 66.02 64.09 2kb4 s SER 46 CO 0.00 -0.21 0.86 0.00 0.41 0.00 0.00 173.24 174.30 2kb4 s ALA 47 N -2.06 4.42 0.10 1.44 0.00 -1.26 -4.81 121.76 119.60 2kb4 s ALA 47 Ca 0.48 -2.04 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2kb4 s ALA 47 Cb -0.11 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.36 2kb4 s ALA 47 CO 0.26 -1.05 -0.08 -0.48 0.00 0.00 0.00 175.76 174.40 2kb4 s LEU 48 N -4.81 2.47 -0.01 0.00 2.34 -0.52 -1.42 118.68 116.72 2kb4 s LEU 48 Ca 0.63 -0.92 0.08 0.00 0.06 0.00 0.00 54.13 53.98 2kb4 s LEU 48 Cb -0.05 -0.20 -0.02 0.00 -0.56 0.00 0.00 46.19 45.36 2kb4 s LEU 48 CO 0.41 -0.36 -0.24 -1.48 -1.06 0.00 0.00 176.35 173.61 2kb4 s LEU 49 N -2.80 2.05 -0.05 1.48 0.05 0.47 -0.18 118.68 119.70 2kb4 s LEU 49 Ca 0.10 -0.45 0.04 0.00 0.05 0.00 0.00 54.13 53.87 2kb4 s LEU 49 Cb 0.01 -1.25 -0.02 0.00 -2.05 0.00 0.00 46.19 42.88 2kb4 s LEU 49 CO -0.02 0.29 -0.17 0.68 -0.55 0.00 0.00 176.35 176.59 2kb4 s VAL 50 N -0.58 2.82 -0.34 1.48 -7.23 0.24 -0.28 120.40 116.51 2kb4 s VAL 50 Ca 0.09 -0.80 -0.18 0.00 -1.81 0.00 0.00 61.98 59.28 2kb4 s VAL 50 Cb -0.09 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 2kb4 s VAL 50 CO -0.01 0.58 0.51 -0.69 -0.31 0.00 0.00 175.10 175.18 2kb4 s VAL 51 N -0.55 5.03 -0.06 1.32 1.01 0.08 -1.23 120.40 125.99 2kb4 s VAL 51 Ca 0.08 0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 2kb4 s VAL 51 Cb -0.11 -3.94 -0.26 0.00 0.00 0.00 0.00 36.38 32.07 2kb4 s VAL 51 CO 0.01 -0.17 0.58 0.11 0.00 0.00 0.00 175.10 175.63 2kb4 h LYS 52 N 8.40 0.19 -2.72 2.72 1.79 -1.70 -3.30 116.57 121.96 2kb4 h LYS 52 Ca -0.28 -0.33 -0.15 0.00 -2.18 0.00 0.00 60.65 57.71 2kb4 h LYS 52 Cb 1.13 0.12 -0.29 0.00 -1.58 0.00 0.00 32.23 31.62 2kb4 h LYS 52 CO 0.76 1.00 -0.40 0.50 -1.08 0.00 0.00 179.45 180.23 2kb4 s ARG 53 N -2.58 0.29 0.00 3.15 3.52 -1.14 -4.99 118.95 117.19 2kb4 s ARG 53 Ca -0.14 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 56.26 2kb4 s ARG 53 Cb 0.07 0.05 0.00 0.00 -1.56 0.00 0.00 34.95 33.51 2kb4 s ARG 53 CO 0.81 -0.21 0.00 0.41 -0.81 0.00 0.00 175.30 175.50 2kb4 n GLY 54 N 4.76 2.97 0.00 8.12 0.00 -1.26 -2.37 105.19 117.41 2kb4 n GLY 54 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N 0.00 0.00 -0.32 1.61 -0.02 -1.26 -2.30 135.00 132.71 2kb4 n PRO 55 Ca 0.00 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 61.98 2kb4 n PRO 55 Cb 0.00 -1.59 0.37 0.00 -0.02 0.00 0.00 33.50 32.26 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kb4 h ASN 56 N 0.00 0.69 0.00 2.55 -1.24 -1.92 -3.33 115.58 112.32 2kb4 h ASN 56 Ca 0.00 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2kb4 h ASN 56 Cb 0.19 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.19 2kb4 h ASN 56 CO 0.00 0.27 0.00 0.00 -1.29 0.00 0.00 177.43 176.41 2kb4 n ALA 57 N -2.39 0.00 -1.83 1.57 0.00 -0.97 -4.37 120.51 112.51 2kb4 n ALA 57 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kb4 n ALA 57 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -1.04 0.61 0.56 0.00 0.00 -1.22 -5.01 105.19 99.09 2kb4 n GLY 58 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -1.26 -0.17 -2.59 4.61 0.00 -1.24 -4.90 120.51 114.95 2kb4 n ALA 59 Ca -0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 53.44 52.87 2kb4 n ALA 59 Cb 0.50 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 20.02 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -2.07 2.76 -0.08 0.00 1.70 -1.26 -0.74 118.95 119.25 2kb4 s ARG 60 Ca 0.03 -0.54 -0.01 0.00 -0.47 0.00 0.00 55.73 54.74 2kb4 s ARG 60 Cb -0.00 -2.60 0.03 0.00 -0.57 0.00 0.00 34.95 31.80 2kb4 s ARG 60 CO 0.03 0.67 0.00 -0.06 -1.08 0.00 0.00 175.30 174.85 2kb4 s PHE 61 N -0.83 0.73 0.11 5.89 0.08 0.62 -4.99 117.98 119.60 2kb4 s PHE 61 Ca 0.13 -0.25 -0.23 0.00 0.12 0.00 0.00 56.93 56.70 2kb4 s PHE 61 Cb -0.11 -0.84 -0.07 0.00 -0.57 0.00 0.00 43.02 41.43 2kb4 s PHE 61 CO 0.02 -0.36 0.68 -1.17 -0.10 0.00 0.00 175.22 174.28 2kb4 s LEU 62 N 1.95 4.55 -0.26 -0.37 0.20 -1.26 -0.39 118.68 123.10 2kb4 s LEU 62 Ca 0.04 1.45 -0.29 0.00 0.69 0.00 0.00 54.13 56.03 2kb4 s LEU 62 Cb -0.13 -3.10 -0.02 0.00 -0.43 0.00 0.00 46.19 42.51 2kb4 s LEU 62 CO -0.06 0.23 1.55 -0.76 -0.29 0.00 0.00 176.35 177.02 2kb4 s LEU 63 N -1.05 3.83 -0.03 -0.68 1.43 -0.51 -4.77 118.68 116.91 2kb4 s LEU 63 Ca 0.33 1.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 2kb4 s LEU 63 Cb -0.21 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2kb4 s LEU 63 CO 0.23 -1.28 0.00 -0.67 0.23 0.00 0.00 176.35 174.86 2kb4 n ASP 64 N 8.48 4.22 -4.76 2.29 2.03 -1.26 -4.79 116.55 122.76 2kb4 n ASP 64 Ca 0.18 -0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.12 2kb4 n ASP 64 Cb 0.46 0.42 -0.07 0.00 -0.72 0.00 0.00 41.12 41.21 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2kb4 s GLN 65 N -2.06 4.11 0.58 -0.67 0.74 -1.26 -3.78 119.66 117.32 2kb4 s GLN 65 Ca -0.02 0.05 0.28 0.00 0.05 0.00 0.00 55.36 55.72 2kb4 s GLN 65 Cb 0.01 -3.38 1.50 0.00 1.10 0.00 0.00 33.01 32.25 2kb4 s GLN 65 CO 0.10 0.36 1.95 -1.00 -0.55 0.00 0.00 175.29 176.15 2kb4 h PRO 66 N 6.28 0.00 -3.31 1.67 0.13 -1.92 -3.16 132.00 131.68 2kb4 h PRO 66 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 2kb4 h PRO 66 Cb 1.18 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2kb4 h PRO 66 CO 0.72 0.00 -0.76 0.99 -0.23 0.00 0.00 178.00 178.72 2kb4 s THR 67 N -4.68 0.75 -0.34 1.56 2.01 -1.26 -1.23 115.64 112.44 2kb4 s THR 67 Ca -0.04 -1.47 -0.22 0.00 0.31 0.00 0.00 61.69 60.27 2kb4 s THR 67 Cb 0.16 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 71.11 2kb4 s THR 67 CO 0.58 -0.73 0.72 -0.89 -0.69 0.00 0.00 174.62 173.60 2kb4 s THR 68 N 1.50 4.82 -0.23 -0.82 2.01 0.49 -4.93 115.64 118.48 2kb4 s THR 68 Ca 0.11 0.84 -0.06 0.00 0.31 0.00 0.00 61.69 62.89 2kb4 s THR 68 Cb -0.18 -4.13 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2kb4 s THR 68 CO -0.22 -0.32 0.03 0.28 -0.69 0.00 0.00 174.62 173.70 2kb4 s THR 69 N 2.88 4.05 -0.31 -0.82 -1.32 -1.26 -0.12 115.64 118.74 2kb4 s THR 69 Ca 0.28 -0.26 -0.09 0.00 -1.21 0.00 0.00 61.69 60.41 2kb4 s THR 69 Cb -0.14 -2.87 -0.00 0.00 -1.51 0.00 0.00 72.50 67.98 2kb4 s THR 69 CO 0.15 0.38 0.15 0.00 -2.21 0.00 0.00 174.62 173.09 2kb4 s ALA 70 N 1.39 3.26 0.00 11.08 0.00 0.79 -2.52 121.76 135.75 2kb4 s ALA 70 Ca 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2kb4 s ALA 70 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.61 2kb4 s ALA 70 CO 0.02 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.26 2kb4 n GLY 71 N 4.97 -0.75 3.64 0.00 0.00 -1.21 -0.59 105.19 111.26 2kb4 n GLY 71 Ca -0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 2kb4 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb4 s ARG 72 N -0.47 0.11 -0.05 1.61 6.06 -1.26 -1.26 118.95 123.69 2kb4 s ARG 72 Ca 0.00 0.10 -0.09 0.00 -2.50 0.00 0.00 55.73 53.23 2kb4 s ARG 72 Cb 0.00 0.05 -0.03 0.00 0.06 0.00 0.00 34.95 35.03 2kb4 s ARG 72 CO 0.00 -0.02 -0.18 0.72 -2.50 0.00 0.00 175.30 173.32 2kb4 n HIS 73 N 1.34 0.00 -0.19 5.12 8.25 -1.26 -4.59 115.22 123.89 2kb4 n HIS 73 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 2kb4 n HIS 73 Cb 0.57 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.44 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kb4 h PRO 74 N -0.51 1.00 -2.43 -0.41 0.11 -2.00 -3.33 132.00 124.42 2kb4 h PRO 74 Ca 0.00 -0.34 -0.59 0.00 0.11 0.00 0.00 66.00 65.17 2kb4 h PRO 74 Cb 0.51 -0.08 -0.40 0.00 0.11 0.00 0.00 31.00 31.14 2kb4 h PRO 74 CO 0.00 1.02 -0.82 -1.91 -0.21 0.00 0.00 178.00 176.09 2kb4 n GLU 75 N -4.21 1.25 -4.00 1.05 2.13 -1.26 -4.71 120.64 110.90 2kb4 n GLU 75 Ca 0.02 -3.86 -0.24 0.00 0.66 0.00 0.00 57.16 53.74 2kb4 n GLU 75 Cb 0.36 -1.85 -0.06 0.00 0.27 0.00 0.00 31.44 30.16 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kb4 s SER 76 N -1.18 4.57 -0.05 4.31 1.04 -1.25 -4.95 113.70 116.18 2kb4 s SER 76 Ca 0.33 -1.02 -0.06 0.00 0.48 0.00 0.00 55.95 55.68 2kb4 s SER 76 Cb 0.07 -0.45 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 2kb4 s SER 76 CO -0.13 -0.59 -0.14 -0.67 0.98 0.00 0.00 173.24 172.69 2kb4 n ASP 77 N -1.33 1.15 -4.30 7.02 -0.08 -1.05 -4.94 116.55 113.03 2kb4 n ASP 77 Ca -0.00 0.18 -0.23 0.00 -1.51 0.00 0.00 54.79 53.23 2kb4 n ASP 77 Cb 0.64 -0.42 -0.12 0.00 2.34 0.00 0.00 41.12 43.56 2kb4 n ASP 77 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 2kb4 s ILE 78 N -2.29 1.72 -0.24 5.18 -4.36 -1.13 -5.02 121.20 115.06 2kb4 s ILE 78 Ca -0.13 -1.69 -0.03 0.00 -0.26 0.00 0.00 60.65 58.53 2kb4 s ILE 78 Cb 0.03 -1.66 0.01 0.00 1.25 0.00 0.00 42.46 42.10 2kb4 s ILE 78 CO 0.18 -0.18 -0.04 -0.36 0.24 0.00 0.00 174.94 174.78 2kb4 s PHE 79 N -1.56 3.02 -0.47 1.37 0.40 -1.26 -3.28 117.98 116.19 2kb4 s PHE 79 Ca 0.10 -1.19 -0.28 0.00 -0.60 0.00 0.00 56.93 54.96 2kb4 s PHE 79 Cb -0.08 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.35 2kb4 s PHE 79 CO 0.05 -0.63 1.50 -0.51 0.70 0.00 0.00 175.22 176.33 2kb4 s LEU 80 N 1.42 3.48 0.00 -0.37 1.02 -1.26 -4.12 118.68 118.85 2kb4 s LEU 80 Ca 0.03 0.65 0.27 0.00 0.02 0.00 0.00 54.13 55.11 2kb4 s LEU 80 Cb -0.15 -3.28 1.50 0.00 0.02 0.00 0.00 46.19 44.28 2kb4 s LEU 80 CO -0.03 -1.65 1.98 -0.67 0.02 0.00 0.00 176.35 176.00 2kb4 n ASP 81 N 9.62 0.32 -4.98 2.29 2.03 -1.25 -4.79 116.55 119.78 2kb4 n ASP 81 Ca 0.16 -1.23 -0.20 0.00 0.52 0.00 0.00 54.79 54.04 2kb4 n ASP 81 Cb 0.49 -0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb4 s ASP 82 N -1.86 5.98 0.49 1.67 2.15 -1.26 -4.98 116.67 118.86 2kb4 s ASP 82 Ca 0.40 -0.05 0.32 0.00 0.43 0.00 0.00 52.55 53.65 2kb4 s ASP 82 Cb 0.19 -1.38 1.31 0.00 -0.30 0.00 0.00 42.92 42.74 2kb4 s ASP 82 CO 0.32 -0.45 1.93 1.62 -0.17 0.00 0.00 175.17 178.42 2kb4 h VAL 83 N 0.81 0.00 0.00 1.11 3.04 -2.04 -3.15 116.25 116.03 2kb4 h VAL 83 Ca -0.47 -0.44 0.00 0.00 -1.01 0.00 0.00 66.70 64.79 2kb4 h VAL 83 Cb 1.25 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2kb4 h VAL 83 CO 0.55 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.46 2kb4 n THR 84 N -2.90 0.00 -2.81 3.17 -2.24 -1.26 -4.80 114.28 103.44 2kb4 n THR 84 Ca 0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 2kb4 n THR 84 Cb 0.28 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kb4 s VAL 85 N -1.86 4.85 0.71 2.28 0.11 -1.19 -4.88 120.40 120.42 2kb4 s VAL 85 Ca 0.00 1.80 -0.07 0.00 -2.93 0.00 0.00 61.98 60.78 2kb4 s VAL 85 Cb 0.00 -4.21 0.06 0.00 -1.53 0.00 0.00 36.38 30.70 2kb4 s VAL 85 CO 0.00 0.04 1.03 -0.55 -3.33 0.00 0.00 175.10 172.28 2kb4 s SER 86 N 1.10 4.87 0.26 3.54 0.15 -1.26 -4.98 113.70 117.38 2kb4 s SER 86 Ca 0.43 0.54 -0.03 0.00 0.70 0.00 0.00 55.95 57.59 2kb4 s SER 86 Cb -0.17 -1.21 0.40 0.00 -1.71 0.00 0.00 66.02 63.33 2kb4 s SER 86 CO 0.15 -1.58 1.86 0.03 1.20 0.00 0.00 173.24 174.91 2kb4 h ARG 87 N -0.62 1.03 -3.05 5.44 3.08 -1.93 -3.39 114.38 114.94 2kb4 h ARG 87 Ca -0.45 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.34 2kb4 h ARG 87 Cb 1.31 -0.23 -0.30 0.00 0.08 0.00 0.00 29.97 30.83 2kb4 h ARG 87 CO 0.61 0.68 -0.51 -0.98 -1.07 0.00 0.00 179.97 178.71 2kb4 s ARG 88 N -6.04 0.18 0.00 0.04 3.03 -1.23 -4.06 118.95 110.88 2kb4 s ARG 88 Ca -0.12 0.52 0.00 0.00 2.03 0.00 0.00 55.73 58.15 2kb4 s ARG 88 Cb 0.20 -0.13 0.00 0.00 -1.03 0.00 0.00 34.95 33.99 2kb4 s ARG 88 CO 0.80 -0.17 0.00 1.58 -1.13 0.00 0.00 175.30 176.38 2kb4 n HIS 89 N 4.29 0.00 -4.04 5.89 -0.00 -0.39 -3.47 115.22 117.49 2kb4 n HIS 89 Ca -0.24 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.60 2kb4 n HIS 89 Cb 0.53 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.24 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -3.02 2.50 -0.17 1.57 0.00 0.24 -0.53 121.76 122.35 2kb4 s ALA 90 Ca 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 2kb4 s ALA 90 Cb 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 2kb4 s ALA 90 CO 0.00 -0.43 -0.04 -2.00 0.00 0.00 0.00 175.76 173.30 2kb4 s GLU 91 N 1.34 3.59 -0.29 0.00 2.12 -0.81 -0.15 118.70 124.50 2kb4 s GLU 91 Ca 0.05 -0.55 -0.04 0.00 0.36 0.00 0.00 54.97 54.79 2kb4 s GLU 91 Cb -0.14 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.33 2kb4 s GLU 91 CO -0.09 0.12 0.02 -0.06 -0.54 0.00 0.00 175.26 174.71 2kb4 s PHE 92 N 0.68 3.17 -0.05 5.30 0.08 0.82 -1.25 117.98 126.74 2kb4 s PHE 92 Ca -0.02 -1.47 -0.03 0.00 0.12 0.00 0.00 56.93 55.53 2kb4 s PHE 92 Cb -0.14 -2.16 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 2kb4 s PHE 92 CO 0.02 -0.71 0.12 0.50 -0.10 0.00 0.00 175.22 175.05 2kb4 s ARG 93 N 1.36 3.29 -0.04 0.44 3.52 0.11 -0.38 118.95 127.26 2kb4 s ARG 93 Ca -0.01 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.33 2kb4 s ARG 93 Cb -0.18 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 2kb4 s ARG 93 CO -0.01 0.70 -0.17 0.96 -0.81 0.00 0.00 175.30 175.98 2kb4 s ILE 94 N -1.15 2.83 0.08 4.11 -5.25 -0.37 -1.17 121.20 120.28 2kb4 s ILE 94 Ca 0.21 -0.84 0.09 0.00 -0.99 0.00 0.00 60.65 59.11 2kb4 s ILE 94 Cb -0.12 -2.09 -0.03 0.00 2.95 0.00 0.00 42.46 43.16 2kb4 s ILE 94 CO 0.11 0.57 -0.23 0.21 -1.79 0.00 0.00 174.94 173.80 2kb4 s ASN 95 N -0.77 3.49 0.00 4.36 3.84 0.05 -4.87 114.94 121.03 2kb4 s ASN 95 Ca 0.11 -0.59 0.00 0.00 0.21 0.00 0.00 52.86 52.59 2kb4 s ASN 95 Cb -0.10 -0.39 0.00 0.00 -0.55 0.00 0.00 41.25 40.20 2kb4 s ASN 95 CO 0.01 0.22 0.00 -1.84 -2.79 0.00 0.00 177.10 172.70 2kb4 n GLU 96 N 1.31 0.00 0.00 0.43 0.28 -1.26 -2.60 120.64 118.80 2kb4 n GLU 96 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.83 2kb4 n GLU 96 Cb 0.52 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.08 2kb4 n GLU 96 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kb4 n GLY 97 N 0.82 0.15 3.47 -1.84 0.00 -1.26 -5.12 105.19 101.42 2kb4 n GLY 97 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -0.92 1.71 -0.12 1.61 2.02 -1.07 -5.15 118.70 116.78 2kb4 s GLU 98 Ca 0.00 -1.96 0.02 0.00 0.02 0.00 0.00 54.97 53.04 2kb4 s GLU 98 Cb 0.00 -0.90 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 2kb4 s GLU 98 CO 0.00 -0.21 -0.18 -0.06 0.02 0.00 0.00 175.26 174.83 2kb4 s PHE 99 N -3.25 2.70 -0.17 1.61 0.08 -1.26 -0.77 117.98 116.92 2kb4 s PHE 99 Ca 0.35 -0.87 0.01 0.00 0.12 0.00 0.00 56.93 56.53 2kb4 s PHE 99 Cb 0.08 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.76 2kb4 s PHE 99 CO 0.15 -0.34 -0.17 -2.00 -0.10 0.00 0.00 175.22 172.77 2kb4 s GLU 100 N 0.41 2.64 -0.10 0.44 2.12 -0.32 -2.42 118.70 121.48 2kb4 s GLU 100 Ca -0.13 -0.73 0.03 0.00 0.36 0.00 0.00 54.97 54.50 2kb4 s GLU 100 Cb -0.17 -2.38 0.00 0.00 0.26 0.00 0.00 34.13 31.85 2kb4 s GLU 100 CO 0.06 -0.24 -0.21 0.14 -0.54 0.00 0.00 175.26 174.47 2kb4 s VAL 101 N 1.37 1.85 -0.04 3.70 -7.23 -0.36 0.07 120.40 119.77 2kb4 s VAL 101 Ca 0.04 -0.89 0.07 0.00 -1.81 0.00 0.00 61.98 59.39 2kb4 s VAL 101 Cb -0.13 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 2kb4 s VAL 101 CO -0.12 0.51 -0.25 0.68 -0.31 0.00 0.00 175.10 175.62 2kb4 s VAL 102 N 0.52 2.08 -0.46 1.32 -7.23 -0.38 -0.87 120.40 115.37 2kb4 s VAL 102 Ca -0.16 -1.08 -0.20 0.00 -1.81 0.00 0.00 61.98 58.74 2kb4 s VAL 102 Cb -0.17 -1.73 0.04 0.00 0.56 0.00 0.00 36.38 35.07 2kb4 s VAL 102 CO 0.06 0.57 0.64 -0.62 -0.31 0.00 0.00 175.10 175.44 2kb4 s ASP 103 N -0.37 6.28 0.00 4.85 2.15 0.19 -1.93 116.67 127.84 2kb4 s ASP 103 Ca 0.03 -0.55 0.06 0.00 0.43 0.00 0.00 52.55 52.52 2kb4 s ASP 103 Cb -0.12 -2.31 0.12 0.00 -0.30 0.00 0.00 42.92 40.31 2kb4 s ASP 103 CO 0.02 -0.82 0.95 1.33 -0.17 0.00 0.00 175.17 176.47 2kb4 n VAL 104 N 5.76 0.55 -1.46 1.11 0.24 -0.30 -4.53 118.33 119.70 2kb4 n VAL 104 Ca -0.03 -0.77 -0.26 0.00 -2.04 0.00 0.00 64.34 61.24 2kb4 n VAL 104 Cb 0.47 0.79 0.11 0.00 -1.47 0.00 0.00 33.84 33.74 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N 0.22 5.54 0.00 7.63 0.00 0.31 -4.65 105.19 114.23 2kb4 n GLY 105 Ca 0.05 -1.95 0.02 0.00 0.00 0.00 0.00 46.02 44.14 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.96 0.00 0.04 1.61 7.64 -1.26 -0.14 113.62 120.55 2kb4 n SER 106 Ca 0.54 -0.39 -0.05 0.00 1.01 0.00 0.00 58.87 59.98 2kb4 n SER 106 Cb 0.99 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.34 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 0.00 0.44 0.00 -3.43 4.07 -1.96 -3.36 115.31 111.07 2kb4 h LEU 107 Ca 0.00 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 2kb4 h LEU 107 Cb 0.00 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.61 2kb4 h LEU 107 CO 0.00 0.80 -1.07 -3.20 -1.08 0.00 0.00 178.44 173.89 2kb4 n ASN 108 N -4.02 3.88 0.00 -0.43 2.85 -0.51 -5.14 115.26 111.88 2kb4 n ASN 108 Ca -0.02 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2kb4 n ASN 108 Cb 0.50 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.50 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kb4 n GLY 109 N 3.44 2.48 3.46 8.20 0.00 0.80 -4.88 105.19 118.68 2kb4 n GLY 109 Ca -0.02 -1.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -1.19 3.96 -0.15 2.61 2.01 -1.26 -1.87 115.64 119.75 2kb4 s THR 110 Ca 0.00 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.62 2kb4 s THR 110 Cb 0.00 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.69 2kb4 s THR 110 CO 0.00 0.44 0.06 -0.31 -0.69 0.00 0.00 174.62 174.12 2kb4 s TYR 111 N 0.90 3.31 -0.09 4.92 1.51 0.08 -3.77 117.35 124.21 2kb4 s TYR 111 Ca 0.01 0.20 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 2kb4 s TYR 111 Cb -0.14 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.74 2kb4 s TYR 111 CO 0.02 0.36 -0.15 0.54 -1.11 0.00 0.00 175.55 175.20 2kb4 s VAL 112 N -0.24 1.44 -1.62 0.71 0.11 0.73 0.25 120.40 121.79 2kb4 s VAL 112 Ca 0.08 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 2kb4 s VAL 112 Cb -0.12 -1.31 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 2kb4 s VAL 112 CO 0.01 0.43 0.00 0.59 -3.33 0.00 0.00 175.10 172.80 2kb4 n ASN 113 N 3.99 -4.90 0.00 3.54 4.13 -0.33 -0.70 115.26 120.99 2kb4 n ASN 113 Ca -0.20 0.29 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2kb4 n ASN 113 Cb 0.52 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kb4 n ARG 114 N -2.54 -0.19 -4.66 3.52 5.12 -1.26 -5.03 116.66 111.63 2kb4 n ARG 114 Ca -0.17 0.05 -0.33 0.00 -1.93 0.00 0.00 57.85 55.47 2kb4 n ARG 114 Cb 0.56 -3.12 -0.14 0.00 -1.16 0.00 0.00 32.46 28.61 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2kb4 s GLU 115 N -0.27 3.48 -0.40 5.56 2.12 0.12 -4.98 118.70 124.33 2kb4 s GLU 115 Ca 0.00 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.41 2kb4 s GLU 115 Cb 0.00 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.67 2kb4 s GLU 115 CO 0.00 0.23 1.41 -1.25 -0.54 0.00 0.00 175.26 175.11 2kb4 s PRO 116 N 0.34 3.60 0.14 4.30 0.04 -1.26 -0.19 135.00 141.97 2kb4 s PRO 116 Ca -0.09 0.97 0.07 0.00 0.04 0.00 0.00 61.00 62.00 2kb4 s PRO 116 Cb -0.15 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2kb4 s PRO 116 CO 0.05 -1.54 -0.17 0.50 0.04 0.00 0.00 177.00 175.88 2kb4 s ARG 117 N 4.90 1.16 -0.15 4.56 3.52 -1.25 -4.99 118.95 126.70 2kb4 s ARG 117 Ca 0.61 -1.32 -0.27 0.00 -0.13 0.00 0.00 55.73 54.62 2kb4 s ARG 117 Cb -0.14 -1.16 -0.24 0.00 -1.56 0.00 0.00 34.95 31.85 2kb4 s ARG 117 CO 0.32 0.23 0.66 -0.97 -0.81 0.00 0.00 175.30 174.74 2kb4 h ASN 118 N 3.41 0.00 -4.17 -2.12 -0.00 -1.92 -3.39 115.58 107.40 2kb4 h ASN 118 Ca -0.41 -0.89 -0.46 0.00 -0.00 0.00 0.00 56.30 54.53 2kb4 h ASN 118 Cb 1.20 0.00 -0.29 0.00 -0.00 0.00 0.00 38.32 39.23 2kb4 h ASN 118 CO 0.50 1.03 -0.80 0.00 -0.00 0.00 0.00 177.43 178.16 2kb4 s ALA 119 N -2.25 1.06 0.02 1.57 0.00 -1.26 -0.63 121.76 120.26 2kb4 s ALA 119 Ca -0.19 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2kb4 s ALA 119 Cb -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 2kb4 s ALA 119 CO 0.64 0.26 -0.03 -1.14 0.00 0.00 0.00 175.76 175.50 2kb4 s GLN 120 N -0.32 0.27 -0.30 0.00 2.00 -0.05 -5.00 119.66 116.24 2kb4 s GLN 120 Ca 0.05 -0.50 -0.22 0.00 -2.00 0.00 0.00 55.36 52.69 2kb4 s GLN 120 Cb -0.05 0.06 -0.00 0.00 0.80 0.00 0.00 33.01 33.82 2kb4 s GLN 120 CO -0.00 -0.03 0.72 0.08 -0.50 0.00 0.00 175.29 175.55 2kb4 s VAL 121 N -1.17 4.85 -0.14 1.34 1.01 -1.26 -1.22 120.40 123.81 2kb4 s VAL 121 Ca -0.12 1.05 -0.33 0.00 0.00 0.00 0.00 61.98 62.58 2kb4 s VAL 121 Cb -0.08 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.11 2kb4 s VAL 121 CO -0.01 -0.20 2.00 0.80 0.00 0.00 0.00 175.10 177.69 2kb4 n MET 122 N 6.06 2.05 -4.12 2.72 1.56 -1.02 -4.95 117.12 119.44 2kb4 n MET 122 Ca 0.02 0.70 -0.34 0.00 -0.27 0.00 0.00 57.70 57.81 2kb4 n MET 122 Cb 0.48 -2.77 -0.10 0.00 2.15 0.00 0.00 33.22 32.98 2kb4 n MET 122 CO 0.00 0.00 0.00 -1.14 -0.73 0.00 0.00 175.97 174.10 2kb4 s GLN 123 N 4.87 3.89 -0.02 2.12 0.74 -1.26 -4.85 119.66 125.15 2kb4 s GLN 123 Ca 0.96 -0.39 -0.30 0.00 0.05 0.00 0.00 55.36 55.68 2kb4 s GLN 123 Cb -0.62 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.33 2kb4 s GLN 123 CO 0.47 0.26 1.00 -0.08 -0.55 0.00 0.00 175.29 176.39 2kb4 s THR 124 N 0.38 4.80 0.00 -0.34 -1.32 -1.26 -3.32 115.64 114.58 2kb4 s THR 124 Ca 0.01 2.02 0.00 0.00 -1.21 0.00 0.00 61.69 62.51 2kb4 s THR 124 Cb -0.13 -4.29 0.00 0.00 -1.51 0.00 0.00 72.50 66.57 2kb4 s THR 124 CO 0.01 0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 2kb4 n GLY 125 N 2.96 0.95 3.98 6.08 0.00 0.11 -4.95 105.19 114.32 2kb4 n GLY 125 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 2kb4 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb4 s ASP 126 N -1.92 5.31 -0.04 1.61 1.01 -1.21 -4.87 116.67 116.57 2kb4 s ASP 126 Ca 0.00 -0.66 0.01 0.00 0.71 0.00 0.00 52.55 52.61 2kb4 s ASP 126 Cb 0.00 -0.34 -0.03 0.00 1.01 0.00 0.00 42.92 43.56 2kb4 s ASP 126 CO 0.00 -0.89 -0.02 -1.83 0.21 0.00 0.00 175.17 172.64 2kb4 s GLU 127 N -4.37 2.81 -0.21 8.23 -1.05 -1.26 -2.10 118.70 120.76 2kb4 s GLU 127 Ca 0.53 -0.55 0.01 0.00 -0.15 0.00 0.00 54.97 54.81 2kb4 s GLU 127 Cb -0.07 -2.67 0.05 0.00 -0.44 0.00 0.00 34.13 30.99 2kb4 s GLU 127 CO 0.32 0.65 -0.09 0.42 0.95 0.00 0.00 175.26 177.51 2kb4 s ILE 128 N -0.97 1.68 -0.27 1.83 1.09 0.93 -1.19 121.20 124.30 2kb4 s ILE 128 Ca 0.16 -1.12 -0.09 0.00 -1.10 0.00 0.00 60.65 58.50 2kb4 s ILE 128 Cb -0.11 -1.80 -0.04 0.00 -1.06 0.00 0.00 42.46 39.45 2kb4 s ILE 128 CO 0.06 0.09 0.14 -1.10 -0.10 0.00 0.00 174.94 174.03 2kb4 s GLN 129 N 1.36 3.77 -0.63 2.79 -0.21 0.14 -1.45 119.66 125.43 2kb4 s GLN 129 Ca -0.03 -0.42 -0.21 0.00 0.02 0.00 0.00 55.36 54.72 2kb4 s GLN 129 Cb -0.17 -3.51 0.09 0.00 1.00 0.00 0.00 33.01 30.42 2kb4 s GLN 129 CO -0.07 -0.20 0.84 0.96 -2.12 0.00 0.00 175.29 174.69 2kb4 s ILE 130 N 1.69 4.58 0.00 1.08 -4.36 -0.24 -0.74 121.20 123.20 2kb4 s ILE 130 Ca 0.07 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 2kb4 s ILE 130 Cb -0.16 -4.59 0.00 0.00 1.25 0.00 0.00 42.46 38.96 2kb4 s ILE 130 CO 0.07 -1.30 0.00 0.61 0.24 0.00 0.00 174.94 174.57 2kb4 n GLY 131 N 5.30 2.12 0.27 6.27 0.00 -0.78 -2.01 105.19 116.37 2kb4 n GLY 131 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.93 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 0.24 -4.01 1.61 5.02 -1.26 -4.79 118.16 114.97 2kb4 n LYS 132 Ca 0.00 -0.96 -0.35 0.00 -2.02 0.00 0.00 58.31 54.98 2kb4 n LYS 132 Cb 0.00 -0.60 -0.09 0.00 -0.02 0.00 0.00 35.03 34.32 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb4 s PHE 133 N -0.26 3.28 -0.25 2.13 0.08 -0.85 -5.02 117.98 117.08 2kb4 s PHE 133 Ca 0.02 0.12 -0.15 0.00 0.12 0.00 0.00 56.93 57.04 2kb4 s PHE 133 Cb 0.02 -2.05 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 2kb4 s PHE 133 CO 0.00 0.22 0.38 0.50 -0.10 0.00 0.00 175.22 176.22 2kb4 s ARG 134 N 0.19 4.07 0.04 0.44 3.52 -1.00 -1.08 118.95 125.12 2kb4 s ARG 134 Ca 0.05 0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.82 2kb4 s ARG 134 Cb -0.12 -3.62 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 2kb4 s ARG 134 CO 0.00 -0.20 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.55 2kb4 s LEU 135 N 1.82 2.15 -0.07 -0.88 1.02 -0.53 -1.91 118.68 120.28 2kb4 s LEU 135 Ca 0.16 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.80 2kb4 s LEU 135 Cb -0.15 -1.16 0.01 0.00 0.02 0.00 0.00 46.19 44.90 2kb4 s LEU 135 CO 0.09 0.23 -0.15 0.54 0.02 0.00 0.00 176.35 177.08 2kb4 s VAL 136 N -0.76 1.32 -0.22 -1.59 0.11 -0.36 -0.05 120.40 118.85 2kb4 s VAL 136 Ca 0.10 -0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 58.42 2kb4 s VAL 136 Cb -0.09 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2kb4 s VAL 136 CO 0.02 0.40 0.28 0.12 -3.33 0.00 0.00 175.10 172.58 2kb4 s PHE 137 N 0.53 3.35 0.03 1.54 5.36 -0.89 -0.59 117.98 127.30 2kb4 s PHE 137 Ca -0.14 0.42 0.05 0.00 -0.96 0.00 0.00 56.93 56.30 2kb4 s PHE 137 Cb -0.16 -2.39 -0.02 0.00 -0.34 0.00 0.00 43.02 40.11 2kb4 s PHE 137 CO 0.04 0.03 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.17 2kb4 s LEU 138 N 1.17 2.14 -1.06 6.12 2.01 0.75 0.10 118.68 129.91 2kb4 s LEU 138 Ca 0.13 -0.43 -0.18 0.00 0.01 0.00 0.00 54.13 53.66 2kb4 s LEU 138 Cb -0.14 -0.72 0.12 0.00 0.01 0.00 0.00 46.19 45.46 2kb4 s LEU 138 CO 0.06 0.09 1.33 0.00 1.01 0.00 0.00 176.35 178.84 2kb4 s ALA 139 N -0.72 3.43 1.05 4.21 0.00 -1.26 -1.44 121.76 127.03 2kb4 s ALA 139 Ca 0.04 -2.87 -0.08 0.00 0.00 0.00 0.00 51.96 49.05 2kb4 s ALA 139 Cb -0.08 -4.21 0.11 0.00 0.00 0.00 0.00 23.12 18.94 2kb4 s ALA 139 CO 0.01 -3.06 0.51 0.41 0.00 0.00 0.00 175.76 173.63 2kb4 n GLY 140 N 5.33 -1.89 3.76 0.00 0.00 -1.26 -5.00 105.19 106.13 2kb4 n GLY 140 Ca 0.32 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 2kb4 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb4 s PRO 141 N -4.13 4.50 -0.49 1.61 0.04 -1.26 -5.00 135.00 130.27 2kb4 s PRO 141 Ca 0.31 1.97 -0.16 0.00 0.04 0.00 0.00 61.00 63.16 2kb4 s PRO 141 Cb -0.02 -3.11 0.09 0.00 0.04 0.00 0.00 34.50 31.49 2kb4 s PRO 141 CO 0.22 0.02 0.43 0.00 0.04 0.00 0.00 177.00 177.72 2kb4 s ALA 142 N -1.17 3.57 -2.81 8.56 0.00 -1.26 -4.96 121.76 123.69 2kb4 s ALA 142 Ca 0.47 -2.20 0.25 0.00 0.00 0.00 0.00 51.96 50.49 2kb4 s ALA 142 Cb -0.35 -3.13 0.51 0.00 0.00 0.00 0.00 23.12 20.15 2kb4 s ALA 142 CO 0.46 -1.81 1.44 -1.91 0.00 0.00 0.00 175.76 173.94